*HEADER    TRANSCRIPTION                           26-JAN-15   2RUY              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF10) 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 768-797;                                      
*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: P060718-04                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RUY    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,83,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=87,92,90,91, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=89,94,98,93, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=85,102,88,89, &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=104,123,107,108, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=125,144,128,129, &end
#
#  chirality for residue 13 atoms:  CA OG HB2 HB3
 &rst iat=158,163,161,162, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=156,165,159,160, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=169,174,172,173, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=171,177,175,176, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=167,182,170,171, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=196,201,199,200, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=194,209,197,198, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=213,218,216,217, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=211,230,214,215, &end
#
#  chirality for residue 18 atoms:  CA OG HB2 HB3
 &rst iat=234,239,237,238, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=232,241,235,236, &end
#
#  chirality for residue 19 atoms:  CA OG HB2 HB3
 &rst iat=245,250,248,249, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=243,252,246,247, &end
#
#  chirality for residue 20 atoms:  CA CG2 CG1 HB
 &rst iat=256,260,264,259, &end
#
#  chirality for residue 20 atoms:  CB CD1 HG12 HG13
 &rst iat=258,267,265,266, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=254,271,257,258, &end
#
#  chirality for residue 21 atoms:  CA CG2 OG1 HB
 &rst iat=275,279,283,278, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=273,285,276,277, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=289,294,292,293, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=291,297,295,296, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=297,303,301,302, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=294,300,298,299, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=287,307,290,291, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=311,316,314,315, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=309,321,312,313, &end
#
#  chirality for residue 24 atoms:  CA SG HB2 HB3
 &rst iat=325,330,328,329, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=323,332,326,327, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=336,341,339,340, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=338,343,347,342, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=334,351,337,338, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=355,360,358,359, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=357,363,361,362, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=363,369,367,368, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=353,373,356,357, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=377,382,380,381, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=379,385,383,384, &end
#
#  chirality for residue 27 atoms:  CG NE HD2 HD3
 &rst iat=382,388,386,387, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=375,397,378,379, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=401,406,404,405, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=399,414,402,403, &end
#
#  chirality for residue 29 atoms:  CA CG1 CG2 HB
 &rst iat=418,422,426,421, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=416,430,419,420, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=434,438,442,437, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=436,445,443,444, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=432,449,435,436, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=453,458,456,457, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=455,461,459,460, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=451,466,454,455, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=470,475,473,474, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=472,478,476,477, &end
#
#  chirality for residue 32 atoms:  CD NZ HE2 HE3
 &rst iat=478,484,482,483, &end
#
#  chirality for residue 32 atoms:  CG CE HD2 HD3
 &rst iat=475,481,479,480, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=468,488,471,472, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=492,497,495,496, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=490,505,493,494, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=509,514,512,513, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=507,516,510,511, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=520,525,523,524, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=518,530,521,522, &end
#
#  chirality for residue 36 atoms:  CA CG2 CG1 HB
 &rst iat=534,538,542,537, &end
#
#  chirality for residue 36 atoms:  CB CD1 HG12 HG13
 &rst iat=536,545,543,544, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=532,549,535,536, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=553,558,556,557, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=555,560,564,559, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=551,568,554,555, &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=87,85,83,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=106,104,102,87, &end
#
#  trans-omega constraint for residue 11
 &rst iat=127,125,123,106, &end
#
#  trans-omega constraint for residue 12
 &rst iat=148,146,144,127, &end
#
#  trans-omega constraint for residue 13
 &rst iat=158,156,154,148, &end
#
#  trans-omega constraint for residue 14
 &rst iat=169,167,165,158, &end
#
#  trans-omega constraint for residue 15
 &rst iat=186,184,182,169, &end
#
#  trans-omega constraint for residue 16
 &rst iat=196,194,192,186, &end
#
#  trans-omega constraint for residue 17
 &rst iat=213,211,209,196, &end
#
#  trans-omega constraint for residue 18
 &rst iat=234,232,230,213, &end
#
#  trans-omega constraint for residue 19
 &rst iat=245,243,241,234, &end
#
#  trans-omega constraint for residue 20
 &rst iat=256,254,252,245, &end
#
#  trans-omega constraint for residue 21
 &rst iat=275,273,271,256, &end
#
#  trans-omega constraint for residue 22
 &rst iat=289,287,285,275, &end
#
#  trans-omega constraint for residue 23
 &rst iat=311,309,307,289, &end
#
#  trans-omega constraint for residue 24
 &rst iat=325,323,321,311, &end
#
#  trans-omega constraint for residue 25
 &rst iat=336,334,332,325, &end
#
#  trans-omega constraint for residue 26
 &rst iat=355,353,351,336, &end
#
#  trans-omega constraint for residue 27
 &rst iat=377,375,373,355, &end
#
#  trans-omega constraint for residue 28
 &rst iat=401,399,397,377, &end
#
#  trans-omega constraint for residue 29
 &rst iat=418,416,414,401, &end
#
#  trans-omega constraint for residue 30
 &rst iat=434,432,430,418, &end
#
#  trans-omega constraint for residue 31
 &rst iat=453,451,449,434, &end
#
#  trans-omega constraint for residue 32
 &rst iat=470,468,466,453, &end
#
#  trans-omega constraint for residue 33
 &rst iat=492,490,488,470, &end
#
#  trans-omega constraint for residue 34
 &rst iat=509,507,505,492, &end
#
#  trans-omega constraint for residue 35
 &rst iat=520,518,516,509, &end
#
#  trans-omega constraint for residue 36
 &rst iat=534,532,530,520, &end
#
#  trans-omega constraint for residue 37
 &rst iat=553,551,549,534, &end
#
# 8 HIS HA 8 HIS HD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  82, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
# 8 HIS HA 9 LEU HN 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  86, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 8 HIS QB 9 LEU HN 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=  73,  74,
 &end
#
# 9 LEU HA 10 TYR HA 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 107, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 9 LEU HA 10 TYR HN 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 105, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 9 LEU HA 20 ILE HA 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 257, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 9 LEU HA 9 LEU QQD 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=  95,  96,  97,  99, 100, 101,
 &end
#
# 9 LEU HB2 10 TYR HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 105, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 9 LEU HB2 11 TYR QE 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 136, 141,
 &end
#
# 9 LEU HB3 10 TYR HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 105, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 9 LEU HB3 11 TYR QE 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 136, 141,
 &end
#
# 9 LEU HB3 18 SER QB 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 237, 238,
 &end
#
# 9 LEU HB3 19 SER HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 244, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 9 LEU HN 10 TYR HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 105, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 9 LEU HN 9 LEU HB2 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  90, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 9 LEU HN 9 LEU HG 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  93, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 9 LEU HN 9 LEU QQD 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=  95,  96,  97,  99, 100, 101,
 &end
#
# 9 LEU QQD 10 TYR HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=  95,  96,  97,  99, 100, 101,
 &end
#
# 9 LEU QQD 11 TYR QE 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1=  95,  96,  97,  99, 100, 101,
 igr2= 136, 141,
 &end
#
# 9 LEU QQD 18 SER QB 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  95,  96,  97,  99, 100, 101,
 igr2= 237, 238,
 &end
#
# 9 LEU QQD 20 ILE HA 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  95,  96,  97,  99, 100, 101,
 &end
#
# 9 LEU QQD 20 ILE QG2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=  95,  96,  97,  99, 100, 101,
 igr2= 261, 262, 263,
 &end
#
# 10 TYR HA 10 TYR QD 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 113, 122,
 &end
#
# 10 TYR HA 11 TYR HN 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 10 TYR HA 11 TYR QD 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 134, 143,
 &end
#
# 10 TYR HB2 11 TYR HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 10 TYR HB2 25 LEU QD2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR HB3 11 TYR HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 126, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 10 TYR HB3 25 LEU QD2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR HN 10 TYR HB2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 10 TYR HN 10 TYR HB3 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 10 TYR HN 10 TYR QB 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 109, 110,
 &end
#
# 10 TYR HN 10 TYR QD 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 113, 122,
 &end
#
# 10 TYR HN 19 SER HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 244, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 10 TYR HN 25 LEU QD2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR QB 25 LEU QB 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 109, 110,
 igr2= 339, 340,
 &end
#
# 10 TYR QB 25 LEU QD1 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 109, 110,
 igr2= 344, 345, 346,
 &end
#
# 10 TYR QB 25 LEU QD2 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 109, 110,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR QD 11 TYR HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS HA 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS QG 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 113, 122,
 igr2= 295, 296,
 &end
#
# 10 TYR QD 25 LEU QD2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 113, 122,
 igr2= 348, 349, 350,
 &end
#
# 11 TYR HA 11 TYR QD 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 134, 143,
 &end
#
# 11 TYR HA 12 CYM  HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 147, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 11 TYR HB2 12 CYM  HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 147, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 11 TYR HB3 12 CYM  HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 147, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 11 TYR HN 11 TYR HB2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 11 TYR HN 11 TYR HB3 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 11 TYR HN 11 TYR QD 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 134, 143,
 &end
#
# 11 TYR HN 25 LEU QD2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 348, 349, 350,
 &end
#
# 11 TYR QD 18 SER HB2 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 134, 143,
 &end
#
# 11 TYR QD 18 SER HB3 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 134, 143,
 &end
#
# 11 TYR QD 18 SER QB 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 134, 143,
 igr2= 237, 238,
 &end
#
# 11 TYR QE 18 SER QB 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 136, 141,
 igr2= 237, 238,
 &end
#
# 12 CYM  HA 25 LEU QD1 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 344, 345, 346,
 &end
#
# 12 CYM  HA 25 LEU QD2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HA 29 VAL QG2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 427, 428, 429,
 &end
#
# 12 CYM  HB2 15 CYM  HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 185, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 12 CYM  HB2 17 TYR HB3 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 217, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 12 CYM  HB2 17 TYR QD 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 220, 229,
 &end
#
# 12 CYM  HB2 25 LEU QD1 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 344, 345, 346,
 &end
#
# 12 CYM  HB2 28 HIS HD2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 413, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 185, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 12 CYM  HB3 17 TYR HB2 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 216, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 12 CYM  HB3 17 TYR HB3 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 217, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 12 CYM  HB3 17 TYR HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 212, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 12 CYM  HB3 17 TYR QD 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 220, 229,
 &end
#
# 12 CYM  HB3 25 LEU QD1 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 344, 345, 346,
 &end
#
# 12 CYM  HB3 25 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HB3 28 HIS HD2 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 413, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 151, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 12 CYM  HN 17 TYR HB3 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 217, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 12 CYM  HN 17 TYR QD 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 220, 229,
 &end
#
# 12 CYM  HN 25 LEU QD1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 344, 345, 346,
 &end
#
# 12 CYM  HN 25 LEU QD2 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 348, 349, 350,
 &end
#
# 14 GLN HA 14 GLN HG2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 175, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 14 GLN HA 14 GLN HG3 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 176, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 14 GLN HA 14 GLN QG 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 175, 176,
 &end
#
# 14 GLN HB2 15 CYM  HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 185, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 14 GLN HB2 33 HIS HE1 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 501, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 14 GLN HB3 15 CYM  HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 185, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 14 GLN HB3 33 HIS HE1 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 501, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 14 GLN HE21 29 VAL QG1 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 423, 424, 425,
 &end
#
# 14 GLN HE22 29 VAL QG1 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 423, 424, 425,
 &end
#
# 14 GLN HN 14 GLN HB2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 14 GLN HN 14 GLN HB3 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 14 GLN HN 14 GLN HG2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 14 GLN HN 14 GLN HG3 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 176, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 14 GLN HN 14 GLN QB 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 172, 173,
 &end
#
# 14 GLN HN 14 GLN QG 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 175, 176,
 &end
#
# 14 GLN HN 15 CYM  HN 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 14 GLN QB 15 CYM  HN 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 172, 173,
 &end
#
# 14 GLN QE2 29 VAL QG1 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 180, 181,
 igr2= 423, 424, 425,
 &end
#
# 14 GLN QE2 33 HIS QB 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 180, 181,
 igr2= 495, 496,
 &end
#
# 14 GLN QG 15 CYM  HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 175, 176,
 &end
#
# 15 CYM  HN 15 CYM  QB 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 190, 189,
 &end
#
# 15 CYM  HN 17 TYR HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 CYM  QB 33 HIS HE1 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 190, 189,
 &end
#
# 17 TYR HA 17 TYR QD 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 220, 229,
 &end
#
# 17 TYR HA 17 TYR QE 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 222, 227,
 &end
#
# 17 TYR HA 18 SER HN 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 233, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 17 TYR HB2 18 SER HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 233, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 17 TYR HB2 28 HIS HE1 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 410, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 17 TYR HB3 18 SER HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 233, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 17 TYR HB3 28 HIS HE1 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 410, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 17 TYR HN 17 TYR HB2 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 216, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 17 TYR HN 17 TYR HB3 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 217, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 17 TYR HN 17 TYR QD 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 220, 229,
 &end
#
# 17 TYR HN 18 SER HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 233, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 17 TYR QD 18 SER HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 25 LEU QD1 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 220, 229,
 igr2= 344, 345, 346,
 &end
#
# 17 TYR QD 25 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 220, 229,
 igr2= 348, 349, 350,
 &end
#
# 17 TYR QD 28 HIS HD2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 28 HIS HE1 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 28 HIS QB 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 220, 229,
 igr2= 404, 405,
 &end
#
# 17 TYR QE 19 SER HB2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 19 SER HB3 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 19 SER QB 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 222, 227,
 igr2= 248, 249,
 &end
#
# 17 TYR QE 25 LEU HA 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 25 LEU QD1 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 222, 227,
 igr2= 344, 345, 346,
 &end
#
# 17 TYR QE 25 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 222, 227,
 igr2= 348, 349, 350,
 &end
#
# 17 TYR QE 28 HIS HB2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 28 HIS HB3 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 222, 227,
 &end
#
# 18 SER QB 19 SER HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 237, 238,
 &end
#
# 19 SER HN 19 SER QB 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 248, 249,
 &end
#
# 20 ILE HA 20 ILE QD1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 268, 269, 270,
 &end
#
# 20 ILE HA 20 ILE QG2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 261, 262, 263,
 &end
#
# 20 ILE HB 20 ILE QD1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 268, 269, 270,
 &end
#
# 22 LYS HA 22 LYS QD 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 298, 299,
 &end
#
# 22 LYS HA 25 LEU HB2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 LYS HA 25 LEU HB3 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 LYS HA 25 LEU HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 335, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 22 LYS HA 25 LEU QB 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 339, 340,
 &end
#
# 22 LYS HA 25 LEU QD2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 348, 349, 350,
 &end
#
# 22 LYS QB 25 LEU QD2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 292, 293,
 igr2= 348, 349, 350,
 &end
#
# 25 LEU HA 25 LEU HN 2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 335, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 25 LEU HA 25 LEU QD1 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 344, 345, 346,
 &end
#
# 25 LEU HA 28 HIS HB2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 404, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 25 LEU HA 28 HIS HB3 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 405, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 25 LEU HA 28 HIS HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 400, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 25 LEU HA 29 VAL HN 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 417, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 25 LEU HB2 25 LEU QD1 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 344, 345, 346,
 &end
#
# 25 LEU HB2 25 LEU QD2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 348, 349, 350,
 &end
#
# 25 LEU HB2 26 LYS HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 25 LEU HB3 25 LEU QD1 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 344, 345, 346,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 348, 349, 350,
 &end
#
# 25 LEU HB3 26 LYS HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 354, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 25 LEU HG 26 LYS HA 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 356, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 25 LEU HG 29 VAL QG2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 427, 428, 429,
 &end
#
# 25 LEU HN 25 LEU HB2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 25 LEU HN 25 LEU HB3 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 340, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 25 LEU HN 25 LEU QD1 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 344, 345, 346,
 &end
#
# 25 LEU HN 25 LEU QD2 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 348, 349, 350,
 &end
#
# 25 LEU HN 26 LYS HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 354, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 25 LEU QB 26 LYS HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 339, 340,
 &end
#
# 25 LEU QD1 28 HIS HD2 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 344, 345, 346,
 &end
#
# 25 LEU QD1 28 HIS QB 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 344, 345, 346,
 igr2= 404, 405,
 &end
#
# 25 LEU QD1 29 VAL QG2 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 344, 345, 346,
 igr2= 427, 428, 429,
 &end
#
# 25 LEU QD2 28 HIS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 348, 349, 350,
 igr2= 404, 405,
 &end
#
# 26 LYS HA 26 LYS QD 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 364, 365,
 &end
#
# 26 LYS HA 26 LYS QG 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 361, 362,
 &end
#
# 26 LYS HA 29 VAL HB 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 421, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 26 LYS HA 29 VAL HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 417, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 26 LYS HA 29 VAL QG1 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 423, 424, 425,
 &end
#
# 26 LYS HA 29 VAL QG2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 427, 428, 429,
 &end
#
# 26 LYS HN 26 LYS QB 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 358, 359,
 &end
#
# 26 LYS HN 26 LYS QG 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 361, 362,
 &end
#
# 26 LYS HN 27 ARG HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 376, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 26 LYS QB 27 ARG HN 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 358, 359,
 &end
#
# 26 LYS QE 30 ILE QD1 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 367, 368,
 igr2= 446, 447, 448,
 &end
#
# 27 ARG HA 30 ILE HB 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 437, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 27 ARG HA 30 ILE HG12 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 443, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 27 ARG HA 30 ILE HG13 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 444, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 27 ARG HA 30 ILE HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 433, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 27 ARG HA 30 ILE QD1 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 446, 447, 448,
 &end
#
# 27 ARG HA 30 ILE QG1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 443, 444,
 &end
#
# 27 ARG HN 27 ARG QB 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 380, 381,
 &end
#
# 27 ARG HN 27 ARG QG 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 383, 384,
 &end
#
# 27 ARG HN 28 HIS HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 400, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 27 ARG QB 27 ARG QD 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 380, 381,
 igr2= 386, 387,
 &end
#
# 27 ARG QB 28 HIS HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 380, 381,
 &end
#
# 28 HIS HA 32 LYS HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 469, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 28 HIS HA 32 LYS QG 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 476, 477,
 &end
#
# 28 HIS HB2 29 VAL HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 417, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 28 HIS HB3 29 VAL HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 417, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 28 HIS HD2 29 VAL HA 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 419, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 28 HIS HD2 29 VAL HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 28 HIS HD2 29 VAL QG1 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 423, 424, 425,
 &end
#
# 28 HIS HD2 29 VAL QG2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 427, 428, 429,
 &end
#
# 28 HIS HD2 33 HIS HD2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 504, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 28 HIS HE1 32 LYS HB2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 473, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 28 HIS HE1 32 LYS HB3 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 474, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 28 HIS HE1 32 LYS QB 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 473, 474,
 &end
#
# 28 HIS HE1 32 LYS QD 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 479, 480,
 &end
#
# 28 HIS HE1 32 LYS QG 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 476, 477,
 &end
#
# 28 HIS HN 28 HIS HB2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 28 HIS HN 28 HIS HB3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 28 HIS HN 28 HIS QB 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 404, 405,
 &end
#
# 28 HIS HN 29 VAL HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 417, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 28 HIS QB 29 VAL HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 404, 405,
 &end
#
# 28 HIS QB 32 LYS QG 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 404, 405,
 igr2= 476, 477,
 &end
#
# 29 VAL HA 29 VAL QG1 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 423, 424, 425,
 &end
#
# 29 VAL HA 29 VAL QG2 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 427, 428, 429,
 &end
#
# 29 VAL HA 32 LYS HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 469, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 29 VAL HA 33 HIS HD2 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 504, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 29 VAL HA 33 HIS HN 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 491, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 29 VAL HA 33 HIS QB 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 495, 496,
 &end
#
# 29 VAL HB 30 ILE HN 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 433, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 29 VAL HB 33 HIS HD2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 504, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 29 VAL HN 29 VAL HB 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 421, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 29 VAL HN 29 VAL QG1 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 423, 424, 425,
 &end
#
# 29 VAL HN 29 VAL QG2 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 427, 428, 429,
 &end
#
# 29 VAL HN 30 ILE HN 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 433, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 29 VAL HN 33 HIS HD2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 504, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 29 VAL QG1 30 ILE HA 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 423, 424, 425,
 &end
#
# 29 VAL QG1 30 ILE HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 423, 424, 425,
 &end
#
# 29 VAL QG1 33 HIS HB2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 423, 424, 425,
 &end
#
# 29 VAL QG1 33 HIS HB3 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 423, 424, 425,
 &end
#
# 29 VAL QG1 33 HIS HD2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 423, 424, 425,
 &end
#
# 29 VAL QG1 33 HIS HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 423, 424, 425,
 &end
#
# 29 VAL QG1 33 HIS QB 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 423, 424, 425,
 igr2= 495, 496,
 &end
#
# 29 VAL QG2 30 ILE HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 427, 428, 429,
 &end
#
# 29 VAL QG2 33 HIS HD2 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 427, 428, 429,
 &end
#
# 29 VAL QG2 33 HIS HN 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 427, 428, 429,
 &end
#
# 29 VAL QG2 33 HIS QB 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 427, 428, 429,
 igr2= 495, 496,
 &end
#
# 30 ILE HA 30 ILE HG12 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 443, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 30 ILE HA 30 ILE HG13 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 444, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 30 ILE HA 30 ILE QD1 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 446, 447, 448,
 &end
#
# 30 ILE HA 30 ILE QG1 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 443, 444,
 &end
#
# 30 ILE HA 30 ILE QG2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 439, 440, 441,
 &end
#
# 30 ILE HA 31 GLN HA 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 454, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 30 ILE HB 30 ILE QD1 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 446, 447, 448,
 &end
#
# 30 ILE HB 31 GLN HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 452, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 30 ILE HN 30 ILE HB 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 30 ILE HN 30 ILE HG12 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 30 ILE HN 30 ILE HG13 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 444, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 30 ILE HN 30 ILE QD1 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 446, 447, 448,
 &end
#
# 30 ILE HN 30 ILE QG1 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 443, 444,
 &end
#
# 30 ILE HN 30 ILE QG2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 439, 440, 441,
 &end
#
# 30 ILE HN 31 GLN HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 452, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 30 ILE HN 32 LYS HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 469, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 30 ILE QG2 30 ILE HG12 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 439, 440, 441,
 &end
#
# 30 ILE QG2 30 ILE HG13 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 439, 440, 441,
 &end
#
# 30 ILE QG2 31 GLN HA 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 439, 440, 441,
 &end
#
# 30 ILE QG2 31 GLN HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 439, 440, 441,
 &end
#
# 31 GLN HA 31 GLN QG 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 459, 460,
 &end
#
# 31 GLN HB2 32 LYS HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 469, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 31 GLN HB2 32 LYS QG 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 476, 477,
 &end
#
# 31 GLN HB3 32 LYS HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 469, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 31 GLN HB3 32 LYS QG 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 476, 477,
 &end
#
# 31 GLN HN 31 GLN HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 31 GLN HN 31 GLN HB3 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 31 GLN HN 31 GLN HG2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 31 GLN HN 31 GLN HG3 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 460, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 31 GLN HN 31 GLN QB 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 456, 457,
 &end
#
# 31 GLN HN 32 LYS HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 469, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 31 GLN QB 32 LYS HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 456, 457,
 &end
#
# 31 GLN QB 32 LYS QB 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 456, 457,
 igr2= 473, 474,
 &end
#
# 31 GLN QB 32 LYS QG 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 456, 457,
 igr2= 476, 477,
 &end
#
# 32 LYS HA 32 LYS QD 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 479, 480,
 &end
#
# 32 LYS HA 32 LYS QG 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 476, 477,
 &end
#
# 32 LYS HB2 33 HIS HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 491, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 32 LYS HB3 33 HIS HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 32 LYS HN 32 LYS HB2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 473, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 32 LYS HN 32 LYS HB3 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 32 LYS HN 32 LYS QB 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 473, 474,
 &end
#
# 32 LYS HN 32 LYS QD 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 479, 480,
 &end
#
# 32 LYS HN 32 LYS QG 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 476, 477,
 &end
#
# 32 LYS HN 33 HIS HN 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 491, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 32 LYS QB 32 LYS QD 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 473, 474,
 igr2= 479, 480,
 &end
#
# 32 LYS QB 32 LYS QE 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 473, 474,
 igr2= 482, 483,
 &end
#
# 32 LYS QB 33 HIS HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 473, 474,
 &end
#
# 32 LYS QD 33 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 479, 480,
 &end
#
# 32 LYS QG 32 LYS QE 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 476, 477,
 igr2= 482, 483,
 &end
#
# 32 LYS QG 33 HIS HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 476, 477,
 &end
#
# 33 HIS HN 33 HIS HD2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 504, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 33 HIS HN 33 HIS QB 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 495, 496,
 &end
#
# 33 HIS HN 34 SER HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 36 ILE HA 36 ILE QD1 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 546, 547, 548,
 &end
#
# 36 ILE HA 36 ILE QG2 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 539, 540, 541,
 &end
#
# 36 ILE HA 37 LEU HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 36 ILE HB 37 LEU HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 552, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 36 ILE HN 36 ILE HB 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 537, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 36 ILE HN 36 ILE HG12 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 543, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 36 ILE HN 36 ILE HG13 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 544, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 36 ILE HN 36 ILE QG2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 539, 540, 541,
 &end
#
# 36 ILE HN 37 LEU HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 552, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 36 ILE QG2 36 ILE HG12 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 539, 540, 541,
 &end
#
# 36 ILE QG2 36 ILE HG13 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 539, 540, 541,
 &end
#
# 36 ILE QG2 37 LEU HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU HA 37 LEU QQD 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
# 37 LEU HN 37 LEU HG 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 37 LEU HN 37 LEU QB 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 556, 557,
 &end
#
# 37 LEU HN 37 LEU QQD 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
# 37 LEU QB 37 LEU QD1 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 556, 557,
 igr2= 561, 562, 563,
 &end
#
# 37 LEU QB 37 LEU QD2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 556, 557,
 igr2= 565, 566, 567,
 &end
# 571 atoms read from pdb file leap.pdb.
# 10 TYR CHI1:  (10 TYR N)-(10 TYR CA)-(10 TYR CB)-(10 TYR CG) -90.0 -30.0
 &rst     iat =   104,   106,   108,   111,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 17 TYR PHI:  (16 HID C)-(17 TYR N)-(17 TYR CA)-(17 TYR C) -111.0 -51.0
 &rst     iat =   209,   211,   213,   230,
   r1 = -112.0, r2 = -111.0, r3 = -51.0, r4 = -50.0,
 &end
# 17 TYR PSI:  (17 TYR N)-(17 TYR CA)-(17 TYR C)-(18 SER N) 103.0 163.0
 &rst     iat =   211,   213,   230,   232,
   r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
 &end
# 18 SER PHI:  (17 TYR C)-(18 SER N)-(18 SER CA)-(18 SER C) -159.0 -99.0
 &rst     iat =   230,   232,   234,   241,
   r1 = -160.0, r2 = -159.0, r3 = -99.0, r4 = -98.0,
 &end
# 18 SER PSI:  (18 SER N)-(18 SER CA)-(18 SER C)-(19 SER N) 130.0 190.0
 &rst     iat =   232,   234,   241,   243,
   r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
 &end
# 19 SER PHI:  (18 SER C)-(19 SER N)-(19 SER CA)-(19 SER C) -143.0 -83.0
 &rst     iat =   241,   243,   245,   252,
   r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
 &end
# 19 SER PSI:  (19 SER N)-(19 SER CA)-(19 SER C)-(20 ILE N) 118.0 178.0
 &rst     iat =   243,   245,   252,   254,
   r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
 &end
# 20 ILE PHI:  (19 SER C)-(20 ILE N)-(20 ILE CA)-(20 ILE C) -116.0 -56.0
 &rst     iat =   252,   254,   256,   271,
   r1 = -117.0, r2 = -116.0, r3 = -56.0, r4 = -55.0,
 &end
# 20 ILE PSI:  (20 ILE N)-(20 ILE CA)-(20 ILE C)-(21 THR N) 102.0 162.0
 &rst     iat =   254,   256,   271,   273,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end
# 22 LYS PHI:  (21 THR C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -93.0 -33.0
 &rst     iat =   285,   287,   289,   307,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 ASN N) -73.0 -13.0
 &rst     iat =   287,   289,   307,   309,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 23 ASN PHI:  (22 LYS C)-(23 ASN N)-(23 ASN CA)-(23 ASN C) -98.0 -38.0
 &rst     iat =   307,   309,   311,   321,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 23 ASN PSI:  (23 ASN N)-(23 ASN CA)-(23 ASN C)-(24 CYS N) -59.0   1.0
 &rst     iat =   309,   311,   321,   323,
   r1 = -60.0, r2 = -59.0, r3 =   1.0, r4 =   2.0,
 &end
# 25 LEU PHI:  (24 CYS C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -93.0 -33.0
 &rst     iat =   332,   334,   336,   351,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 LYS N) -65.0  -5.0
 &rst     iat =   334,   336,   351,   353,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end
# 26 LYS PHI:  (25 LEU C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -96.0 -36.0
 &rst     iat =   351,   353,   355,   373,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 26 LYS PSI:  (26 LYS N)-(26 LYS CA)-(26 LYS C)-(27 ARG N) -70.0 -10.0
 &rst     iat =   353,   355,   373,   375,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 27 ARG PHI:  (26 LYS C)-(27 ARG N)-(27 ARG CA)-(27 ARG C) -97.0 -37.0
 &rst     iat =   373,   375,   377,   397,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 27 ARG PSI:  (27 ARG N)-(27 ARG CA)-(27 ARG C)-(28 HID N) -68.0  -8.0
 &rst     iat =   375,   377,   397,   399,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 28 HIS PHI:  (27 ARG C)-(28 HID N)-(28 HID CA)-(28 HID C) -95.0 -35.0
 &rst     iat =   397,   399,   401,   414,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 VAL N) -75.0 -15.0
 &rst     iat =   399,   401,   414,   416,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end
# 29 VAL PHI:  (28 HID C)-(29 VAL N)-(29 VAL CA)-(29 VAL C) -91.0 -31.0
 &rst     iat =   414,   416,   418,   430,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 29 VAL PSI:  (29 VAL N)-(29 VAL CA)-(29 VAL C)-(30 ILE N) -73.0 -13.0
 &rst     iat =   416,   418,   430,   432,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 30 ILE PHI:  (29 VAL C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -95.0 -35.0
 &rst     iat =   430,   432,   434,   449,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 GLN N) -75.0 -15.0
 &rst     iat =   432,   434,   449,   451,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end
# 31 GLN PHI:  (30 ILE C)-(31 GLN N)-(31 GLN CA)-(31 GLN C) -95.0 -35.0
 &rst     iat =   449,   451,   453,   466,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 31 GLN PSI:  (31 GLN N)-(31 GLN CA)-(31 GLN C)-(32 LYS N) -70.0 -10.0
 &rst     iat =   451,   453,   466,   468,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 32 LYS PHI:  (31 GLN C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -110.0 -50.0
 &rst     iat =   466,   468,   470,   488,
   r1 = -111.0, r2 = -110.0, r3 = -50.0, r4 = -49.0,
 &end
# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 HID N) -40.0  20.0
 &rst     iat =   468,   470,   488,   490,
   r1 = -41.0, r2 = -40.0, r3 =  20.0, r4 =  21.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 191, 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= 153, 411, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   33 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 502, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   38  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 571, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   38  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 571, 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= 191, 411, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   33 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 502, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   38  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 571, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   38  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 571, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  28 HID NE2   33 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 502, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  28 HID NE2   38  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 571, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  33 HID NE2   38  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 571, 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  23.936  23.479   2.017
    2    H2   GLY   1           2H       GLY   1  23.216  23.753   0.569
    3    H3   GLY   1           3H       GLY   1  24.340  22.573   0.712
    4    HA2  GLY   1           1HA      GLY   1  22.924  21.307   2.191
    5    HA3  GLY   1           2HA      GLY   1  21.706  22.587   2.037
    6    H    SER   2           H        SER   2  20.714  20.276   1.450
    7    HA   SER   2           HA       SER   2  20.317  20.251  -1.478
    8    HB2  SER   2           1HB      SER   2  20.631  17.818  -1.620
    9    HB3  SER   2           2HB      SER   2  22.125  18.644  -1.160
   10    HG   SER   2           HG       SER   2  21.737  16.778   0.125
   11    H    SER   3           H        SER   3  18.499  18.843  -2.124
   12    HA   SER   3           HA       SER   3  16.481  18.210  -0.058
   13    HB2  SER   3           1HB      SER   3  14.724  19.444  -1.249
   14    HB3  SER   3           2HB      SER   3  15.986  20.524  -0.640
   15    HG   SER   3           HG       SER   3  15.390  21.025  -2.801
   16    H    GLY   4           H        GLY   4  14.656  16.959  -0.902
   17    HA2  GLY   4           1HA      GLY   4  14.480  15.794  -3.468
   18    HA3  GLY   4           2HA      GLY   4  15.516  14.750  -2.493
   19    H    SER   5           H        SER   5  13.633  13.307  -3.136
   20    HA   SER   5           HA       SER   5  11.130  13.534  -1.667
   21    HB2  SER   5           1HB      SER   5  10.691  11.289  -2.662
   22    HB3  SER   5           2HB      SER   5  11.083  12.550  -3.840
   23    HG   SER   5           HG       SER   5  12.209  10.583  -4.251
   24    H    SER   6           H        SER   6  10.302  11.756  -0.316
   25    HA   SER   6           HA       SER   6  12.045  11.181   1.935
   26    HB2  SER   6           1HB      SER   6   9.978  10.125   2.856
   27    HB3  SER   6           2HB      SER   6   9.772  11.805   2.345
   28    HG   SER   6           HG       SER   6   8.053  10.456   1.626
   29    H    GLY   7           H        GLY   7  11.997   8.954   2.946
   30    HA2  GLY   7           1HA      GLY   7  13.391   7.080   1.329
   31    HA3  GLY   7           2HA      GLY   7  12.749   6.775   2.939
   32    H    HIS   8           H        HIS   8  12.874   4.836   0.909
   33    HA   HIS   8           HA       HIS   8  10.596   4.636  -0.737
   34    HB2  HIS   8           1HB      HIS   8  12.681   3.440  -1.156
   35    HB3  HIS   8           2HB      HIS   8  12.445   2.457   0.292
   36    HD1  HIS   8           1HD      HIS   8  10.621   0.462   0.098
   37    HD2  HIS   8           2HD      HIS   8  11.121   2.873  -3.317
   38    HE1  HIS   8           1HE      HIS   8   9.358  -0.701  -1.790
   39    H    LEU   9           H        LEU   9   8.637   3.873  -0.572
   40    HA   LEU   9           HA       LEU   9   7.785   1.968   1.508
   41    HB2  LEU   9           1HB      LEU   9   6.323   4.562   0.844
   42    HB3  LEU   9           2HB      LEU   9   5.619   3.226   1.752
   43    HG   LEU   9           HG       LEU   9   8.031   4.840   2.685
   44   HD11  LEU   9          1HD1      LEU   9   5.982   6.197   2.624
   45   HD12  LEU   9          2HD1      LEU   9   6.458   5.840   4.291
   46   HD13  LEU   9          3HD1      LEU   9   5.110   4.952   3.541
   47   HD21  LEU   9          3HD2      LEU   9   7.577   3.773   4.868
   48   HD22  LEU   9          1HD2      LEU   9   7.963   2.554   3.651
   49   HD23  LEU   9          2HD2      LEU   9   6.274   2.810   4.139
   50    H    TYR  10           H        TYR  10   5.921   0.749   0.822
   51    HA   TYR  10           HA       TYR  10   5.817   0.379  -2.117
   52    HB2  TYR  10           1HB      TYR  10   4.650  -1.241   0.175
   53    HB3  TYR  10           2HB      TYR  10   4.531  -1.652  -1.529
   54    HD1  TYR  10           1HD      TYR  10   6.948  -1.196   1.279
   55    HD2  TYR  10           2HD      TYR  10   6.320  -2.744  -2.693
   56    HE1  TYR  10           1HE      TYR  10   9.139  -2.401   1.398
   57    HE2  TYR  10           2HE      TYR  10   8.491  -3.958  -2.566
   58    HH   TYR  10           HH       TYR  10  10.342  -4.427  -1.295
   59    H    TYR  11           H        TYR  11   4.184   1.180  -3.333
   60    HA   TYR  11           HA       TYR  11   2.036   2.686  -1.973
   61    HB2  TYR  11           1HB      TYR  11   3.241   2.787  -4.734
   62    HB3  TYR  11           2HB      TYR  11   1.682   3.515  -4.399
   63    HD1  TYR  11           1HD      TYR  11   5.288   3.621  -3.404
   64    HD2  TYR  11           2HD      TYR  11   1.445   5.584  -3.252
   65    HE1  TYR  11           1HE      TYR  11   6.363   5.651  -2.455
   66    HE2  TYR  11           2HE      TYR  11   2.527   7.621  -2.313
   67    HH   TYR  11           HH       TYR  11   6.055   7.792  -1.689
   68    H    CYS  12           H        CYS  12  -0.070   2.526  -2.295
   69    HA   CYS  12           HA       CYS  12  -1.311   0.048  -2.585
   70    HB2  CYS  12           1HB      CYS  12  -2.125   1.931  -1.301
   71    HB3  CYS  12           2HB      CYS  12  -2.327   2.901  -2.765
   72    H    SER  13           H        SER  13  -2.686  -0.843  -4.051
   73    HA   SER  13           HA       SER  13  -2.035  -0.554  -6.875
   74    HB2  SER  13           1HB      SER  13  -4.145  -2.260  -5.498
   75    HB3  SER  13           2HB      SER  13  -3.604  -2.415  -7.181
   76    HG   SER  13           HG       SER  13  -2.527  -3.905  -5.828
   77    H    GLN  14           H        GLN  14  -4.440   0.908  -4.837
   78    HA   GLN  14           HA       GLN  14  -6.010   1.772  -7.245
   79    HB2  GLN  14           1HB      GLN  14  -7.153   0.735  -4.628
   80    HB3  GLN  14           2HB      GLN  14  -8.076   1.481  -5.934
   81    HG2  GLN  14           1HG      GLN  14  -7.188  -0.349  -7.482
   82    HG3  GLN  14           2HG      GLN  14  -6.527  -1.136  -6.048
   83   HE21  GLN  14          1HE2      GLN  14  -7.848  -3.025  -6.305
   84   HE22  GLN  14          2HE2      GLN  14  -9.588  -2.965  -6.052
   85    H    CYS  15           H        CYS  15  -4.367   2.937  -4.484
   86    HA   CYS  15           HA       CYS  15  -5.368   5.624  -5.114
   87    HB2  CYS  15           1HB      CYS  15  -6.029   6.259  -2.949
   88    HB3  CYS  15           2HB      CYS  15  -6.861   4.756  -3.297
   89    H    HIS  16           H        HIS  16  -4.164   7.061  -3.126
   90    HA   HIS  16           HA       HIS  16  -1.337   6.930  -3.969
   91    HB2  HIS  16           1HB      HIS  16  -1.208   9.225  -3.254
   92    HB3  HIS  16           2HB      HIS  16  -2.606   9.004  -4.296
   93    HD1  HIS  16           1HD      HIS  16  -1.782   9.545  -0.553
   94    HD2  HIS  16           2HD      HIS  16  -4.986   9.635  -3.281
   95    HE1  HIS  16           1HE      HIS  16  -3.764  10.544   0.706
   96    H    TYR  17           H        TYR  17  -2.941   5.576  -1.404
   97    HA   TYR  17           HA       TYR  17  -1.269   6.233   0.840
   98    HB2  TYR  17           1HB      TYR  17  -3.477   5.183   1.034
   99    HB3  TYR  17           2HB      TYR  17  -2.893   3.758   0.181
  100    HD1  TYR  17           1HD      TYR  17  -2.508   5.734   3.331
  101    HD2  TYR  17           2HD      TYR  17  -1.807   1.976   1.325
  102    HE1  TYR  17           1HE      TYR  17  -1.858   4.686   5.502
  103    HE2  TYR  17           2HE      TYR  17  -1.185   0.931   3.492
  104    HH   TYR  17           HH       TYR  17  -0.902   1.244   5.754
  105    H    SER  18           H        SER  18   0.406   4.992   1.846
  106    HA   SER  18           HA       SER  18   1.611   2.783   0.379
  107    HB2  SER  18           1HB      SER  18   3.873   3.720   0.337
  108    HB3  SER  18           2HB      SER  18   2.752   4.690  -0.619
  109    HG   SER  18           HG       SER  18   3.986   6.077   0.634
  110    H    SER  19           H        SER  19   3.101   1.517   1.564
  111    HA   SER  19           HA       SER  19   3.240   1.943   4.505
  112    HB2  SER  19           1HB      SER  19   1.112   0.693   3.866
  113    HB3  SER  19           2HB      SER  19   2.157  -0.647   3.355
  114    HG   SER  19           HG       SER  19   1.398  -0.719   5.596
  115    H    ILE  20           H        ILE  20   4.421   0.065   5.559
  116    HA   ILE  20           HA       ILE  20   6.945  -0.493   4.104
  117    HB   ILE  20           HB       ILE  20   7.704  -1.447   6.290
  118   HG12  ILE  20          1HG1      ILE  20   5.251  -0.049   7.464
  119   HG13  ILE  20          2HG1      ILE  20   5.450  -1.797   7.353
  120   HG21  ILE  20          1HG2      ILE  20   8.287   0.808   5.412
  121   HG22  ILE  20          2HG2      ILE  20   6.916   1.494   6.313
  122   HG23  ILE  20          3HG2      ILE  20   8.281   0.748   7.171
  123   HD11  ILE  20          3HD1      ILE  20   5.987  -1.130   9.584
  124   HD12  ILE  20          1HD1      ILE  20   7.491  -1.640   8.790
  125   HD13  ILE  20          2HD1      ILE  20   7.139   0.091   9.026
  126    H    THR  21           H        THR  21   7.367  -2.315   3.174
  127    HA   THR  21           HA       THR  21   7.154  -4.289   2.166
  128    HB   THR  21           HB       THR  21   6.719  -6.290   3.287
  129    HG1  THR  21           1HG      THR  21   5.346  -4.677   5.133
  130   HG21  THR  21          3HG2      THR  21   8.766  -5.111   4.071
  131   HG22  THR  21          1HG2      THR  21   8.061  -6.195   5.285
  132   HG23  THR  21          2HG2      THR  21   7.835  -4.441   5.432
  133    H    LYS  22           H        LYS  22   5.880  -5.693   0.937
  134    HA   LYS  22           HA       LYS  22   3.190  -4.842   0.267
  135    HB2  LYS  22           1HB      LYS  22   4.710  -7.401  -0.391
  136    HB3  LYS  22           2HB      LYS  22   3.149  -6.936  -1.081
  137    HG2  LYS  22           1HG      LYS  22   4.174  -4.860  -2.008
  138    HG3  LYS  22           2HG      LYS  22   5.753  -5.375  -1.382
  139    HD2  LYS  22           1HD      LYS  22   5.641  -7.430  -2.767
  140    HD3  LYS  22           2HD      LYS  22   4.064  -6.913  -3.405
  141    HE2  LYS  22           1HE      LYS  22   5.112  -4.854  -4.321
  142    HE3  LYS  22           2HE      LYS  22   6.681  -5.366  -3.684
  143    HZ1  LYS  22           3HZ      LYS  22   5.111  -6.846  -5.731
  144    HZ2  LYS  22           1HZ      LYS  22   6.561  -7.319  -5.143
  145    HZ3  LYS  22           2HZ      LYS  22   6.444  -5.955  -6.030
  146    H    ASN  23           H        ASN  23   4.472  -7.131   2.579
  147    HA   ASN  23           HA       ASN  23   2.135  -8.689   3.062
  148    HB2  ASN  23           1HB      ASN  23   4.507  -8.046   4.878
  149    HB3  ASN  23           2HB      ASN  23   3.342  -9.337   5.140
  150   HD21  ASN  23          1HD2      ASN  23   3.397 -11.221   3.740
  151   HD22  ASN  23          2HD2      ASN  23   4.801 -11.509   2.725
  152    H    CYS  24           H        CYS  24   3.092  -5.511   4.359
  153    HA   CYS  24           HA       CYS  24   0.700  -5.442   6.115
  154    HB2  CYS  24           1HB      CYS  24   2.947  -4.410   6.734
  155    HB3  CYS  24           2HB      CYS  24   2.621  -3.180   5.495
  156    HG   CYS  24           HG       CYS  24   2.053  -2.184   7.842
  157    H    LEU  25           H        LEU  25   1.875  -3.851   3.093
  158    HA   LEU  25           HA       LEU  25  -0.246  -2.149   2.672
  159    HB2  LEU  25           1HB      LEU  25   1.910  -2.202   1.418
  160    HB3  LEU  25           2HB      LEU  25   1.366  -3.669   0.599
  161    HG   LEU  25           HG       LEU  25  -0.547  -2.366  -0.398
  162   HD11  LEU  25          1HD1      LEU  25  -0.360   0.115  -0.400
  163   HD12  LEU  25          2HD1      LEU  25   0.935   0.016   0.807
  164   HD13  LEU  25          3HD1      LEU  25  -0.718  -0.510   1.209
  165   HD21  LEU  25          3HD2      LEU  25   2.206  -1.253  -0.980
  166   HD22  LEU  25          1HD2      LEU  25   0.796  -1.293  -2.066
  167   HD23  LEU  25          2HD2      LEU  25   1.577  -2.801  -1.589
  168    H    LYS  26           H        LYS  26  -0.125  -5.617   1.709
  169    HA   LYS  26           HA       LYS  26  -2.496  -5.656   0.169
  170    HB2  LYS  26           1HB      LYS  26  -2.534  -8.033   0.478
  171    HB3  LYS  26           2HB      LYS  26  -0.871  -7.492   0.249
  172    HG2  LYS  26           1HG      LYS  26  -0.553  -7.596   2.751
  173    HG3  LYS  26           2HG      LYS  26  -2.168  -8.292   2.901
  174    HD2  LYS  26           1HD      LYS  26   0.144  -9.510   1.329
  175    HD3  LYS  26           2HD      LYS  26  -0.361  -9.985   2.959
  176    HE2  LYS  26           1HE      LYS  26  -2.613 -10.603   2.076
  177    HE3  LYS  26           2HE      LYS  26  -2.079 -10.185   0.443
  178    HZ1  LYS  26           3HZ      LYS  26  -0.881 -12.320   2.129
  179    HZ2  LYS  26           1HZ      LYS  26  -0.382 -11.929   0.621
  180    HZ3  LYS  26           2HZ      LYS  26  -1.866 -12.565   0.853
  181    H    ARG  27           H        ARG  27  -2.239  -5.601   3.692
  182    HA   ARG  27           HA       ARG  27  -5.004  -6.287   4.238
  183    HB2  ARG  27           1HB      ARG  27  -3.153  -6.467   5.879
  184    HB3  ARG  27           2HB      ARG  27  -2.992  -4.706   5.892
  185    HG2  ARG  27           1HG      ARG  27  -5.238  -4.458   6.848
  186    HG3  ARG  27           2HG      ARG  27  -5.528  -6.197   6.683
  187    HD2  ARG  27           1HD      ARG  27  -4.983  -5.652   8.992
  188    HD3  ARG  27           2HD      ARG  27  -3.724  -6.678   8.284
  189    HE   ARG  27           HE       ARG  27  -3.001  -3.915   7.980
  190   HH11  ARG  27          2HH1      ARG  27  -3.216  -6.293  10.543
  191   HH12  ARG  27          1HH1      ARG  27  -1.954  -5.535  11.475
  192   HH21  ARG  27          2HH2      ARG  27  -1.362  -3.030   9.194
  193   HH22  ARG  27          1HH2      ARG  27  -0.949  -3.728  10.731
  194    H    HIS  28           H        HIS  28  -3.377  -3.168   3.596
  195    HA   HIS  28           HA       HIS  28  -5.721  -1.517   3.977
  196    HB2  HIS  28           1HB      HIS  28  -3.603  -0.434   3.921
  197    HB3  HIS  28           2HB      HIS  28  -3.152  -1.175   2.396
  198    HD1  HIS  28           1HD      HIS  28  -5.193   1.754   3.712
  199    HD2  HIS  28           2HD      HIS  28  -4.116  -0.147   0.127
  200    HE1  HIS  28           1HE      HIS  28  -5.926   3.324   1.858
  201    H    VAL  29           H        VAL  29  -4.409  -3.206   1.065
  202    HA   VAL  29           HA       VAL  29  -6.511  -2.295  -0.672
  203    HB   VAL  29           HB       VAL  29  -4.755  -4.758  -0.966
  204   HG11  VAL  29          1HG1      VAL  29  -6.378  -3.187  -3.024
  205   HG12  VAL  29          2HG1      VAL  29  -5.218  -4.481  -3.396
  206   HG13  VAL  29          3HG1      VAL  29  -6.688  -4.858  -2.498
  207   HG21  VAL  29          3HG2      VAL  29  -4.428  -1.908  -2.022
  208   HG22  VAL  29          1HG2      VAL  29  -3.406  -2.685  -0.795
  209   HG23  VAL  29          2HG2      VAL  29  -3.397  -3.290  -2.449
  210    H    ILE  30           H        ILE  30  -6.275  -5.229   1.342
  211    HA   ILE  30           HA       ILE  30  -8.767  -6.402   0.548
  212    HB   ILE  30           HB       ILE  30  -7.042  -6.618   3.036
  213   HG12  ILE  30          1HG1      ILE  30  -7.610  -8.714   0.901
  214   HG13  ILE  30          2HG1      ILE  30  -6.323  -7.541   0.703
  215   HG21  ILE  30          1HG2      ILE  30  -9.545  -8.244   2.401
  216   HG22  ILE  30          2HG2      ILE  30  -8.370  -8.641   3.669
  217   HG23  ILE  30          3HG2      ILE  30  -9.308  -7.166   3.795
  218   HD11  ILE  30          3HD1      ILE  30  -6.507  -9.634   2.905
  219   HD12  ILE  30          1HD1      ILE  30  -5.364  -9.568   1.556
  220   HD13  ILE  30          2HD1      ILE  30  -5.280  -8.348   2.840
  221    H    GLN  31           H        GLN  31  -8.028  -4.094   3.216
  222    HA   GLN  31           HA       GLN  31 -10.797  -4.188   4.145
  223    HB2  GLN  31           1HB      GLN  31  -8.347  -2.643   5.058
  224    HB3  GLN  31           2HB      GLN  31  -9.928  -2.543   5.843
  225    HG2  GLN  31           1HG      GLN  31  -9.912  -4.962   6.295
  226    HG3  GLN  31           2HG      GLN  31  -8.339  -5.129   5.520
  227   HE21  GLN  31          1HE2      GLN  31  -8.439  -6.074   8.036
  228   HE22  GLN  31          2HE2      GLN  31  -7.686  -4.949   9.158
  229    H    LYS  32           H        LYS  32  -8.887  -1.784   2.326
  230    HA   LYS  32           HA       LYS  32 -11.093   0.206   2.614
  231    HB2  LYS  32           1HB      LYS  32  -8.239   0.615   1.655
  232    HB3  LYS  32           2HB      LYS  32  -9.417   1.865   2.016
  233    HG2  LYS  32           1HG      LYS  32  -8.138  -0.028   4.035
  234    HG3  LYS  32           2HG      LYS  32  -7.793   1.685   3.806
  235    HD2  LYS  32           1HD      LYS  32 -10.140   2.243   4.481
  236    HD3  LYS  32           2HD      LYS  32 -10.450   0.523   4.741
  237    HE2  LYS  32           1HE      LYS  32 -10.030   1.368   6.881
  238    HE3  LYS  32           2HE      LYS  32  -8.571   0.485   6.428
  239    HZ1  LYS  32           3HZ      LYS  32  -8.066   2.650   7.429
  240    HZ2  LYS  32           1HZ      LYS  32  -8.911   3.442   6.283
  241    HZ3  LYS  32           2HZ      LYS  32  -7.538   2.645   5.887
  242    H    HIS  33           H        HIS  33  -9.998  -1.924   0.186
  243    HA   HIS  33           HA       HIS  33 -11.452  -0.342  -1.896
  244    HB2  HIS  33           1HB      HIS  33  -8.816  -1.817  -2.239
  245    HB3  HIS  33           2HB      HIS  33  -9.729  -1.023  -3.512
  246    HD1  HIS  33           1HD      HIS  33 -10.250   1.812  -2.571
  247    HD2  HIS  33           2HD      HIS  33  -6.791  -0.368  -1.614
  248    HE1  HIS  33           1HE      HIS  33  -8.493   3.541  -1.966
  249    H    SER  34           H        SER  34 -12.048  -1.572  -3.813
  250    HA   SER  34           HA       SER  34 -13.220  -4.194  -3.233
  251    HB2  SER  34           1HB      SER  34 -13.082  -2.579  -5.809
  252    HB3  SER  34           2HB      SER  34 -14.033  -4.054  -5.546
  253    HG   SER  34           HG       SER  34 -15.276  -2.133  -5.245
  254    H    ASN  35           H        ASN  35 -11.582  -5.655  -2.882
  255    HA   ASN  35           HA       ASN  35  -9.259  -5.833  -4.628
  256    HB2  ASN  35           1HB      ASN  35  -9.218  -6.087  -2.127
  257    HB3  ASN  35           2HB      ASN  35 -10.099  -7.606  -2.304
  258   HD21  ASN  35          1HD2      ASN  35  -8.326  -8.774  -1.337
  259   HD22  ASN  35          2HD2      ASN  35  -6.833  -9.021  -2.229
  260    H    ILE  36           H        ILE  36 -11.239  -6.176  -6.324
  261    HA   ILE  36           HA       ILE  36 -11.260  -9.043  -7.108
  262    HB   ILE  36           HB       ILE  36 -13.702  -8.780  -7.736
  263   HG12  ILE  36          1HG1      ILE  36 -15.121  -7.326  -6.395
  264   HG13  ILE  36          2HG1      ILE  36 -13.728  -6.525  -5.680
  265   HG21  ILE  36          1HG2      ILE  36 -14.473  -9.490  -5.555
  266   HG22  ILE  36          2HG2      ILE  36 -12.867 -10.160  -5.866
  267   HG23  ILE  36          3HG2      ILE  36 -13.053  -8.776  -4.768
  268   HD11  ILE  36          3HD1      ILE  36 -13.181  -5.464  -7.791
  269   HD12  ILE  36          1HD1      ILE  36 -14.366  -6.476  -8.663
  270   HD13  ILE  36          2HD1      ILE  36 -14.912  -5.248  -7.506
  271    H    LEU  37           H        LEU  37 -12.176  -9.354  -9.319
  272    HA   LEU  37           HA       LEU  37 -10.941  -7.418 -11.207
  273    HB2  LEU  37           1HB      LEU  37 -11.773 -10.340 -11.474
  274    HB3  LEU  37           2HB      LEU  37 -11.294  -9.348 -12.827
  275    HG   LEU  37           HG       LEU  37  -9.493 -10.758 -12.233
  276   HD11  LEU  37          1HD1      LEU  37  -7.684  -9.174 -11.989
  277   HD12  LEU  37          2HD1      LEU  37  -8.776  -7.950 -11.314
  278   HD13  LEU  37          3HD1      LEU  37  -8.948  -8.463 -13.008
  279   HD21  LEU  37          3HD2      LEU  37  -9.329  -9.496  -9.477
  280   HD22  LEU  37          1HD2      LEU  37  -8.317 -10.783 -10.151
  281   HD23  LEU  37          2HD2      LEU  37 -10.028 -11.098  -9.819
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  21.798  -3.636  -5.633
    2    H2   GLY   1           2H       GLY   1  20.468  -2.696  -5.438
    3    H3   GLY   1           3H       GLY   1  20.750  -3.424  -6.876
    4    HA2  GLY   1           1HA      GLY   1  20.446  -5.605  -5.912
    5    HA3  GLY   1           2HA      GLY   1  20.152  -4.822  -4.348
    6    H    SER   2           H        SER   2  18.278  -6.558  -5.391
    7    HA   SER   2           HA       SER   2  16.197  -5.151  -6.879
    8    HB2  SER   2           1HB      SER   2  14.976  -7.256  -6.653
    9    HB3  SER   2           2HB      SER   2  16.640  -7.541  -7.195
   10    HG   SER   2           HG       SER   2  16.081  -8.987  -5.527
   11    H    SER   3           H        SER   3  16.881  -5.602  -3.497
   12    HA   SER   3           HA       SER   3  15.780  -5.288  -1.559
   13    HB2  SER   3           1HB      SER   3  14.250  -3.154  -3.076
   14    HB3  SER   3           2HB      SER   3  14.368  -3.306  -1.314
   15    HG   SER   3           HG       SER   3  15.904  -1.818  -2.196
   16    H    GLY   4           H        GLY   4  14.617  -7.323  -3.407
   17    HA2  GLY   4           1HA      GLY   4  11.810  -7.381  -3.380
   18    HA3  GLY   4           2HA      GLY   4  12.849  -8.803  -3.465
   19    H    SER   5           H        SER   5  10.356  -7.577  -1.824
   20    HA   SER   5           HA       SER   5   9.343  -7.782   0.165
   21    HB2  SER   5           1HB      SER   5  10.995 -10.299   0.499
   22    HB3  SER   5           2HB      SER   5   9.506  -9.890   1.368
   23    HG   SER   5           HG       SER   5   9.186 -11.280  -0.463
   24    H    SER   6           H        SER   6  12.002  -6.314   0.142
   25    HA   SER   6           HA       SER   6  12.944  -6.540   2.925
   26    HB2  SER   6           1HB      SER   6  14.425  -6.122   0.912
   27    HB3  SER   6           2HB      SER   6  13.739  -4.485   0.844
   28    HG   SER   6           HG       SER   6  15.708  -4.649   2.088
   29    H    GLY   7           H        GLY   7  13.343  -4.288   3.981
   30    HA2  GLY   7           1HA      GLY   7  10.802  -3.182   4.811
   31    HA3  GLY   7           2HA      GLY   7  12.405  -2.689   5.358
   32    H    HIS   8           H        HIS   8  11.190  -2.624   2.017
   33    HA   HIS   8           HA       HIS   8  11.687   0.284   1.767
   34    HB2  HIS   8           1HB      HIS   8  12.439  -1.511   0.083
   35    HB3  HIS   8           2HB      HIS   8  10.743  -1.667  -0.363
   36    HD1  HIS   8           1HD      HIS   8   9.699   0.517  -1.719
   37    HD2  HIS   8           2HD      HIS   8  13.784   0.655  -0.684
   38    HE1  HIS   8           1HE      HIS   8  10.720   2.410  -3.078
   39    H    LEU   9           H        LEU   9   9.965   1.613   0.700
   40    HA   LEU   9           HA       LEU   9   7.275   1.073   1.779
   41    HB2  LEU   9           1HB      LEU   9   8.338   3.345   0.063
   42    HB3  LEU   9           2HB      LEU   9   6.689   3.225   0.671
   43    HG   LEU   9           HG       LEU   9   9.194   3.482   2.394
   44   HD11  LEU   9          1HD1      LEU   9   8.321   5.721   2.895
   45   HD12  LEU   9          2HD1      LEU   9   6.939   5.446   1.810
   46   HD13  LEU   9          3HD1      LEU   9   8.587   5.533   1.153
   47   HD21  LEU   9          3HD2      LEU   9   7.510   2.228   3.642
   48   HD22  LEU   9          1HD2      LEU   9   6.244   3.391   3.175
   49   HD23  LEU   9          2HD2      LEU   9   7.569   3.879   4.256
   50    H    TYR  10           H        TYR  10   5.539   0.456   0.707
   51    HA   TYR  10           HA       TYR  10   5.634  -0.007  -2.242
   52    HB2  TYR  10           1HB      TYR  10   4.443  -1.778  -0.076
   53    HB3  TYR  10           2HB      TYR  10   4.048  -1.913  -1.782
   54    HD1  TYR  10           1HD      TYR  10   6.930  -2.123   0.603
   55    HD2  TYR  10           2HD      TYR  10   5.384  -3.148  -3.287
   56    HE1  TYR  10           1HE      TYR  10   8.845  -3.694   0.254
   57    HE2  TYR  10           2HE      TYR  10   7.290  -4.706  -3.635
   58    HH   TYR  10           HH       TYR  10   9.200  -5.577  -2.778
   59    H    TYR  11           H        TYR  11   3.716   0.463  -3.342
   60    HA   TYR  11           HA       TYR  11   1.946   2.400  -1.907
   61    HB2  TYR  11           1HB      TYR  11   3.055   2.467  -4.729
   62    HB3  TYR  11           2HB      TYR  11   1.898   3.609  -4.068
   63    HD1  TYR  11           2HD      TYR  11   5.411   2.340  -3.686
   64    HD2  TYR  11           1HD      TYR  11   2.600   5.486  -2.779
   65    HE1  TYR  11           2HE      TYR  11   7.252   3.707  -2.719
   66    HE2  TYR  11           1HE      TYR  11   4.449   6.863  -1.844
   67    HH   TYR  11           HH       TYR  11   6.689   6.978  -1.368
   68    H    CYS  12           H        CYS  12  -0.200   2.509  -2.350
   69    HA   CYS  12           HA       CYS  12  -1.590   0.152  -3.113
   70    HB2  CYS  12           1HB      CYS  12  -2.357   1.842  -1.507
   71    HB3  CYS  12           2HB      CYS  12  -2.509   3.031  -2.813
   72    H    SER  13           H        SER  13  -2.817  -0.356  -4.877
   73    HA   SER  13           HA       SER  13  -2.020   0.792  -7.484
   74    HB2  SER  13           1HB      SER  13  -3.742  -1.608  -6.786
   75    HB3  SER  13           2HB      SER  13  -3.278  -1.116  -8.429
   76    HG   SER  13           HG       SER  13  -1.874  -2.722  -7.581
   77    H    GLN  14           H        GLN  14  -4.591   1.262  -5.263
   78    HA   GLN  14           HA       GLN  14  -6.447   2.262  -7.409
   79    HB2  GLN  14           1HB      GLN  14  -6.953   1.069  -4.669
   80    HB3  GLN  14           2HB      GLN  14  -8.165   2.013  -5.523
   81    HG2  GLN  14           1HG      GLN  14  -8.659  -0.260  -5.936
   82    HG3  GLN  14           2HG      GLN  14  -8.073   0.438  -7.441
   83   HE21  GLN  14          1HE2      GLN  14  -6.779  -1.355  -4.550
   84   HE22  GLN  14          2HE2      GLN  14  -5.743  -2.394  -5.518
   85    H    CYS  15           H        CYS  15  -4.593   3.322  -4.619
   86    HA   CYS  15           HA       CYS  15  -5.561   6.070  -5.017
   87    HB2  CYS  15           1HB      CYS  15  -6.271   6.433  -2.775
   88    HB3  CYS  15           2HB      CYS  15  -7.137   5.035  -3.388
   89    H    HIS  16           H        HIS  16  -4.421   7.331  -2.918
   90    HA   HIS  16           HA       HIS  16  -1.609   7.319  -3.744
   91    HB2  HIS  16           1HB      HIS  16  -3.138   9.203  -1.916
   92    HB3  HIS  16           2HB      HIS  16  -1.520   9.470  -2.562
   93    HD1  HIS  16           1HD      HIS  16  -1.458   9.622  -5.414
   94    HD2  HIS  16           2HD      HIS  16  -5.103  10.149  -3.376
   95    HE1  HIS  16           1HE      HIS  16  -3.037  10.762  -7.059
   96    H    TYR  17           H        TYR  17  -3.109   5.577  -1.348
   97    HA   TYR  17           HA       TYR  17  -1.482   6.050   0.952
   98    HB2  TYR  17           1HB      TYR  17  -3.660   4.949   1.021
   99    HB3  TYR  17           2HB      TYR  17  -3.042   3.611   0.060
  100    HD1  TYR  17           1HD      TYR  17  -2.856   5.277   3.389
  101    HD2  TYR  17           2HD      TYR  17  -1.789   1.812   1.047
  102    HE1  TYR  17           1HE      TYR  17  -2.169   4.081   5.464
  103    HE2  TYR  17           2HE      TYR  17  -1.117   0.618   3.130
  104    HH   TYR  17           HH       TYR  17  -1.337   2.141   6.360
  105    H    SER  18           H        SER  18   0.189   4.839   1.898
  106    HA   SER  18           HA       SER  18   1.536   2.737   0.375
  107    HB2  SER  18           1HB      SER  18   3.758   3.721   0.558
  108    HB3  SER  18           2HB      SER  18   2.680   4.766  -0.381
  109    HG   SER  18           HG       SER  18   3.893   5.981   1.121
  110    H    SER  19           H        SER  19   2.990   1.464   1.596
  111    HA   SER  19           HA       SER  19   3.057   1.801   4.540
  112    HB2  SER  19           1HB      SER  19   1.017   0.392   3.891
  113    HB3  SER  19           2HB      SER  19   2.163  -0.820   3.295
  114    HG   SER  19           HG       SER  19   1.705   0.108   5.933
  115    H    ILE  20           H        ILE  20   4.672   0.421   5.564
  116    HA   ILE  20           HA       ILE  20   6.993  -0.133   3.845
  117    HB   ILE  20           HB       ILE  20   7.340   0.950   5.985
  118   HG12  ILE  20          1HG1      ILE  20   8.600  -1.821   5.846
  119   HG13  ILE  20          2HG1      ILE  20   9.076  -0.425   4.878
  120   HG21  ILE  20          1HG2      ILE  20   6.556  -1.644   7.376
  121   HG22  ILE  20          2HG2      ILE  20   7.069  -0.122   8.126
  122   HG23  ILE  20          3HG2      ILE  20   5.518  -0.207   7.300
  123   HD11  ILE  20          3HD1      ILE  20   9.668   0.806   6.970
  124   HD12  ILE  20          1HD1      ILE  20   9.297  -0.666   7.907
  125   HD13  ILE  20          2HD1      ILE  20  10.616  -0.676   6.730
  126    H    THR  21           H        THR  21   7.497  -2.007   3.006
  127    HA   THR  21           HA       THR  21   7.344  -4.077   2.195
  128    HB   THR  21           HB       THR  21   6.954  -6.008   3.400
  129    HG1  THR  21           1HG      THR  21   5.527  -4.368   5.172
  130   HG21  THR  21          3HG2      THR  21   8.941  -4.732   4.225
  131   HG22  THR  21          1HG2      THR  21   8.235  -5.835   5.418
  132   HG23  THR  21          2HG2      THR  21   7.937  -4.093   5.546
  133    H    LYS  22           H        LYS  22   6.083  -5.266   0.842
  134    HA   LYS  22           HA       LYS  22   3.354  -4.553   0.319
  135    HB2  LYS  22           1HB      LYS  22   3.363  -6.456  -1.222
  136    HB3  LYS  22           2HB      LYS  22   4.793  -5.447  -1.407
  137    HG2  LYS  22           1HG      LYS  22   6.119  -7.100  -0.069
  138    HG3  LYS  22           2HG      LYS  22   4.680  -8.130   0.045
  139    HD2  LYS  22           1HD      LYS  22   4.633  -8.351  -2.419
  140    HD3  LYS  22           2HD      LYS  22   6.047  -7.276  -2.546
  141    HE2  LYS  22           1HE      LYS  22   7.370  -8.861  -1.159
  142    HE3  LYS  22           2HE      LYS  22   5.978  -9.941  -1.052
  143    HZ1  LYS  22           3HZ      LYS  22   6.096 -10.247  -3.456
  144    HZ2  LYS  22           1HZ      LYS  22   7.546 -10.603  -2.790
  145    HZ3  LYS  22           2HZ      LYS  22   7.344  -9.196  -3.585
  146    H    ASN  23           H        ASN  23   4.739  -6.855   2.527
  147    HA   ASN  23           HA       ASN  23   2.442  -8.499   2.971
  148    HB2  ASN  23           1HB      ASN  23   4.862  -9.040   3.487
  149    HB3  ASN  23           2HB      ASN  23   4.781  -7.902   4.834
  150   HD21  ASN  23          1HD2      ASN  23   5.025  -9.397   6.530
  151   HD22  ASN  23          2HD2      ASN  23   3.882 -10.704   6.804
  152    H    CYS  24           H        CYS  24   3.319  -5.317   4.271
  153    HA   CYS  24           HA       CYS  24   1.006  -5.369   6.141
  154    HB2  CYS  24           1HB      CYS  24   3.031  -3.190   5.527
  155    HB3  CYS  24           2HB      CYS  24   1.754  -3.105   6.743
  156    HG   CYS  24           HG       CYS  24   4.251  -5.282   6.518
  157    H    LEU  25           H        LEU  25   1.989  -3.732   3.084
  158    HA   LEU  25           HA       LEU  25  -0.179  -2.075   2.730
  159    HB2  LEU  25           1HB      LEU  25   1.835  -2.119   1.297
  160    HB3  LEU  25           2HB      LEU  25   1.332  -3.678   0.638
  161    HG   LEU  25           HG       LEU  25  -0.672  -2.623  -0.386
  162   HD11  LEU  25          1HD1      LEU  25   0.552  -0.017   0.631
  163   HD12  LEU  25          2HD1      LEU  25  -1.026  -0.703   1.097
  164   HD13  LEU  25          3HD1      LEU  25  -0.767  -0.143  -0.556
  165   HD21  LEU  25          3HD2      LEU  25   1.901  -1.212  -1.110
  166   HD22  LEU  25          1HD2      LEU  25   0.490  -1.485  -2.155
  167   HD23  LEU  25          2HD2      LEU  25   1.466  -2.860  -1.620
  168    H    LYS  26           H        LYS  26  -0.100  -5.581   2.002
  169    HA   LYS  26           HA       LYS  26  -2.482  -5.834   0.566
  170    HB2  LYS  26           1HB      LYS  26  -2.442  -8.137   1.090
  171    HB3  LYS  26           2HB      LYS  26  -0.759  -7.614   1.062
  172    HG2  LYS  26           1HG      LYS  26  -0.935  -7.398   3.626
  173    HG3  LYS  26           2HG      LYS  26  -2.500  -8.213   3.492
  174    HD2  LYS  26           1HD      LYS  26  -1.345 -10.142   2.352
  175    HD3  LYS  26           2HD      LYS  26   0.207  -9.331   2.663
  176    HE2  LYS  26           1HE      LYS  26  -0.409  -9.290   5.128
  177    HE3  LYS  26           2HE      LYS  26  -1.836 -10.260   4.735
  178    HZ1  LYS  26           3HZ      LYS  26  -0.251 -11.957   3.830
  179    HZ2  LYS  26           1HZ      LYS  26  -0.069 -11.708   5.436
  180    HZ3  LYS  26           2HZ      LYS  26   1.004 -11.056   4.402
  181    H    ARG  27           H        ARG  27  -2.233  -5.285   4.048
  182    HA   ARG  27           HA       ARG  27  -4.994  -5.980   4.676
  183    HB2  ARG  27           1HB      ARG  27  -3.021  -4.192   6.176
  184    HB3  ARG  27           2HB      ARG  27  -4.534  -4.810   6.815
  185    HG2  ARG  27           1HG      ARG  27  -2.061  -6.426   6.074
  186    HG3  ARG  27           2HG      ARG  27  -2.690  -6.117   7.686
  187    HD2  ARG  27           1HD      ARG  27  -3.987  -7.826   5.527
  188    HD3  ARG  27           2HD      ARG  27  -3.190  -8.396   7.000
  189    HE   ARG  27           HE       ARG  27  -5.214  -6.675   7.877
  190   HH11  ARG  27          2HH1      ARG  27  -5.120  -9.744   6.187
  191   HH12  ARG  27          1HH1      ARG  27  -6.708 -10.194   6.740
  192   HH21  ARG  27          2HH2      ARG  27  -7.236  -7.313   8.534
  193   HH22  ARG  27          1HH2      ARG  27  -7.864  -8.855   8.036
  194    H    HIS  28           H        HIS  28  -3.441  -2.939   3.684
  195    HA   HIS  28           HA       HIS  28  -5.808  -1.286   3.977
  196    HB2  HIS  28           1HB      HIS  28  -3.698  -0.198   3.789
  197    HB3  HIS  28           2HB      HIS  28  -3.268  -1.073   2.325
  198    HD1  HIS  28           1HD      HIS  28  -5.380   1.908   3.425
  199    HD2  HIS  28           2HD      HIS  28  -4.232  -0.225  -0.010
  200    HE1  HIS  28           1HE      HIS  28  -6.111   3.329   1.453
  201    H    VAL  29           H        VAL  29  -4.493  -3.238   1.257
  202    HA   VAL  29           HA       VAL  29  -6.570  -2.536  -0.598
  203    HB   VAL  29           HB       VAL  29  -4.865  -5.051  -0.569
  204   HG11  VAL  29          1HG1      VAL  29  -6.783  -5.201  -2.141
  205   HG12  VAL  29          2HG1      VAL  29  -6.313  -3.641  -2.854
  206   HG13  VAL  29          3HG1      VAL  29  -5.251  -5.056  -3.006
  207   HG21  VAL  29          3HG2      VAL  29  -4.368  -2.346  -1.900
  208   HG22  VAL  29          1HG2      VAL  29  -3.421  -3.043  -0.569
  209   HG23  VAL  29          2HG2      VAL  29  -3.401  -3.814  -2.152
  210    H    ILE  30           H        ILE  30  -6.301  -5.289   1.678
  211    HA   ILE  30           HA       ILE  30  -8.825  -6.497   1.090
  212    HB   ILE  30           HB       ILE  30  -7.065  -6.447   3.563
  213   HG12  ILE  30          1HG1      ILE  30  -7.644  -8.740   1.639
  214   HG13  ILE  30          2HG1      ILE  30  -6.346  -7.601   1.346
  215   HG21  ILE  30          1HG2      ILE  30  -8.386  -8.385   4.423
  216   HG22  ILE  30          2HG2      ILE  30  -9.328  -6.909   4.387
  217   HG23  ILE  30          3HG2      ILE  30  -9.566  -8.137   3.123
  218   HD11  ILE  30          3HD1      ILE  30  -5.405  -9.543   2.384
  219   HD12  ILE  30          1HD1      ILE  30  -5.325  -8.213   3.554
  220   HD13  ILE  30          2HD1      ILE  30  -6.559  -9.487   3.721
  221    H    GLN  31           H        GLN  31  -8.009  -3.904   3.454
  222    HA   GLN  31           HA       GLN  31 -10.670  -3.777   4.522
  223    HB2  GLN  31           1HB      GLN  31  -8.590  -3.205   5.729
  224    HB3  GLN  31           2HB      GLN  31  -8.378  -1.780   4.701
  225    HG2  GLN  31           1HG      GLN  31 -10.508  -0.840   5.578
  226    HG3  GLN  31           2HG      GLN  31 -10.751  -2.293   6.556
  227   HE21  GLN  31          1HE2      GLN  31  -9.182  -2.692   8.365
  228   HE22  GLN  31          2HE2      GLN  31  -8.318  -1.309   9.025
  229    H    LYS  32           H        LYS  32  -9.009  -1.748   2.078
  230    HA   LYS  32           HA       LYS  32 -11.446  -0.031   1.825
  231    HB2  LYS  32           1HB      LYS  32  -8.573   0.452   0.941
  232    HB3  LYS  32           2HB      LYS  32  -9.892   1.610   0.845
  233    HG2  LYS  32           1HG      LYS  32  -8.663   0.505   3.407
  234    HG3  LYS  32           2HG      LYS  32  -8.429   2.108   2.717
  235    HD2  LYS  32           1HD      LYS  32 -10.902   2.555   3.013
  236    HD3  LYS  32           2HD      LYS  32 -11.047   0.978   3.795
  237    HE2  LYS  32           1HE      LYS  32 -10.908   2.498   5.571
  238    HE3  LYS  32           2HE      LYS  32  -9.326   1.724   5.493
  239    HZ1  LYS  32           3HZ      LYS  32  -9.980   4.412   4.393
  240    HZ2  LYS  32           1HZ      LYS  32  -8.499   3.717   4.334
  241    HZ3  LYS  32           2HZ      LYS  32  -9.151   4.134   5.767
  242    H    HIS  33           H        HIS  33  -9.726  -2.369  -0.076
  243    HA   HIS  33           HA       HIS  33 -11.226  -1.532  -2.521
  244    HB2  HIS  33           1HB      HIS  33  -8.326  -2.401  -2.456
  245    HB3  HIS  33           2HB      HIS  33  -9.235  -1.813  -3.845
  246    HD1  HIS  33           1HD      HIS  33 -10.312   0.927  -3.014
  247    HD2  HIS  33           2HD      HIS  33  -6.637  -0.629  -1.706
  248    HE1  HIS  33           1HE      HIS  33  -8.917   2.936  -2.336
  249    H    SER  34           H        SER  34 -11.939  -3.656  -0.676
  250    HA   SER  34           HA       SER  34 -11.135  -6.231  -1.468
  251    HB2  SER  34           1HB      SER  34 -12.421  -5.794   0.559
  252    HB3  SER  34           2HB      SER  34 -13.839  -5.338  -0.404
  253    HG   SER  34           HG       SER  34 -13.744  -7.577   0.393
  254    H    ASN  35           H        ASN  35 -11.761  -7.713  -2.938
  255    HA   ASN  35           HA       ASN  35 -13.144  -6.859  -5.361
  256    HB2  ASN  35           1HB      ASN  35 -11.081  -8.271  -5.312
  257    HB3  ASN  35           2HB      ASN  35 -11.993  -9.558  -4.517
  258   HD21  ASN  35          1HD2      ASN  35 -11.988  -7.536  -7.514
  259   HD22  ASN  35          2HD2      ASN  35 -12.628  -8.824  -8.522
  260    H    ILE  36           H        ILE  36 -14.286  -8.099  -2.406
  261    HA   ILE  36           HA       ILE  36 -16.347  -9.872  -3.354
  262    HB   ILE  36           HB       ILE  36 -15.961  -8.431  -0.702
  263   HG12  ILE  36          1HG1      ILE  36 -15.336 -11.307  -1.543
  264   HG13  ILE  36          2HG1      ILE  36 -14.140 -10.028  -1.366
  265   HG21  ILE  36          1HG2      ILE  36 -18.326  -9.079  -0.890
  266   HG22  ILE  36          2HG2      ILE  36 -17.857 -10.734  -1.345
  267   HG23  ILE  36          3HG2      ILE  36 -17.523 -10.096   0.280
  268   HD11  ILE  36          3HD1      ILE  36 -15.741 -11.306   0.868
  269   HD12  ILE  36          1HD1      ILE  36 -13.999 -11.364   0.582
  270   HD13  ILE  36          2HD1      ILE  36 -14.756  -9.835   1.068
  271    H    LEU  37           H        LEU  37 -16.199  -6.454  -3.068
  272    HA   LEU  37           HA       LEU  37 -19.147  -6.105  -3.423
  273    HB2  LEU  37           1HB      LEU  37 -17.057  -4.123  -2.453
  274    HB3  LEU  37           2HB      LEU  37 -18.781  -3.810  -2.604
  275    HG   LEU  37           HG       LEU  37 -17.491  -5.795  -0.674
  276   HD11  LEU  37          1HD1      LEU  37 -18.232  -4.208   1.043
  277   HD12  LEU  37          2HD1      LEU  37 -18.882  -3.126  -0.208
  278   HD13  LEU  37          3HD1      LEU  37 -17.133  -3.423  -0.101
  279   HD21  LEU  37          3HD2      LEU  37 -20.414  -4.991  -1.022
  280   HD22  LEU  37          1HD2      LEU  37 -19.762  -5.948   0.328
  281   HD23  LEU  37          2HD2      LEU  37 -19.718  -6.602  -1.311
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  30.789   0.764   4.861
    2    H2   GLY   1           2H       GLY   1  30.881   2.279   5.481
    3    H3   GLY   1           3H       GLY   1  31.216   2.023   3.901
    4    HA2  GLY   1           1HA      GLY   1  28.942   1.376   3.453
    5    HA3  GLY   1           2HA      GLY   1  28.578   1.651   5.166
    6    H    SER   2           H        SER   2  27.026   2.954   3.484
    7    HA   SER   2           HA       SER   2  27.897   5.815   3.547
    8    HB2  SER   2           1HB      SER   2  26.496   4.421   1.233
    9    HB3  SER   2           2HB      SER   2  26.827   6.158   1.356
   10    HG   SER   2           HG       SER   2  28.415   5.050   0.111
   11    H    SER   3           H        SER   3  26.192   7.355   3.624
   12    HA   SER   3           HA       SER   3  24.008   6.690   5.323
   13    HB2  SER   3           1HB      SER   3  24.403   9.170   3.608
   14    HB3  SER   3           2HB      SER   3  23.307   9.013   4.994
   15    HG   SER   3           HG       SER   3  25.313   9.987   5.574
   16    H    GLY   4           H        GLY   4  21.757   6.746   5.003
   17    HA2  GLY   4           1HA      GLY   4  20.409   7.095   2.511
   18    HA3  GLY   4           2HA      GLY   4  20.698   5.374   2.775
   19    H    SER   5           H        SER   5  18.184   5.845   2.591
   20    HA   SER   5           HA       SER   5  16.751   6.843   4.839
   21    HB2  SER   5           1HB      SER   5  15.836   4.861   2.720
   22    HB3  SER   5           2HB      SER   5  14.791   5.809   3.796
   23    HG   SER   5           HG       SER   5  15.037   6.796   1.729
   24    H    SER   6           H        SER   6  15.659   5.866   6.524
   25    HA   SER   6           HA       SER   6  16.846   3.522   7.689
   26    HB2  SER   6           1HB      SER   6  14.370   5.053   8.560
   27    HB3  SER   6           2HB      SER   6  15.341   3.950   9.555
   28    HG   SER   6           HG       SER   6  15.901   6.151   9.905
   29    H    GLY   7           H        GLY   7  14.324   3.700   5.426
   30    HA2  GLY   7           1HA      GLY   7  13.747   0.899   5.464
   31    HA3  GLY   7           2HA      GLY   7  12.413   1.796   6.201
   32    H    HIS   8           H        HIS   8  11.484   0.601   4.188
   33    HA   HIS   8           HA       HIS   8  11.426   2.476   1.864
   34    HB2  HIS   8           1HB      HIS   8  11.546  -0.559   1.713
   35    HB3  HIS   8           2HB      HIS   8  11.341   0.539   0.350
   36    HD1  HIS   8           1HD      HIS   8  13.573   2.242  -0.085
   37    HD2  HIS   8           2HD      HIS   8  14.019  -1.114   2.418
   38    HE1  HIS   8           1HE      HIS   8  16.081   1.851   0.144
   39    H    LEU   9           H        LEU   9   9.511   2.637   0.748
   40    HA   LEU   9           HA       LEU   9   7.070   1.560   2.095
   41    HB2  LEU   9           1HB      LEU   9   7.557   4.187   0.649
   42    HB3  LEU   9           2HB      LEU   9   5.963   3.617   1.114
   43    HG   LEU   9           HG       LEU   9   8.209   4.145   3.106
   44   HD11  LEU   9          1HD1      LEU   9   6.958   6.186   3.669
   45   HD12  LEU   9          2HD1      LEU   9   5.794   5.848   2.367
   46   HD13  LEU   9          3HD1      LEU   9   7.489   6.216   1.981
   47   HD21  LEU   9          3HD2      LEU   9   6.530   2.553   3.958
   48   HD22  LEU   9          1HD2      LEU   9   5.218   3.659   3.489
   49   HD23  LEU   9          2HD2      LEU   9   6.367   4.110   4.770
   50    H    TYR  10           H        TYR  10   5.434   0.776   0.957
   51    HA   TYR  10           HA       TYR  10   5.759   0.277  -1.975
   52    HB2  TYR  10           1HB      TYR  10   4.570  -1.499   0.194
   53    HB3  TYR  10           2HB      TYR  10   4.501  -1.825  -1.532
   54    HD1  TYR  10           2HD      TYR  10   6.896  -1.347   1.313
   55    HD2  TYR  10           1HD      TYR  10   6.294  -2.916  -2.659
   56    HE1  TYR  10           2HE      TYR  10   9.132  -2.458   1.408
   57    HE2  TYR  10           1HE      TYR  10   8.504  -4.051  -2.547
   58    HH   TYR  10           HH       TYR  10  10.386  -4.442  -1.295
   59    H    TYR  11           H        TYR  11   4.052   0.823  -3.245
   60    HA   TYR  11           HA       TYR  11   1.941   2.450  -1.937
   61    HB2  TYR  11           1HB      TYR  11   3.186   2.547  -4.696
   62    HB3  TYR  11           2HB      TYR  11   1.795   3.503  -4.217
   63    HD1  TYR  11           1HD      TYR  11   5.408   2.878  -3.371
   64    HD2  TYR  11           2HD      TYR  11   2.032   5.558  -3.070
   65    HE1  TYR  11           1HE      TYR  11   6.880   4.622  -2.396
   66    HE2  TYR  11           2HE      TYR  11   3.521   7.312  -2.114
   67    HH   TYR  11           HH       TYR  11   7.025   6.761  -1.584
   68    H    CYS  12           H        CYS  12  -0.166   2.398  -2.452
   69    HA   CYS  12           HA       CYS  12  -1.432  -0.048  -3.079
   70    HB2  CYS  12           1HB      CYS  12  -2.297   1.736  -1.647
   71    HB3  CYS  12           2HB      CYS  12  -2.436   2.819  -3.041
   72    H    SER  13           H        SER  13  -2.823  -0.608  -4.778
   73    HA   SER  13           HA       SER  13  -1.875   0.074  -7.486
   74    HB2  SER  13           1HB      SER  13  -3.339  -1.782  -8.177
   75    HB3  SER  13           2HB      SER  13  -2.197  -2.264  -6.914
   76    HG   SER  13           HG       SER  13  -4.259  -3.048  -6.431
   77    H    GLN  14           H        GLN  14  -4.412   1.082  -5.388
   78    HA   GLN  14           HA       GLN  14  -6.052   2.130  -7.681
   79    HB2  GLN  14           1HB      GLN  14  -6.864   0.680  -5.142
   80    HB3  GLN  14           2HB      GLN  14  -8.010   1.648  -6.078
   81    HG2  GLN  14           1HG      GLN  14  -7.671   0.300  -8.063
   82    HG3  GLN  14           2HG      GLN  14  -6.383  -0.624  -7.292
   83   HE21  GLN  14          1HE2      GLN  14  -6.921  -2.265  -5.746
   84   HE22  GLN  14          2HE2      GLN  14  -8.598  -2.825  -5.625
   85    H    CYS  15           H        CYS  15  -4.368   3.142  -4.873
   86    HA   CYS  15           HA       CYS  15  -5.404   5.843  -5.269
   87    HB2  CYS  15           1HB      CYS  15  -6.084   6.259  -3.008
   88    HB3  CYS  15           2HB      CYS  15  -6.984   4.883  -3.622
   89    H    HIS  16           H        HIS  16  -4.262   7.186  -3.240
   90    HA   HIS  16           HA       HIS  16  -1.422   7.066  -3.974
   91    HB2  HIS  16           1HB      HIS  16  -1.293   9.283  -3.039
   92    HB3  HIS  16           2HB      HIS  16  -2.678   9.169  -4.111
   93    HD1  HIS  16           1HD      HIS  16  -1.896   9.340  -0.325
   94    HD2  HIS  16           2HD      HIS  16  -5.066   9.718  -3.068
   95    HE1  HIS  16           1HE      HIS  16  -3.889  10.226   1.003
   96    H    TYR  17           H        TYR  17  -3.041   5.460  -1.590
   97    HA   TYR  17           HA       TYR  17  -1.527   5.982   0.775
   98    HB2  TYR  17           1HB      TYR  17  -3.687   4.848   0.768
   99    HB3  TYR  17           2HB      TYR  17  -3.020   3.518  -0.172
  100    HD1  TYR  17           1HD      TYR  17  -3.128   5.099   3.175
  101    HD2  TYR  17           2HD      TYR  17  -1.647   1.784   0.841
  102    HE1  TYR  17           1HE      TYR  17  -2.547   3.881   5.268
  103    HE2  TYR  17           2HE      TYR  17  -1.061   0.575   2.938
  104    HH   TYR  17           HH       TYR  17  -1.681   1.968   6.180
  105    H    SER  18           H        SER  18   0.141   4.835   1.789
  106    HA   SER  18           HA       SER  18   1.441   2.625   0.435
  107    HB2  SER  18           1HB      SER  18   3.713   3.517   0.529
  108    HB3  SER  18           2HB      SER  18   2.690   4.483  -0.537
  109    HG   SER  18           HG       SER  18   2.504   6.040   1.092
  110    H    SER  19           H        SER  19   2.865   1.402   1.746
  111    HA   SER  19           HA       SER  19   3.046   2.042   4.630
  112    HB2  SER  19           1HB      SER  19   0.917   0.721   4.231
  113    HB3  SER  19           2HB      SER  19   1.941  -0.642   3.734
  114    HG   SER  19           HG       SER  19   1.313  -0.540   6.030
  115    H    ILE  20           H        ILE  20   4.445   0.398   5.782
  116    HA   ILE  20           HA       ILE  20   6.845  -0.159   4.183
  117    HB   ILE  20           HB       ILE  20   7.946  -0.846   6.148
  118   HG12  ILE  20          1HG1      ILE  20   6.336  -2.030   7.463
  119   HG13  ILE  20          2HG1      ILE  20   7.081  -0.760   8.402
  120   HG21  ILE  20          1HG2      ILE  20   7.913   1.518   5.647
  121   HG22  ILE  20          2HG2      ILE  20   6.449   1.755   6.624
  122   HG23  ILE  20          3HG2      ILE  20   7.968   1.262   7.395
  123   HD11  ILE  20          3HD1      ILE  20   4.763  -0.869   8.989
  124   HD12  ILE  20          1HD1      ILE  20   4.997   0.641   8.092
  125   HD13  ILE  20          2HD1      ILE  20   4.247  -0.773   7.305
  126    H    THR  21           H        THR  21   7.566  -2.072   3.537
  127    HA   THR  21           HA       THR  21   7.498  -4.104   2.610
  128    HB   THR  21           HB       THR  21   6.813  -6.052   3.673
  129    HG1  THR  21           1HG      THR  21   5.175  -4.372   5.210
  130   HG21  THR  21          3HG2      THR  21   8.704  -4.908   4.814
  131   HG22  THR  21          1HG2      THR  21   7.749  -5.940   5.893
  132   HG23  THR  21          2HG2      THR  21   7.549  -4.179   5.956
  133    H    LYS  22           H        LYS  22   6.461  -5.327   1.077
  134    HA   LYS  22           HA       LYS  22   3.881  -4.453   0.077
  135    HB2  LYS  22           1HB      LYS  22   5.791  -5.393  -1.271
  136    HB3  LYS  22           2HB      LYS  22   5.441  -6.987  -0.589
  137    HG2  LYS  22           1HG      LYS  22   3.187  -6.940  -1.609
  138    HG3  LYS  22           2HG      LYS  22   3.474  -5.288  -2.197
  139    HD2  LYS  22           1HD      LYS  22   5.354  -6.114  -3.593
  140    HD3  LYS  22           2HD      LYS  22   5.070  -7.765  -2.999
  141    HE2  LYS  22           1HE      LYS  22   2.770  -7.701  -3.941
  142    HE3  LYS  22           2HE      LYS  22   3.052  -6.058  -4.529
  143    HZ1  LYS  22           3HZ      LYS  22   4.571  -8.463  -5.401
  144    HZ2  LYS  22           1HZ      LYS  22   4.832  -6.944  -5.946
  145    HZ3  LYS  22           2HZ      LYS  22   3.426  -7.701  -6.280
  146    H    ASN  23           H        ASN  23   4.871  -6.895   2.375
  147    HA   ASN  23           HA       ASN  23   2.523  -8.525   2.369
  148    HB2  ASN  23           1HB      ASN  23   4.572  -7.976   4.571
  149    HB3  ASN  23           2HB      ASN  23   3.398  -9.287   4.577
  150   HD21  ASN  23          1HD2      ASN  23   3.660 -11.056   3.026
  151   HD22  ASN  23          2HD2      ASN  23   5.221 -11.292   2.258
  152    H    CYS  24           H        CYS  24   3.377  -5.665   4.431
  153    HA   CYS  24           HA       CYS  24   0.850  -5.755   5.838
  154    HB2  CYS  24           1HB      CYS  24   3.052  -4.711   6.625
  155    HB3  CYS  24           2HB      CYS  24   2.662  -3.338   5.566
  156    HG   CYS  24           HG       CYS  24   0.235  -2.943   6.596
  157    H    LEU  25           H        LEU  25   1.928  -4.026   2.899
  158    HA   LEU  25           HA       LEU  25  -0.196  -2.295   2.532
  159    HB2  LEU  25           1HB      LEU  25   1.869  -2.312   1.208
  160    HB3  LEU  25           2HB      LEU  25   1.422  -3.861   0.498
  161    HG   LEU  25           HG       LEU  25  -0.535  -2.792  -0.619
  162   HD11  LEU  25          1HD1      LEU  25   0.672  -0.204   0.463
  163   HD12  LEU  25          2HD1      LEU  25  -0.928  -0.871   0.868
  164   HD13  LEU  25          3HD1      LEU  25  -0.599  -0.314  -0.774
  165   HD21  LEU  25          3HD2      LEU  25   1.660  -3.076  -1.732
  166   HD22  LEU  25          1HD2      LEU  25   2.111  -1.440  -1.203
  167   HD23  LEU  25          2HD2      LEU  25   0.748  -1.682  -2.320
  168    H    LYS  26           H        LYS  26  -0.199  -5.809   1.937
  169    HA   LYS  26           HA       LYS  26  -2.602  -6.051   0.432
  170    HB2  LYS  26           1HB      LYS  26  -1.591  -7.905   2.641
  171    HB3  LYS  26           2HB      LYS  26  -2.778  -8.322   1.418
  172    HG2  LYS  26           1HG      LYS  26   0.172  -7.740   0.985
  173    HG3  LYS  26           2HG      LYS  26  -0.629  -9.293   0.867
  174    HD2  LYS  26           1HD      LYS  26  -1.026  -6.932  -1.024
  175    HD3  LYS  26           2HD      LYS  26  -0.095  -8.397  -1.339
  176    HE2  LYS  26           1HE      LYS  26  -2.178  -9.764  -1.051
  177    HE3  LYS  26           2HE      LYS  26  -3.106  -8.274  -0.839
  178    HZ1  LYS  26           3HZ      LYS  26  -1.579  -9.007  -3.284
  179    HZ2  LYS  26           1HZ      LYS  26  -2.420  -7.618  -3.096
  180    HZ3  LYS  26           2HZ      LYS  26  -3.200  -9.051  -3.135
  181    H    ARG  27           H        ARG  27  -2.223  -5.481   3.911
  182    HA   ARG  27           HA       ARG  27  -4.946  -6.056   4.684
  183    HB2  ARG  27           1HB      ARG  27  -2.916  -4.174   5.973
  184    HB3  ARG  27           2HB      ARG  27  -4.382  -4.786   6.734
  185    HG2  ARG  27           1HG      ARG  27  -3.530  -7.072   6.727
  186    HG3  ARG  27           2HG      ARG  27  -2.129  -6.604   5.756
  187    HD2  ARG  27           1HD      ARG  27  -1.390  -6.823   8.015
  188    HD3  ARG  27           2HD      ARG  27  -1.345  -5.115   7.554
  189    HE   ARG  27           HE       ARG  27  -3.783  -6.033   8.957
  190   HH11  ARG  27          2HH1      ARG  27  -0.658  -4.498   9.392
  191   HH12  ARG  27          1HH1      ARG  27  -1.092  -3.860  10.953
  192   HH21  ARG  27          2HH2      ARG  27  -4.262  -5.183  10.955
  193   HH22  ARG  27          1HH2      ARG  27  -3.078  -4.234  11.803
  194    H    HIS  28           H        HIS  28  -3.393  -3.054   3.549
  195    HA   HIS  28           HA       HIS  28  -5.708  -1.354   3.838
  196    HB2  HIS  28           1HB      HIS  28  -3.581  -0.330   3.549
  197    HB3  HIS  28           2HB      HIS  28  -3.230  -1.247   2.087
  198    HD1  HIS  28           1HD      HIS  28  -5.255   1.799   3.201
  199    HD2  HIS  28           2HD      HIS  28  -4.252  -0.417  -0.223
  200    HE1  HIS  28           1HE      HIS  28  -6.079   3.167   1.231
  201    H    VAL  29           H        VAL  29  -4.543  -3.364   1.065
  202    HA   VAL  29           HA       VAL  29  -6.717  -2.606  -0.662
  203    HB   VAL  29           HB       VAL  29  -4.996  -5.104  -0.773
  204   HG11  VAL  29          1HG1      VAL  29  -5.553  -5.072  -3.203
  205   HG12  VAL  29          2HG1      VAL  29  -6.980  -5.349  -2.208
  206   HG13  VAL  29          3HG1      VAL  29  -6.695  -3.742  -2.913
  207   HG21  VAL  29          3HG2      VAL  29  -4.665  -2.388  -2.130
  208   HG22  VAL  29          1HG2      VAL  29  -3.609  -3.057  -0.867
  209   HG23  VAL  29          2HG2      VAL  29  -3.677  -3.827  -2.450
  210    H    ILE  30           H        ILE  30  -6.384  -5.288   1.656
  211    HA   ILE  30           HA       ILE  30  -8.894  -6.563   1.117
  212    HB   ILE  30           HB       ILE  30  -7.081  -6.461   3.549
  213   HG12  ILE  30          1HG1      ILE  30  -7.662  -8.787   1.671
  214   HG13  ILE  30          2HG1      ILE  30  -6.394  -7.630   1.327
  215   HG21  ILE  30          1HG2      ILE  30  -9.563  -8.196   3.177
  216   HG22  ILE  30          2HG2      ILE  30  -8.351  -8.412   4.455
  217   HG23  ILE  30          3HG2      ILE  30  -9.321  -6.953   4.426
  218   HD11  ILE  30          3HD1      ILE  30  -6.513  -9.478   3.742
  219   HD12  ILE  30          1HD1      ILE  30  -5.395  -9.544   2.372
  220   HD13  ILE  30          2HD1      ILE  30  -5.303  -8.192   3.517
  221    H    GLN  31           H        GLN  31  -8.070  -3.939   3.437
  222    HA   GLN  31           HA       GLN  31 -10.817  -3.927   4.469
  223    HB2  GLN  31           1HB      GLN  31  -8.318  -2.361   5.190
  224    HB3  GLN  31           2HB      GLN  31  -9.868  -2.201   6.023
  225    HG2  GLN  31           1HG      GLN  31  -9.833  -4.573   6.661
  226    HG3  GLN  31           2HG      GLN  31  -8.308  -4.815   5.812
  227   HE21  GLN  31          1HE2      GLN  31  -8.070  -5.612   8.290
  228   HE22  GLN  31          2HE2      GLN  31  -7.327  -4.397   9.323
  229    H    LYS  32           H        LYS  32  -8.921  -1.747   2.391
  230    HA   LYS  32           HA       LYS  32 -11.039   0.347   2.611
  231    HB2  LYS  32           1HB      LYS  32  -8.193   0.614   1.591
  232    HB3  LYS  32           2HB      LYS  32  -9.321   1.915   1.943
  233    HG2  LYS  32           1HG      LYS  32  -8.041   0.042   3.981
  234    HG3  LYS  32           2HG      LYS  32  -7.651   1.735   3.695
  235    HD2  LYS  32           1HD      LYS  32  -9.931   2.400   4.429
  236    HD3  LYS  32           2HD      LYS  32 -10.312   0.698   4.770
  237    HE2  LYS  32           1HE      LYS  32  -8.436   0.589   6.385
  238    HE3  LYS  32           2HE      LYS  32  -8.046   2.282   6.054
  239    HZ1  LYS  32           3HZ      LYS  32 -10.244   2.890   6.914
  240    HZ2  LYS  32           1HZ      LYS  32  -9.414   2.062   8.048
  241    HZ3  LYS  32           2HZ      LYS  32 -10.611   1.326   7.219
  242    H    HIS  33           H        HIS  33 -10.108  -1.973   0.313
  243    HA   HIS  33           HA       HIS  33 -11.611  -0.466  -1.782
  244    HB2  HIS  33           1HB      HIS  33  -9.161  -2.205  -2.221
  245    HB3  HIS  33           2HB      HIS  33 -10.176  -1.528  -3.494
  246    HD1  HIS  33           1HD      HIS  33 -10.384   1.396  -3.137
  247    HD2  HIS  33           2HD      HIS  33  -7.046  -0.763  -1.778
  248    HE1  HIS  33           1HE      HIS  33  -8.536   3.104  -2.849
  249    H    SER  34           H        SER  34 -13.011  -1.568  -3.055
  250    HA   SER  34           HA       SER  34 -13.783  -4.331  -2.230
  251    HB2  SER  34           1HB      SER  34 -16.049  -3.671  -2.964
  252    HB3  SER  34           2HB      SER  34 -15.421  -2.650  -1.661
  253    HG   SER  34           HG       SER  34 -16.390  -1.416  -3.351
  254    H    ASN  35           H        ASN  35 -11.995  -3.096  -4.568
  255    HA   ASN  35           HA       ASN  35 -12.904  -4.940  -6.705
  256    HB2  ASN  35           1HB      ASN  35 -13.893  -2.687  -7.119
  257    HB3  ASN  35           2HB      ASN  35 -12.286  -1.962  -7.029
  258   HD21  ASN  35          2HD2      ASN  35 -14.092  -4.519  -8.850
  259   HD22  ASN  35          1HD2      ASN  35 -13.267  -4.175 -10.362
  260    H    ILE  36           H        ILE  36 -11.200  -5.215  -8.386
  261    HA   ILE  36           HA       ILE  36  -8.424  -4.699  -7.517
  262    HB   ILE  36           HB       ILE  36  -7.662  -6.889  -8.005
  263   HG12  ILE  36          1HG1      ILE  36  -9.143  -7.715  -9.709
  264   HG13  ILE  36          2HG1      ILE  36  -9.003  -8.849  -8.386
  265   HG21  ILE  36          1HG2      ILE  36  -9.926  -7.069  -5.987
  266   HG22  ILE  36          2HG2      ILE  36  -8.501  -8.120  -6.089
  267   HG23  ILE  36          3HG2      ILE  36  -8.308  -6.401  -5.704
  268   HD11  ILE  36          3HD1      ILE  36 -11.272  -8.854  -9.163
  269   HD12  ILE  36          1HD1      ILE  36 -11.270  -8.116  -7.553
  270   HD13  ILE  36          2HD1      ILE  36 -11.415  -7.102  -9.013
  271    H    LEU  37           H        LEU  37  -6.880  -4.713  -9.172
  272    HA   LEU  37           HA       LEU  37  -7.917  -4.349 -11.955
  273    HB2  LEU  37           1HB      LEU  37  -5.741  -2.779 -10.518
  274    HB3  LEU  37           2HB      LEU  37  -6.178  -2.601 -12.209
  275    HG   LEU  37           HG       LEU  37  -7.981  -1.934  -9.839
  276   HD11  LEU  37          1HD1      LEU  37  -7.618   0.389 -10.569
  277   HD12  LEU  37          2HD1      LEU  37  -6.522  -0.168 -11.851
  278   HD13  LEU  37          3HD1      LEU  37  -6.084  -0.388 -10.141
  279   HD21  LEU  37          3HD2      LEU  37  -8.411  -1.543 -12.838
  280   HD22  LEU  37          1HD2      LEU  37  -9.438  -0.871 -11.549
  281   HD23  LEU  37          2HD2      LEU  37  -9.343  -2.618 -11.771
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1  25.474   8.358   8.641
    2    H2   GLY   1           2H       GLY   1  26.259   8.688  10.040
    3    H3   GLY   1           3H       GLY   1  24.691   8.212  10.072
    4    HA2  GLY   1           1HA      GLY   1  26.974   6.556   9.204
    5    HA3  GLY   1           2HA      GLY   1  26.111   6.393  10.744
    6    H    SER   2           H        SER   2  25.663   4.189  10.163
    7    HA   SER   2           HA       SER   2  23.166   3.871   8.619
    8    HB2  SER   2           1HB      SER   2  24.904   3.452   6.939
    9    HB3  SER   2           2HB      SER   2  25.687   2.274   8.010
   10    HG   SER   2           HG       SER   2  24.242   1.376   6.378
   11    H    SER   3           H        SER   3  21.932   2.133   9.249
   12    HA   SER   3           HA       SER   3  22.555   0.814  11.810
   13    HB2  SER   3           1HB      SER   3  20.117   0.580  10.009
   14    HB3  SER   3           2HB      SER   3  20.273  -0.052  11.659
   15    HG   SER   3           HG       SER   3  19.201   1.982  11.607
   16    H    GLY   4           H        GLY   4  23.344   0.093   8.615
   17    HA2  GLY   4           1HA      GLY   4  24.266  -1.790   7.661
   18    HA3  GLY   4           2HA      GLY   4  24.114  -2.641   9.198
   19    H    SER   5           H        SER   5  21.155  -1.328   8.038
   20    HA   SER   5           HA       SER   5  20.294  -3.651   6.463
   21    HB2  SER   5           1HB      SER   5  19.991  -4.296   8.893
   22    HB3  SER   5           2HB      SER   5  18.845  -2.950   9.049
   23    HG   SER   5           HG       SER   5  17.838  -4.986   8.555
   24    H    SER   6           H        SER   6  18.062  -3.307   5.614
   25    HA   SER   6           HA       SER   6  17.207  -0.471   5.391
   26    HB2  SER   6           1HB      SER   6  17.319  -0.550   2.937
   27    HB3  SER   6           2HB      SER   6  18.915  -0.718   3.679
   28    HG   SER   6           HG       SER   6  18.581  -2.232   1.980
   29    H    GLY   7           H        GLY   7  15.253  -0.164   4.135
   30    HA2  GLY   7           1HA      GLY   7  13.478  -2.354   3.474
   31    HA3  GLY   7           2HA      GLY   7  12.983  -1.503   4.944
   32    H    HIS   8           H        HIS   8  11.359  -1.524   2.671
   33    HA   HIS   8           HA       HIS   8  11.561   1.250   1.574
   34    HB2  HIS   8           1HB      HIS   8  11.080  -1.289  -0.027
   35    HB3  HIS   8           2HB      HIS   8  11.050   0.353  -0.660
   36    HD1  HIS   8           1HD      HIS   8  13.553   1.681  -0.520
   37    HD2  HIS   8           2HD      HIS   8  13.417  -2.493   0.007
   38    HE1  HIS   8           1HE      HIS   8  15.939   0.844  -0.835
   39    H    LEU   9           H        LEU   9   9.716   2.198   0.808
   40    HA   LEU   9           HA       LEU   9   7.114   1.305   1.861
   41    HB2  LEU   9           1HB      LEU   9   8.062   3.713   0.258
   42    HB3  LEU   9           2HB      LEU   9   6.363   3.422   0.585
   43    HG   LEU   9           HG       LEU   9   8.419   3.713   2.812
   44   HD11  LEU   9          1HD1      LEU   9   7.578   6.020   3.051
   45   HD12  LEU   9          2HD1      LEU   9   6.571   5.813   1.600
   46   HD13  LEU   9          3HD1      LEU   9   8.342   5.780   1.472
   47   HD21  LEU   9          3HD2      LEU   9   5.370   3.950   2.772
   48   HD22  LEU   9          1HD2      LEU   9   6.421   4.200   4.183
   49   HD23  LEU   9          2HD2      LEU   9   6.295   2.599   3.453
   50    H    TYR  10           H        TYR  10   5.445   0.557   0.702
   51    HA   TYR  10           HA       TYR  10   5.679   0.238  -2.258
   52    HB2  TYR  10           1HB      TYR  10   4.432  -1.696  -0.270
   53    HB3  TYR  10           2HB      TYR  10   4.347  -1.829  -2.023
   54    HD1  TYR  10           1HD      TYR  10   6.584  -2.056   0.914
   55    HD2  TYR  10           2HD      TYR  10   6.270  -2.548  -3.355
   56    HE1  TYR  10           1HE      TYR  10   8.777  -3.252   0.893
   57    HE2  TYR  10           2HE      TYR  10   8.452  -3.758  -3.374
   58    HH   TYR  10           HH       TYR  10  10.339  -4.340  -0.383
   59    H    TYR  11           H        TYR  11   3.845   0.736  -3.426
   60    HA   TYR  11           HA       TYR  11   1.911   2.478  -1.972
   61    HB2  TYR  11           1HB      TYR  11   3.091   2.635  -4.759
   62    HB3  TYR  11           2HB      TYR  11   1.756   3.629  -4.204
   63    HD1  TYR  11           1HD      TYR  11   5.345   2.785  -3.400
   64    HD2  TYR  11           2HD      TYR  11   2.140   5.662  -3.084
   65    HE1  TYR  11           1HE      TYR  11   6.913   4.424  -2.377
   66    HE2  TYR  11           2HE      TYR  11   3.719   7.306  -2.093
   67    HH   TYR  11           HH       TYR  11   5.868   7.709  -1.398
   68    H    CYS  12           H        CYS  12  -0.222   2.505  -2.419
   69    HA   CYS  12           HA       CYS  12  -1.538   0.102  -3.160
   70    HB2  CYS  12           1HB      CYS  12  -2.320   1.772  -1.547
   71    HB3  CYS  12           2HB      CYS  12  -2.523   2.956  -2.846
   72    H    SER  13           H        SER  13  -2.814  -0.430  -4.886
   73    HA   SER  13           HA       SER  13  -2.071   0.684  -7.521
   74    HB2  SER  13           1HB      SER  13  -3.798  -1.694  -6.759
   75    HB3  SER  13           2HB      SER  13  -3.356  -1.231  -8.414
   76    HG   SER  13           HG       SER  13  -1.948  -2.834  -7.569
   77    H    GLN  14           H        GLN  14  -4.609   1.175  -5.257
   78    HA   GLN  14           HA       GLN  14  -6.483   2.188  -7.381
   79    HB2  GLN  14           1HB      GLN  14  -6.970   0.981  -4.644
   80    HB3  GLN  14           2HB      GLN  14  -8.183   1.939  -5.478
   81    HG2  GLN  14           1HG      GLN  14  -8.705  -0.320  -5.909
   82    HG3  GLN  14           2HG      GLN  14  -8.114   0.377  -7.413
   83   HE21  GLN  14          1HE2      GLN  14  -6.834  -1.444  -4.532
   84   HE22  GLN  14          2HE2      GLN  14  -5.818  -2.494  -5.509
   85    H    CYS  15           H        CYS  15  -4.590   3.240  -4.614
   86    HA   CYS  15           HA       CYS  15  -5.569   5.987  -4.993
   87    HB2  CYS  15           1HB      CYS  15  -6.240   6.345  -2.738
   88    HB3  CYS  15           2HB      CYS  15  -7.117   4.951  -3.342
   89    H    HIS  16           H        HIS  16  -4.401   7.279  -2.955
   90    HA   HIS  16           HA       HIS  16  -1.590   7.231  -3.774
   91    HB2  HIS  16           1HB      HIS  16  -3.087   9.149  -1.956
   92    HB3  HIS  16           2HB      HIS  16  -1.484   9.401  -2.644
   93    HD1  HIS  16           1HD      HIS  16  -4.896  10.428  -3.334
   94    HD2  HIS  16           2HD      HIS  16  -1.587   9.147  -5.600
   95    HE1  HIS  16           1HE      HIS  16  -5.311  11.229  -5.719
   96    H    TYR  17           H        TYR  17  -3.098   5.527  -1.358
   97    HA   TYR  17           HA       TYR  17  -1.480   5.988   0.945
   98    HB2  TYR  17           1HB      TYR  17  -3.637   4.845   0.992
   99    HB3  TYR  17           2HB      TYR  17  -2.998   3.541   0.000
  100    HD1  TYR  17           1HD      TYR  17  -3.005   5.048   3.383
  101    HD2  TYR  17           2HD      TYR  17  -1.578   1.798   0.930
  102    HE1  TYR  17           1HE      TYR  17  -2.359   3.784   5.430
  103    HE2  TYR  17           2HE      TYR  17  -0.923   0.540   2.982
  104    HH   TYR  17           HH       TYR  17  -1.461   1.854   6.271
  105    H    SER  18           H        SER  18   0.255   4.863   1.849
  106    HA   SER  18           HA       SER  18   1.515   2.676   0.397
  107    HB2  SER  18           1HB      SER  18   3.777   3.620   0.456
  108    HB3  SER  18           2HB      SER  18   2.687   4.582  -0.552
  109    HG   SER  18           HG       SER  18   3.910   5.950   0.766
  110    H    SER  19           H        SER  19   2.934   1.403   1.628
  111    HA   SER  19           HA       SER  19   3.339   2.007   4.483
  112    HB2  SER  19           1HB      SER  19   1.128   0.819   4.326
  113    HB3  SER  19           2HB      SER  19   1.985  -0.597   3.684
  114    HG   SER  19           HG       SER  19   1.596  -0.389   6.084
  115    H    ILE  20           H        ILE  20   4.904   0.537   5.498
  116    HA   ILE  20           HA       ILE  20   6.988  -0.278   3.587
  117    HB   ILE  20           HB       ILE  20   8.349  -0.832   5.563
  118   HG12  ILE  20          1HG1      ILE  20   6.098   0.423   7.205
  119   HG13  ILE  20          2HG1      ILE  20   6.533  -1.287   7.207
  120   HG21  ILE  20          1HG2      ILE  20   8.386   1.369   4.361
  121   HG22  ILE  20          2HG2      ILE  20   7.281   2.018   5.597
  122   HG23  ILE  20          3HG2      ILE  20   8.909   1.468   6.040
  123   HD11  ILE  20          3HD1      ILE  20   7.489  -0.270   9.154
  124   HD12  ILE  20          1HD1      ILE  20   8.812  -0.691   8.048
  125   HD13  ILE  20          2HD1      ILE  20   8.267   1.000   8.201
  126    H    THR  21           H        THR  21   7.579  -2.247   3.048
  127    HA   THR  21           HA       THR  21   7.398  -4.416   2.492
  128    HB   THR  21           HB       THR  21   6.311  -4.917   5.272
  129    HG1  THR  21           1HG      THR  21   8.472  -5.293   5.737
  130   HG21  THR  21          3HG2      THR  21   5.998  -6.901   3.875
  131   HG22  THR  21          1HG2      THR  21   7.360  -7.158   4.962
  132   HG23  THR  21          2HG2      THR  21   7.662  -6.767   3.255
  133    H    LYS  22           H        LYS  22   6.146  -5.620   1.218
  134    HA   LYS  22           HA       LYS  22   3.568  -4.713   0.487
  135    HB2  LYS  22           1HB      LYS  22   4.954  -7.363  -0.110
  136    HB3  LYS  22           2HB      LYS  22   3.479  -6.788  -0.905
  137    HG2  LYS  22           1HG      LYS  22   4.681  -4.785  -1.737
  138    HG3  LYS  22           2HG      LYS  22   6.158  -5.333  -0.937
  139    HD2  LYS  22           1HD      LYS  22   6.327  -5.866  -3.262
  140    HD3  LYS  22           2HD      LYS  22   6.173  -7.376  -2.354
  141    HE2  LYS  22           1HE      LYS  22   3.759  -7.483  -2.947
  142    HE3  LYS  22           2HE      LYS  22   3.896  -5.944  -3.807
  143    HZ1  LYS  22           3HZ      LYS  22   4.051  -7.829  -5.330
  144    HZ2  LYS  22           1HZ      LYS  22   5.342  -8.437  -4.538
  145    HZ3  LYS  22           2HZ      LYS  22   5.465  -7.015  -5.335
  146    H    ASN  23           H        ASN  23   4.384  -7.298   2.745
  147    HA   ASN  23           HA       ASN  23   1.788  -8.445   3.016
  148    HB2  ASN  23           1HB      ASN  23   3.942  -9.452   3.798
  149    HB3  ASN  23           2HB      ASN  23   4.041  -8.227   5.068
  150   HD21  ASN  23          1HD2      ASN  23   2.196 -11.064   3.923
  151   HD22  ASN  23          2HD2      ASN  23   1.435 -11.360   5.479
  152    H    CYS  24           H        CYS  24   3.009  -5.384   4.283
  153    HA   CYS  24           HA       CYS  24   0.690  -5.050   6.098
  154    HB2  CYS  24           1HB      CYS  24   3.003  -3.213   5.385
  155    HB3  CYS  24           2HB      CYS  24   1.748  -2.872   6.586
  156    HG   CYS  24           HG       CYS  24   4.048  -3.604   7.719
  157    H    LEU  25           H        LEU  25   1.915  -3.665   2.991
  158    HA   LEU  25           HA       LEU  25  -0.201  -1.934   2.473
  159    HB2  LEU  25           1HB      LEU  25   1.871  -1.981   1.166
  160    HB3  LEU  25           2HB      LEU  25   1.486  -3.598   0.571
  161    HG   LEU  25           HG       LEU  25  -0.517  -2.683  -0.622
  162   HD11  LEU  25          1HD1      LEU  25   0.601   0.018   0.255
  163   HD12  LEU  25          2HD1      LEU  25  -0.969  -0.678   0.729
  164   HD13  LEU  25          3HD1      LEU  25  -0.679  -0.235  -0.951
  165   HD21  LEU  25          3HD2      LEU  25   2.071  -1.291  -1.323
  166   HD22  LEU  25          1HD2      LEU  25   0.711  -1.640  -2.409
  167   HD23  LEU  25          2HD2      LEU  25   1.666  -2.970  -1.741
  168    H    LYS  26           H        LYS  26   0.005  -5.437   1.754
  169    HA   LYS  26           HA       LYS  26  -2.382  -5.799   0.322
  170    HB2  LYS  26           1HB      LYS  26  -0.570  -7.475   0.737
  171    HB3  LYS  26           2HB      LYS  26  -1.160  -7.684   2.393
  172    HG2  LYS  26           1HG      LYS  26  -3.334  -8.493   1.511
  173    HG3  LYS  26           2HG      LYS  26  -2.773  -8.217  -0.149
  174    HD2  LYS  26           1HD      LYS  26  -0.962  -9.886   0.196
  175    HD3  LYS  26           2HD      LYS  26  -1.532 -10.155   1.859
  176    HE2  LYS  26           1HE      LYS  26  -3.741 -10.883   0.981
  177    HE3  LYS  26           2HE      LYS  26  -3.178 -10.609  -0.673
  178    HZ1  LYS  26           3HZ      LYS  26  -2.977 -12.945  -0.048
  179    HZ2  LYS  26           1HZ      LYS  26  -2.011 -12.587   1.216
  180    HZ3  LYS  26           2HZ      LYS  26  -1.490 -12.332  -0.312
  181    H    ARG  27           H        ARG  27  -2.043  -5.339   3.808
  182    HA   ARG  27           HA       ARG  27  -4.735  -6.139   4.538
  183    HB2  ARG  27           1HB      ARG  27  -2.907  -4.226   6.053
  184    HB3  ARG  27           2HB      ARG  27  -4.223  -5.201   6.711
  185    HG2  ARG  27           1HG      ARG  27  -2.943  -7.276   6.244
  186    HG3  ARG  27           2HG      ARG  27  -1.657  -6.315   5.501
  187    HD2  ARG  27           1HD      ARG  27  -1.433  -5.087   7.724
  188    HD3  ARG  27           2HD      ARG  27  -2.449  -6.373   8.412
  189    HE   ARG  27           HE       ARG  27  -0.201  -7.411   6.865
  190   HH11  ARG  27          2HH1      ARG  27  -0.911  -6.063  10.026
  191   HH12  ARG  27          1HH1      ARG  27   0.465  -6.835  10.764
  192   HH21  ARG  27          2HH2      ARG  27   1.516  -8.408   7.887
  193   HH22  ARG  27          1HH2      ARG  27   1.797  -8.113   9.580
  194    H    HIS  28           H        HIS  28  -3.284  -2.981   3.701
  195    HA   HIS  28           HA       HIS  28  -5.696  -1.417   4.005
  196    HB2  HIS  28           1HB      HIS  28  -3.647  -0.236   3.841
  197    HB3  HIS  28           2HB      HIS  28  -3.150  -1.085   2.386
  198    HD1  HIS  28           1HD      HIS  28  -5.295   1.867   3.444
  199    HD2  HIS  28           2HD      HIS  28  -4.187  -0.310   0.025
  200    HE1  HIS  28           1HE      HIS  28  -6.071   3.251   1.465
  201    H    VAL  29           H        VAL  29  -4.334  -3.228   1.196
  202    HA   VAL  29           HA       VAL  29  -6.443  -2.518  -0.604
  203    HB   VAL  29           HB       VAL  29  -4.645  -4.965  -0.660
  204   HG11  VAL  29          1HG1      VAL  29  -6.581  -5.308  -2.141
  205   HG12  VAL  29          2HG1      VAL  29  -6.345  -3.694  -2.850
  206   HG13  VAL  29          3HG1      VAL  29  -5.138  -4.976  -3.099
  207   HG21  VAL  29          3HG2      VAL  29  -4.406  -2.260  -2.064
  208   HG22  VAL  29          1HG2      VAL  29  -3.373  -2.826  -0.739
  209   HG23  VAL  29          2HG2      VAL  29  -3.328  -3.654  -2.293
  210    H    ILE  30           H        ILE  30  -6.167  -5.329   1.599
  211    HA   ILE  30           HA       ILE  30  -8.673  -6.545   0.961
  212    HB   ILE  30           HB       ILE  30  -6.943  -6.526   3.457
  213   HG12  ILE  30          1HG1      ILE  30  -7.509  -8.789   1.501
  214   HG13  ILE  30          2HG1      ILE  30  -6.195  -7.662   1.248
  215   HG21  ILE  30          1HG2      ILE  30  -9.447  -8.204   2.977
  216   HG22  ILE  30          2HG2      ILE  30  -8.280  -8.468   4.288
  217   HG23  ILE  30          3HG2      ILE  30  -9.217  -6.991   4.258
  218   HD11  ILE  30          3HD1      ILE  30  -6.473  -9.556   3.618
  219   HD12  ILE  30          1HD1      ILE  30  -5.328  -9.660   2.281
  220   HD13  ILE  30          2HD1      ILE  30  -5.200  -8.324   3.442
  221    H    GLN  31           H        GLN  31  -7.906  -4.005   3.387
  222    HA   GLN  31           HA       GLN  31 -10.609  -3.993   4.434
  223    HB2  GLN  31           1HB      GLN  31  -8.160  -2.263   4.898
  224    HB3  GLN  31           2HB      GLN  31  -9.690  -2.014   5.748
  225    HG2  GLN  31           1HG      GLN  31  -9.621  -4.227   6.732
  226    HG3  GLN  31           2HG      GLN  31  -8.202  -4.674   5.795
  227   HE21  GLN  31          1HE2      GLN  31  -7.634  -5.175   8.239
  228   HE22  GLN  31          2HE2      GLN  31  -6.778  -3.873   9.051
  229    H    LYS  32           H        LYS  32  -8.920  -1.870   2.127
  230    HA   LYS  32           HA       LYS  32 -11.228   0.035   2.163
  231    HB2  LYS  32           1HB      LYS  32  -8.388   0.428   1.152
  232    HB3  LYS  32           2HB      LYS  32  -9.628   1.665   1.297
  233    HG2  LYS  32           1HG      LYS  32  -8.291   0.179   3.601
  234    HG3  LYS  32           2HG      LYS  32  -8.019   1.848   3.105
  235    HD2  LYS  32           1HD      LYS  32 -10.385   2.402   3.666
  236    HD3  LYS  32           2HD      LYS  32 -10.623   0.737   4.243
  237    HE2  LYS  32           1HE      LYS  32  -8.803   1.040   5.899
  238    HE3  LYS  32           2HE      LYS  32  -8.559   2.698   5.333
  239    HZ1  LYS  32           3HZ      LYS  32 -11.066   1.678   6.566
  240    HZ2  LYS  32           1HZ      LYS  32 -10.835   3.208   6.044
  241    HZ3  LYS  32           2HZ      LYS  32  -9.974   2.637   7.306
  242    H    HIS  33           H        HIS  33  -9.926  -2.318   0.014
  243    HA   HIS  33           HA       HIS  33 -11.447  -1.119  -2.264
  244    HB2  HIS  33           1HB      HIS  33  -8.668  -2.332  -2.433
  245    HB3  HIS  33           2HB      HIS  33  -9.601  -1.655  -3.763
  246    HD1  HIS  33           1HD      HIS  33 -10.352   1.166  -2.953
  247    HD2  HIS  33           2HD      HIS  33  -6.807  -0.702  -1.698
  248    HE1  HIS  33           1HE      HIS  33  -8.778   3.044  -2.301
  249    H    SER  34           H        SER  34 -11.785  -2.654  -4.079
  250    HA   SER  34           HA       SER  34 -11.587  -5.515  -3.568
  251    HB2  SER  34           1HB      SER  34 -13.718  -4.938  -2.395
  252    HB3  SER  34           2HB      SER  34 -14.354  -4.292  -3.922
  253    HG   SER  34           HG       SER  34 -14.973  -6.478  -3.577
  254    H    ASN  35           H        ASN  35 -12.004  -6.770  -5.405
  255    HA   ASN  35           HA       ASN  35 -12.525  -5.407  -8.005
  256    HB2  ASN  35           1HB      ASN  35 -10.355  -7.481  -7.444
  257    HB3  ASN  35           2HB      ASN  35 -10.816  -6.919  -9.049
  258   HD21  ASN  35          1HD2      ASN  35 -10.474  -4.596  -9.575
  259   HD22  ASN  35          2HD2      ASN  35  -9.176  -3.761  -8.736
  260    H    ILE  36           H        ILE  36 -13.989  -7.266  -5.919
  261    HA   ILE  36           HA       ILE  36 -15.104  -9.221  -7.874
  262    HB   ILE  36           HB       ILE  36 -15.139 -10.943  -6.114
  263   HG12  ILE  36          1HG1      ILE  36 -13.278  -9.114  -4.526
  264   HG13  ILE  36          2HG1      ILE  36 -14.968  -9.428  -4.129
  265   HG21  ILE  36          1HG2      ILE  36 -13.364 -10.816  -7.880
  266   HG22  ILE  36          2HG2      ILE  36 -12.303 -10.008  -6.704
  267   HG23  ILE  36          3HG2      ILE  36 -12.862 -11.668  -6.419
  268   HD11  ILE  36          3HD1      ILE  36 -13.581 -10.806  -2.730
  269   HD12  ILE  36          1HD1      ILE  36 -14.434 -11.861  -3.874
  270   HD13  ILE  36          2HD1      ILE  36 -12.713 -11.469  -4.121
  271    H    LEU  37           H        LEU  37 -17.136 -10.159  -7.254
  272    HA   LEU  37           HA       LEU  37 -19.001  -8.180  -6.113
  273    HB2  LEU  37           1HB      LEU  37 -19.382 -10.805  -7.618
  274    HB3  LEU  37           2HB      LEU  37 -20.700  -9.919  -6.899
  275    HG   LEU  37           HG       LEU  37 -20.672  -9.519  -9.232
  276   HD11  LEU  37          1HD1      LEU  37 -19.703  -6.985  -7.857
  277   HD12  LEU  37          2HD1      LEU  37 -21.349  -7.651  -7.743
  278   HD13  LEU  37          3HD1      LEU  37 -20.718  -7.104  -9.307
  279   HD21  LEU  37          3HD2      LEU  37 -17.927  -8.238  -9.025
  280   HD22  LEU  37          1HD2      LEU  37 -18.929  -8.439 -10.470
  281   HD23  LEU  37          2HD2      LEU  37 -18.244  -9.866  -9.676
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1  10.841  15.302  -2.788
    2    H2   GLY   1           2H       GLY   1  12.202  15.365  -3.697
    3    H3   GLY   1           3H       GLY   1  12.273  15.664  -2.086
    4    HA2  GLY   1           1HA      GLY   1  11.584  13.075  -3.318
    5    HA3  GLY   1           2HA      GLY   1  13.139  13.467  -2.564
    6    H    SER   2           H        SER   2  12.021  11.305  -1.588
    7    HA   SER   2           HA       SER   2  11.176  12.022   1.155
    8    HB2  SER   2           1HB      SER   2   9.324  10.405   1.122
    9    HB3  SER   2           2HB      SER   2   9.057  11.736  -0.011
   10    HG   SER   2           HG       SER   2   8.562   9.713  -0.958
   11    H    SER   3           H        SER   3  11.233  10.152   2.634
   12    HA   SER   3           HA       SER   3  12.917   7.853   1.865
   13    HB2  SER   3           1HB      SER   3  14.552   8.294   3.643
   14    HB3  SER   3           2HB      SER   3  14.556   9.575   2.426
   15    HG   SER   3           HG       SER   3  14.592  10.420   4.558
   16    H    GLY   4           H        GLY   4  13.197   6.302   3.681
   17    HA2  GLY   4           1HA      GLY   4  11.742   6.279   6.084
   18    HA3  GLY   4           2HA      GLY   4  10.690   5.572   4.858
   19    H    SER   5           H        SER   5  10.877   3.661   6.286
   20    HA   SER   5           HA       SER   5  13.163   2.223   6.897
   21    HB2  SER   5           1HB      SER   5  10.442   1.088   6.159
   22    HB3  SER   5           2HB      SER   5  11.711   0.253   7.079
   23    HG   SER   5           HG       SER   5  10.201   1.211   8.493
   24    H    SER   6           H        SER   6  14.504   0.860   5.953
   25    HA   SER   6           HA       SER   6  15.889   0.172   4.343
   26    HB2  SER   6           1HB      SER   6  15.167  -1.702   3.016
   27    HB3  SER   6           2HB      SER   6  14.544  -1.786   4.663
   28    HG   SER   6           HG       SER   6  12.962  -2.334   3.096
   29    H    GLY   7           H        GLY   7  14.506   2.755   3.618
   30    HA2  GLY   7           1HA      GLY   7  14.792   4.305   1.963
   31    HA3  GLY   7           2HA      GLY   7  15.761   3.148   1.049
   32    H    HIS   8           H        HIS   8  12.608   1.906   1.785
   33    HA   HIS   8           HA       HIS   8  11.422   2.886  -0.754
   34    HB2  HIS   8           1HB      HIS   8  12.862   0.966  -1.361
   35    HB3  HIS   8           2HB      HIS   8  12.002  -0.052  -0.209
   36    HD1  HIS   8           1HD      HIS   8   9.443  -0.757  -0.936
   37    HD2  HIS   8           2HD      HIS   8  11.683   1.482  -3.710
   38    HE1  HIS   8           1HE      HIS   8   8.194  -0.910  -3.144
   39    H    LEU   9           H        LEU   9   9.415   3.429  -0.367
   40    HA   LEU   9           HA       LEU   9   7.718   1.884   1.547
   41    HB2  LEU   9           1HB      LEU   9   7.285   4.615   0.268
   42    HB3  LEU   9           2HB      LEU   9   6.095   3.745   1.211
   43    HG   LEU   9           HG       LEU   9   6.969   5.406   2.596
   44   HD11  LEU   9          1HD1      LEU   9   6.613   3.194   3.680
   45   HD12  LEU   9          2HD1      LEU   9   7.810   4.203   4.511
   46   HD13  LEU   9          3HD1      LEU   9   8.350   2.850   3.499
   47   HD21  LEU   9          3HD2      LEU   9   9.813   4.396   2.288
   48   HD22  LEU   9          1HD2      LEU   9   9.226   5.834   3.145
   49   HD23  LEU   9          2HD2      LEU   9   9.137   5.774   1.381
   50    H    TYR  10           H        TYR  10   5.835   0.930   0.872
   51    HA   TYR  10           HA       TYR  10   5.751   0.236  -2.029
   52    HB2  TYR  10           1HB      TYR  10   4.747  -1.211   0.443
   53    HB3  TYR  10           2HB      TYR  10   4.492  -1.745  -1.203
   54    HD1  TYR  10           1HD      TYR  10   7.383  -0.777   1.073
   55    HD2  TYR  10           2HD      TYR  10   5.931  -3.340  -2.087
   56    HE1  TYR  10           1HE      TYR  10   9.518  -2.049   1.124
   57    HE2  TYR  10           2HE      TYR  10   8.068  -4.606  -2.031
   58    HH   TYR  10           HH       TYR  10  10.136  -4.823  -1.058
   59    H    TYR  11           H        TYR  11   4.109   0.974  -3.211
   60    HA   TYR  11           HA       TYR  11   2.005   2.568  -1.849
   61    HB2  TYR  11           1HB      TYR  11   3.232   2.702  -4.608
   62    HB3  TYR  11           2HB      TYR  11   1.763   3.559  -4.187
   63    HD1  TYR  11           1HD      TYR  11   5.386   3.246  -3.287
   64    HD2  TYR  11           2HD      TYR  11   1.783   5.604  -2.982
   65    HE1  TYR  11           1HE      TYR  11   6.694   5.114  -2.305
   66    HE2  TYR  11           2HE      TYR  11   3.101   7.482  -2.011
   67    HH   TYR  11           HH       TYR  11   6.639   7.251  -1.472
   68    H    CYS  12           H        CYS  12  -0.104   2.494  -2.258
   69    HA   CYS  12           HA       CYS  12  -1.412   0.080  -2.949
   70    HB2  CYS  12           1HB      CYS  12  -2.231   1.808  -1.417
   71    HB3  CYS  12           2HB      CYS  12  -2.376   2.956  -2.758
   72    H    SER  13           H        SER  13  -2.693  -0.488  -4.687
   73    HA   SER  13           HA       SER  13  -1.937   0.651  -7.319
   74    HB2  SER  13           1HB      SER  13  -2.854  -1.474  -8.238
   75    HB3  SER  13           2HB      SER  13  -1.449  -1.635  -7.179
   76    HG   SER  13           HG       SER  13  -2.893  -3.190  -6.574
   77    H    GLN  14           H        GLN  14  -4.395   1.172  -5.161
   78    HA   GLN  14           HA       GLN  14  -6.251   2.020  -7.376
   79    HB2  GLN  14           1HB      GLN  14  -6.937   1.136  -4.557
   80    HB3  GLN  14           2HB      GLN  14  -8.061   1.917  -5.657
   81    HG2  GLN  14           1HG      GLN  14  -8.572  -0.362  -5.810
   82    HG3  GLN  14           2HG      GLN  14  -7.705   0.023  -7.290
   83   HE21  GLN  14          1HE2      GLN  14  -6.276  -1.621  -7.833
   84   HE22  GLN  14          2HE2      GLN  14  -5.282  -2.460  -6.649
   85    H    CYS  15           H        CYS  15  -4.451   3.138  -4.548
   86    HA   CYS  15           HA       CYS  15  -5.360   5.894  -5.077
   87    HB2  CYS  15           1HB      CYS  15  -6.116   6.332  -2.868
   88    HB3  CYS  15           2HB      CYS  15  -6.975   4.920  -3.455
   89    H    HIS  16           H        HIS  16  -4.266   7.199  -2.966
   90    HA   HIS  16           HA       HIS  16  -1.440   7.190  -3.753
   91    HB2  HIS  16           1HB      HIS  16  -1.387   9.382  -2.684
   92    HB3  HIS  16           2HB      HIS  16  -2.716   9.253  -3.824
   93    HD1  HIS  16           1HD      HIS  16  -5.124   9.766  -2.845
   94    HD2  HIS  16           2HD      HIS  16  -2.093   9.239   0.032
   95    HE1  HIS  16           1HE      HIS  16  -6.163  10.359  -0.595
   96    H    TYR  17           H        TYR  17  -3.014   5.563  -1.303
   97    HA   TYR  17           HA       TYR  17  -1.405   6.064   1.000
   98    HB2  TYR  17           1HB      TYR  17  -3.578   4.967   1.078
   99    HB3  TYR  17           2HB      TYR  17  -2.978   3.635   0.100
  100    HD1  TYR  17           1HD      TYR  17  -2.803   5.231   3.457
  101    HD2  TYR  17           2HD      TYR  17  -1.724   1.816   1.050
  102    HE1  TYR  17           1HE      TYR  17  -2.167   3.980   5.514
  103    HE2  TYR  17           2HE      TYR  17  -1.100   0.566   3.113
  104    HH   TYR  17           HH       TYR  17  -1.376   2.007   6.377
  105    H    SER  18           H        SER  18   0.293   4.874   1.965
  106    HA   SER  18           HA       SER  18   1.564   2.718   0.469
  107    HB2  SER  18           1HB      SER  18   3.817   3.634   0.559
  108    HB3  SER  18           2HB      SER  18   2.748   4.681  -0.380
  109    HG   SER  18           HG       SER  18   3.988   5.945   1.017
  110    H    SER  19           H        SER  19   3.006   1.423   1.650
  111    HA   SER  19           HA       SER  19   3.185   1.766   4.582
  112    HB2  SER  19           1HB      SER  19   1.026   0.561   4.025
  113    HB3  SER  19           2HB      SER  19   2.017  -0.784   3.422
  114    HG   SER  19           HG       SER  19   1.301  -0.736   5.754
  115    H    ILE  20           H        ILE  20   4.287  -0.378   5.459
  116    HA   ILE  20           HA       ILE  20   6.853  -0.635   3.983
  117    HB   ILE  20           HB       ILE  20   7.706  -1.631   6.109
  118   HG12  ILE  20          1HG1      ILE  20   5.179  -0.450   7.369
  119   HG13  ILE  20          2HG1      ILE  20   5.469  -2.176   7.168
  120   HG21  ILE  20          1HG2      ILE  20   8.093   0.592   7.067
  121   HG22  ILE  20          2HG2      ILE  20   8.101   0.694   5.307
  122   HG23  ILE  20          3HG2      ILE  20   6.678   1.241   6.215
  123   HD11  ILE  20          3HD1      ILE  20   6.009  -1.586   9.423
  124   HD12  ILE  20          1HD1      ILE  20   7.523  -1.981   8.585
  125   HD13  ILE  20          2HD1      ILE  20   7.087  -0.282   8.905
  126    H    THR  21           H        THR  21   7.088  -2.171   2.671
  127    HA   THR  21           HA       THR  21   6.932  -4.018   1.458
  128    HB   THR  21           HB       THR  21   7.154  -6.134   2.281
  129    HG1  THR  21           1HG      THR  21   5.920  -5.217   4.639
  130   HG21  THR  21          3HG2      THR  21   9.038  -4.676   2.984
  131   HG22  THR  21          1HG2      THR  21   8.775  -6.066   4.055
  132   HG23  THR  21          2HG2      THR  21   8.247  -4.450   4.564
  133    H    LYS  22           H        LYS  22   5.643  -5.668   0.475
  134    HA   LYS  22           HA       LYS  22   2.886  -5.049   0.161
  135    HB2  LYS  22           1HB      LYS  22   2.740  -7.118  -1.107
  136    HB3  LYS  22           2HB      LYS  22   4.158  -6.170  -1.553
  137    HG2  LYS  22           1HG      LYS  22   5.605  -7.671  -0.198
  138    HG3  LYS  22           2HG      LYS  22   4.179  -8.626   0.266
  139    HD2  LYS  22           1HD      LYS  22   3.768  -9.166  -2.125
  140    HD3  LYS  22           2HD      LYS  22   5.204  -8.222  -2.581
  141    HE2  LYS  22           1HE      LYS  22   6.621  -9.720  -1.188
  142    HE3  LYS  22           2HE      LYS  22   5.191 -10.661  -0.743
  143    HZ1  LYS  22           3HZ      LYS  22   6.238 -10.359  -3.510
  144    HZ2  LYS  22           1HZ      LYS  22   4.914 -11.226  -3.102
  145    HZ3  LYS  22           2HZ      LYS  22   6.388 -11.693  -2.586
  146    H    ASN  23           H        ASN  23   4.430  -7.038   2.577
  147    HA   ASN  23           HA       ASN  23   2.174  -8.639   3.333
  148    HB2  ASN  23           1HB      ASN  23   4.514  -7.807   5.099
  149    HB3  ASN  23           2HB      ASN  23   3.500  -9.232   5.269
  150   HD21  ASN  23          1HD2      ASN  23   6.291  -7.888   3.747
  151   HD22  ASN  23          2HD2      ASN  23   6.735  -9.344   2.848
  152    H    CYS  24           H        CYS  24   3.083  -5.339   4.190
  153    HA   CYS  24           HA       CYS  24   0.837  -5.193   6.145
  154    HB2  CYS  24           1HB      CYS  24   3.208  -4.329   6.656
  155    HB3  CYS  24           2HB      CYS  24   2.823  -2.995   5.553
  156    HG   CYS  24           HG       CYS  24   2.441  -2.181   8.007
  157    H    LEU  25           H        LEU  25   1.957  -3.715   3.046
  158    HA   LEU  25           HA       LEU  25  -0.143  -1.961   2.647
  159    HB2  LEU  25           1HB      LEU  25   1.897  -2.067   1.275
  160    HB3  LEU  25           2HB      LEU  25   1.391  -3.632   0.638
  161    HG   LEU  25           HG       LEU  25  -0.568  -2.571  -0.465
  162   HD11  LEU  25          1HD1      LEU  25   0.685   0.033   0.516
  163   HD12  LEU  25          2HD1      LEU  25  -0.913  -0.614   0.971
  164   HD13  LEU  25          3HD1      LEU  25  -0.615  -0.102  -0.688
  165   HD21  LEU  25          3HD2      LEU  25   2.073  -1.266  -1.169
  166   HD22  LEU  25          1HD2      LEU  25   0.673  -1.525  -2.235
  167   HD23  LEU  25          2HD2      LEU  25   1.586  -2.911  -1.635
  168    H    LYS  26           H        LYS  26  -0.125  -5.478   1.861
  169    HA   LYS  26           HA       LYS  26  -2.579  -5.609   0.471
  170    HB2  LYS  26           1HB      LYS  26  -0.873  -7.412   0.675
  171    HB3  LYS  26           2HB      LYS  26  -1.377  -7.691   2.350
  172    HG2  LYS  26           1HG      LYS  26  -3.643  -8.322   1.549
  173    HG3  LYS  26           2HG      LYS  26  -3.157  -7.970  -0.120
  174    HD2  LYS  26           1HD      LYS  26  -1.433  -9.755   0.014
  175    HD3  LYS  26           2HD      LYS  26  -1.918 -10.095   1.690
  176    HE2  LYS  26           1HE      LYS  26  -4.216 -10.644   0.907
  177    HE3  LYS  26           2HE      LYS  26  -3.730 -10.307  -0.760
  178    HZ1  LYS  26           3HZ      LYS  26  -3.630 -12.684  -0.272
  179    HZ2  LYS  26           1HZ      LYS  26  -2.575 -12.451   0.951
  180    HZ3  LYS  26           2HZ      LYS  26  -2.126 -12.139  -0.590
  181    H    ARG  27           H        ARG  27  -2.093  -5.249   3.934
  182    HA   ARG  27           HA       ARG  27  -4.759  -6.010   4.788
  183    HB2  ARG  27           1HB      ARG  27  -2.834  -4.111   6.193
  184    HB3  ARG  27           2HB      ARG  27  -4.125  -5.059   6.923
  185    HG2  ARG  27           1HG      ARG  27  -2.907  -7.155   6.446
  186    HG3  ARG  27           2HG      ARG  27  -1.639  -6.252   5.607
  187    HD2  ARG  27           1HD      ARG  27  -1.281  -4.955   7.781
  188    HD3  ARG  27           2HD      ARG  27  -2.278  -6.206   8.561
  189    HE   ARG  27           HE       ARG  27  -0.177  -7.362   6.924
  190   HH11  ARG  27          1HH1      ARG  27  -0.499  -5.752  10.021
  191   HH12  ARG  27          2HH1      ARG  27   0.969  -6.460  10.634
  192   HH21  ARG  27          1HH2      ARG  27   1.622  -8.248   7.759
  193   HH22  ARG  27          2HH2      ARG  27   2.143  -7.859   9.377
  194    H    HIS  28           H        HIS  28  -3.384  -2.973   3.613
  195    HA   HIS  28           HA       HIS  28  -5.779  -1.365   4.116
  196    HB2  HIS  28           1HB      HIS  28  -3.761  -0.165   3.929
  197    HB3  HIS  28           2HB      HIS  28  -3.246  -1.027   2.492
  198    HD1  HIS  28           1HD      HIS  28  -5.353   1.960   3.481
  199    HD2  HIS  28           2HD      HIS  28  -4.225  -0.285   0.110
  200    HE1  HIS  28           1HE      HIS  28  -5.993   3.367   1.470
  201    H    VAL  29           H        VAL  29  -4.461  -3.175   1.295
  202    HA   VAL  29           HA       VAL  29  -6.561  -2.509  -0.518
  203    HB   VAL  29           HB       VAL  29  -4.843  -5.021  -0.485
  204   HG11  VAL  29          1HG1      VAL  29  -6.334  -3.671  -2.775
  205   HG12  VAL  29          2HG1      VAL  29  -5.255  -5.072  -2.914
  206   HG13  VAL  29          3HG1      VAL  29  -6.776  -5.226  -2.031
  207   HG21  VAL  29          3HG2      VAL  29  -3.409  -3.799  -2.092
  208   HG22  VAL  29          1HG2      VAL  29  -4.404  -2.342  -1.890
  209   HG23  VAL  29          2HG2      VAL  29  -3.440  -2.971  -0.539
  210    H    ILE  30           H        ILE  30  -6.289  -5.278   1.735
  211    HA   ILE  30           HA       ILE  30  -8.748  -6.564   1.149
  212    HB   ILE  30           HB       ILE  30  -7.069  -6.343   3.671
  213   HG12  ILE  30          1HG1      ILE  30  -7.571  -8.741   1.857
  214   HG13  ILE  30          2HG1      ILE  30  -6.273  -7.606   1.550
  215   HG21  ILE  30          1HG2      ILE  30  -9.346  -6.804   4.474
  216   HG22  ILE  30          2HG2      ILE  30  -9.532  -8.104   3.275
  217   HG23  ILE  30          3HG2      ILE  30  -8.378  -8.254   4.615
  218   HD11  ILE  30          3HD1      ILE  30  -5.389  -9.529   2.716
  219   HD12  ILE  30          1HD1      ILE  30  -5.286  -8.117   3.785
  220   HD13  ILE  30          2HD1      ILE  30  -6.547  -9.348   4.036
  221    H    GLN  31           H        GLN  31  -8.129  -3.865   3.445
  222    HA   GLN  31           HA       GLN  31 -10.907  -3.873   4.347
  223    HB2  GLN  31           1HB      GLN  31  -8.493  -2.138   4.971
  224    HB3  GLN  31           2HB      GLN  31 -10.088  -1.875   5.692
  225    HG2  GLN  31           1HG      GLN  31 -10.103  -4.110   6.675
  226    HG3  GLN  31           2HG      GLN  31  -8.573  -4.516   5.895
  227   HE21  GLN  31          1HE2      GLN  31  -6.633  -3.293   6.543
  228   HE22  GLN  31          2HE2      GLN  31  -6.564  -2.622   8.181
  229    H    LYS  32           H        LYS  32  -9.051  -1.839   2.100
  230    HA   LYS  32           HA       LYS  32 -11.364   0.042   1.841
  231    HB2  LYS  32           1HB      LYS  32  -8.467   0.345   0.961
  232    HB3  LYS  32           2HB      LYS  32  -9.710   1.588   0.903
  233    HG2  LYS  32           1HG      LYS  32  -8.531   0.342   3.425
  234    HG3  LYS  32           2HG      LYS  32  -8.208   1.950   2.779
  235    HD2  LYS  32           1HD      LYS  32 -10.610   2.558   3.116
  236    HD3  LYS  32           2HD      LYS  32 -10.886   0.967   3.862
  237    HE2  LYS  32           1HE      LYS  32  -9.173   1.471   5.582
  238    HE3  LYS  32           2HE      LYS  32  -8.895   3.055   4.848
  239    HZ1  LYS  32           3HZ      LYS  32 -11.210   3.625   5.355
  240    HZ2  LYS  32           1HZ      LYS  32 -10.430   3.207   6.722
  241    HZ3  LYS  32           2HZ      LYS  32 -11.473   2.160   6.032
  242    H    HIS  33           H        HIS  33  -9.692  -2.349  -0.075
  243    HA   HIS  33           HA       HIS  33 -11.173  -1.456  -2.507
  244    HB2  HIS  33           1HB      HIS  33  -8.299  -2.396  -2.460
  245    HB3  HIS  33           2HB      HIS  33  -9.196  -1.777  -3.841
  246    HD1  HIS  33           1HD      HIS  33 -10.280   0.966  -2.766
  247    HD2  HIS  33           2HD      HIS  33  -6.506  -0.661  -1.911
  248    HE1  HIS  33           1HE      HIS  33  -8.817   2.933  -2.110
  249    H    SER  34           H        SER  34 -12.056  -3.482  -0.754
  250    HA   SER  34           HA       SER  34 -11.453  -6.133  -1.630
  251    HB2  SER  34           1HB      SER  34 -12.596  -5.540   0.493
  252    HB3  SER  34           2HB      SER  34 -14.038  -5.073  -0.429
  253    HG   SER  34           HG       SER  34 -14.083  -7.262   0.386
  254    H    ASN  35           H        ASN  35 -12.880  -7.603  -2.776
  255    HA   ASN  35           HA       ASN  35 -13.273  -6.713  -5.456
  256    HB2  ASN  35           1HB      ASN  35 -13.944  -9.333  -4.051
  257    HB3  ASN  35           2HB      ASN  35 -14.044  -9.103  -5.791
  258   HD21  ASN  35          1HD2      ASN  35 -12.474 -11.116  -4.938
  259   HD22  ASN  35          2HD2      ASN  35 -10.787 -10.680  -5.172
  260    H    ILE  36           H        ILE  36 -15.432  -6.156  -3.015
  261    HA   ILE  36           HA       ILE  36 -17.938  -6.588  -4.395
  262    HB   ILE  36           HB       ILE  36 -17.610  -6.537  -1.926
  263   HG12  ILE  36          1HG1      ILE  36 -19.666  -4.501  -2.856
  264   HG13  ILE  36          2HG1      ILE  36 -19.833  -6.251  -3.049
  265   HG21  ILE  36          1HG2      ILE  36 -17.446  -3.502  -2.198
  266   HG22  ILE  36          2HG2      ILE  36 -17.393  -4.453  -0.702
  267   HG23  ILE  36          3HG2      ILE  36 -16.057  -4.549  -1.847
  268   HD11  ILE  36          3HD1      ILE  36 -19.683  -6.515  -0.566
  269   HD12  ILE  36          1HD1      ILE  36 -19.656  -4.740  -0.409
  270   HD13  ILE  36          2HD1      ILE  36 -21.072  -5.547  -1.099
  271    H    LEU  37           H        LEU  37 -15.520  -4.188  -4.686
  272    HA   LEU  37           HA       LEU  37 -17.206  -1.997  -5.556
  273    HB2  LEU  37           1HB      LEU  37 -15.204  -0.771  -5.911
  274    HB3  LEU  37           2HB      LEU  37 -15.066  -1.685  -4.428
  275    HG   LEU  37           HG       LEU  37 -13.718  -3.420  -5.926
  276   HD11  LEU  37          1HD1      LEU  37 -12.388  -2.292  -7.679
  277   HD12  LEU  37          2HD1      LEU  37 -13.367  -0.821  -7.496
  278   HD13  LEU  37          3HD1      LEU  37 -14.093  -2.313  -8.120
  279   HD21  LEU  37          3HD2      LEU  37 -12.591  -0.694  -5.142
  280   HD22  LEU  37          1HD2      LEU  37 -11.657  -2.192  -5.387
  281   HD23  LEU  37          2HD2      LEU  37 -12.817  -2.082  -4.056
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1  15.399   4.653 -10.733
    2    H2   GLY   1           2H       GLY   1  16.910   4.593 -11.362
    3    H3   GLY   1           3H       GLY   1  16.559   3.768  -9.989
    4    HA2  GLY   1           1HA      GLY   1  15.421   3.208 -12.651
    5    HA3  GLY   1           2HA      GLY   1  16.698   2.259 -11.867
    6    H    SER   2           H        SER   2  13.875   1.583 -12.740
    7    HA   SER   2           HA       SER   2  12.108   1.390 -10.573
    8    HB2  SER   2           1HB      SER   2  12.250  -0.426 -13.004
    9    HB3  SER   2           2HB      SER   2  10.828  -0.115 -11.987
   10    HG   SER   2           HG       SER   2  10.829   1.174 -13.893
   11    H    SER   3           H        SER   3  14.854  -0.662 -11.141
   12    HA   SER   3           HA       SER   3  13.924  -2.946  -9.576
   13    HB2  SER   3           1HB      SER   3  16.293  -3.683  -9.849
   14    HB3  SER   3           2HB      SER   3  15.476  -3.310 -11.376
   15    HG   SER   3           HG       SER   3  17.594  -2.391 -11.252
   16    H    GLY   4           H        GLY   4  15.013   0.153  -8.675
   17    HA2  GLY   4           1HA      GLY   4  16.501  -0.545  -6.263
   18    HA3  GLY   4           2HA      GLY   4  15.961   1.049  -6.773
   19    H    SER   5           H        SER   5  15.638   1.218  -4.435
   20    HA   SER   5           HA       SER   5  14.384   1.438  -2.582
   21    HB2  SER   5           1HB      SER   5  12.048   1.321  -4.504
   22    HB3  SER   5           2HB      SER   5  12.048   2.029  -2.879
   23    HG   SER   5           HG       SER   5  12.386   3.601  -4.532
   24    H    SER   6           H        SER   6  15.040  -1.383  -3.159
   25    HA   SER   6           HA       SER   6  12.932  -3.116  -2.361
   26    HB2  SER   6           1HB      SER   6  15.904  -3.401  -1.771
   27    HB3  SER   6           2HB      SER   6  14.699  -4.700  -1.773
   28    HG   SER   6           HG       SER   6  14.402  -4.357  -4.007
   29    H    GLY   7           H        GLY   7  11.916  -3.446  -0.481
   30    HA2  GLY   7           1HA      GLY   7  11.489  -3.592   1.782
   31    HA3  GLY   7           2HA      GLY   7  13.152  -3.127   2.141
   32    H    HIS   8           H        HIS   8  11.667  -0.837   0.074
   33    HA   HIS   8           HA       HIS   8  11.397   1.149   2.235
   34    HB2  HIS   8           1HB      HIS   8  12.581   1.498   0.015
   35    HB3  HIS   8           2HB      HIS   8  10.991   1.453  -0.753
   36    HD1  HIS   8           1HD      HIS   8  12.684   3.544   2.090
   37    HD2  HIS   8           2HD      HIS   8   9.918   3.782  -1.072
   38    HE1  HIS   8           1HE      HIS   8  11.916   5.972   1.998
   39    H    LEU   9           H        LEU   9   9.452   2.791   1.570
   40    HA   LEU   9           HA       LEU   9   6.890   1.568   2.139
   41    HB2  LEU   9           1HB      LEU   9   7.729   4.304   1.073
   42    HB3  LEU   9           2HB      LEU   9   6.063   3.860   1.351
   43    HG   LEU   9           HG       LEU   9   6.885   5.266   3.113
   44   HD11  LEU   9          1HD1      LEU   9   6.157   3.996   5.034
   45   HD12  LEU   9          2HD1      LEU   9   6.453   2.466   4.193
   46   HD13  LEU   9          3HD1      LEU   9   5.166   3.567   3.629
   47   HD21  LEU   9          3HD2      LEU   9   9.282   4.586   3.118
   48   HD22  LEU   9          1HD2      LEU   9   8.823   3.081   3.958
   49   HD23  LEU   9          2HD2      LEU   9   8.548   4.651   4.728
   50    H    TYR  10           H        TYR  10   5.521   0.605   0.760
   51    HA   TYR  10           HA       TYR  10   5.873   0.916  -2.196
   52    HB2  TYR  10           1HB      TYR  10   4.614  -1.347  -0.627
   53    HB3  TYR  10           2HB      TYR  10   4.764  -1.262  -2.375
   54    HD1  TYR  10           2HD      TYR  10   7.796  -0.180  -2.263
   55    HD2  TYR  10           1HD      TYR  10   5.655  -3.491  -0.513
   56    HE1  TYR  10           2HE      TYR  10   9.898  -1.493  -2.168
   57    HE2  TYR  10           1HE      TYR  10   7.772  -4.812  -0.439
   58    HH   TYR  10           HH       TYR  10   9.987  -4.861  -0.940
   59    H    TYR  11           H        TYR  11   4.132   1.440  -3.451
   60    HA   TYR  11           HA       TYR  11   1.930   2.783  -2.012
   61    HB2  TYR  11           1HB      TYR  11   3.086   3.054  -4.788
   62    HB3  TYR  11           2HB      TYR  11   1.535   3.749  -4.358
   63    HD1  TYR  11           2HD      TYR  11   5.175   3.820  -3.454
   64    HD2  TYR  11           1HD      TYR  11   1.335   5.769  -3.137
   65    HE1  TYR  11           2HE      TYR  11   6.269   5.815  -2.450
   66    HE2  TYR  11           1HE      TYR  11   2.435   7.772  -2.150
   67    HH   TYR  11           HH       TYR  11   5.978   7.922  -1.599
   68    H    CYS  12           H        CYS  12  -0.184   2.593  -2.428
   69    HA   CYS  12           HA       CYS  12  -1.342   0.085  -3.015
   70    HB2  CYS  12           1HB      CYS  12  -2.241   1.803  -1.537
   71    HB3  CYS  12           2HB      CYS  12  -2.446   2.912  -2.900
   72    H    SER  13           H        SER  13  -2.756  -0.543  -4.664
   73    HA   SER  13           HA       SER  13  -1.917   0.189  -7.391
   74    HB2  SER  13           1HB      SER  13  -3.301  -1.750  -8.048
   75    HB3  SER  13           2HB      SER  13  -2.065  -2.157  -6.846
   76    HG   SER  13           HG       SER  13  -4.101  -3.069  -6.318
   77    H    GLN  14           H        GLN  14  -4.423   1.147  -5.249
   78    HA   GLN  14           HA       GLN  14  -6.074   2.186  -7.536
   79    HB2  GLN  14           1HB      GLN  14  -7.045   0.944  -4.941
   80    HB3  GLN  14           2HB      GLN  14  -8.068   1.751  -6.140
   81    HG2  GLN  14           1HG      GLN  14  -7.261   0.070  -7.856
   82    HG3  GLN  14           2HG      GLN  14  -6.446  -0.791  -6.548
   83   HE21  GLN  14          1HE2      GLN  14  -7.888  -2.590  -7.390
   84   HE22  GLN  14          2HE2      GLN  14  -9.522  -2.664  -6.743
   85    H    CYS  15           H        CYS  15  -4.390   3.171  -4.695
   86    HA   CYS  15           HA       CYS  15  -5.423   5.883  -5.081
   87    HB2  CYS  15           1HB      CYS  15  -6.108   6.281  -2.830
   88    HB3  CYS  15           2HB      CYS  15  -6.989   4.892  -3.436
   89    H    HIS  16           H        HIS  16  -4.289   7.249  -3.093
   90    HA   HIS  16           HA       HIS  16  -1.456   7.151  -3.848
   91    HB2  HIS  16           1HB      HIS  16  -2.935   9.199  -3.929
   92    HB3  HIS  16           2HB      HIS  16  -2.918   9.210  -2.166
   93    HD1  HIS  16           1HD      HIS  16  -0.951  10.644  -1.176
   94    HD2  HIS  16           2HD      HIS  16  -0.308   9.279  -5.105
   95    HE1  HIS  16           1HE      HIS  16   1.244  11.691  -1.944
   96    H    TYR  17           H        TYR  17  -3.058   5.599  -1.395
   97    HA   TYR  17           HA       TYR  17  -1.466   6.092   0.927
   98    HB2  TYR  17           1HB      TYR  17  -3.627   4.943   0.959
   99    HB3  TYR  17           2HB      TYR  17  -2.972   3.630  -0.012
  100    HD1  TYR  17           1HD      TYR  17  -3.053   5.148   3.358
  101    HD2  TYR  17           2HD      TYR  17  -1.525   1.911   0.945
  102    HE1  TYR  17           1HE      TYR  17  -2.432   3.900   5.420
  103    HE2  TYR  17           2HE      TYR  17  -0.888   0.676   3.011
  104    HH   TYR  17           HH       TYR  17  -1.528   1.987   6.287
  105    H    SER  18           H        SER  18   0.297   4.991   1.830
  106    HA   SER  18           HA       SER  18   1.519   2.775   0.388
  107    HB2  SER  18           1HB      SER  18   3.787   3.685   0.400
  108    HB3  SER  18           2HB      SER  18   2.708   4.678  -0.586
  109    HG   SER  18           HG       SER  18   3.974   6.012   0.722
  110    H    SER  19           H        SER  19   2.814   1.426   1.609
  111    HA   SER  19           HA       SER  19   3.455   2.070   4.398
  112    HB2  SER  19           1HB      SER  19   2.435   0.056   5.336
  113    HB3  SER  19           2HB      SER  19   1.226   1.156   4.666
  114    HG   SER  19           HG       SER  19   0.792  -0.965   4.046
  115    H    ILE  20           H        ILE  20   4.881   0.414   5.402
  116    HA   ILE  20           HA       ILE  20   6.882  -0.399   3.448
  117    HB   ILE  20           HB       ILE  20   7.529   0.671   5.521
  118   HG12  ILE  20          1HG1      ILE  20   8.614  -2.170   5.338
  119   HG13  ILE  20          2HG1      ILE  20   9.038  -0.851   4.242
  120   HG21  ILE  20          1HG2      ILE  20   5.802  -0.352   7.048
  121   HG22  ILE  20          2HG2      ILE  20   6.728  -1.865   7.011
  122   HG23  ILE  20          3HG2      ILE  20   7.439  -0.391   7.693
  123   HD11  ILE  20          3HD1      ILE  20   9.936   0.452   6.176
  124   HD12  ILE  20          1HD1      ILE  20   9.615  -0.949   7.232
  125   HD13  ILE  20          2HD1      ILE  20  10.776  -1.088   5.906
  126    H    THR  21           H        THR  21   7.327  -2.299   2.684
  127    HA   THR  21           HA       THR  21   7.060  -4.292   1.839
  128    HB   THR  21           HB       THR  21   8.106  -5.022   3.884
  129    HG1  THR  21           1HG      THR  21   7.698  -7.142   3.448
  130   HG21  THR  21          3HG2      THR  21   5.288  -5.696   4.824
  131   HG22  THR  21          1HG2      THR  21   6.547  -4.774   5.678
  132   HG23  THR  21          2HG2      THR  21   6.749  -6.505   5.434
  133    H    LYS  22           H        LYS  22   5.798  -5.978   1.029
  134    HA   LYS  22           HA       LYS  22   3.116  -5.115   0.369
  135    HB2  LYS  22           1HB      LYS  22   4.516  -7.765  -0.164
  136    HB3  LYS  22           2HB      LYS  22   2.972  -7.254  -0.866
  137    HG2  LYS  22           1HG      LYS  22   4.117  -5.255  -1.862
  138    HG3  LYS  22           2HG      LYS  22   5.666  -5.900  -1.305
  139    HD2  LYS  22           1HD      LYS  22   3.765  -7.295  -3.236
  140    HD3  LYS  22           2HD      LYS  22   5.210  -6.383  -3.689
  141    HE2  LYS  22           1HE      LYS  22   6.617  -7.957  -2.360
  142    HE3  LYS  22           2HE      LYS  22   5.174  -8.897  -1.959
  143    HZ1  LYS  22           3HZ      LYS  22   6.344  -9.847  -3.861
  144    HZ2  LYS  22           1HZ      LYS  22   6.212  -8.463  -4.710
  145    HZ3  LYS  22           2HZ      LYS  22   4.875  -9.327  -4.342
  146    H    ASN  23           H        ASN  23   4.353  -7.305   2.810
  147    HA   ASN  23           HA       ASN  23   1.898  -8.622   3.465
  148    HB2  ASN  23           1HB      ASN  23   4.199  -9.353   4.139
  149    HB3  ASN  23           2HB      ASN  23   4.290  -7.987   5.255
  150   HD21  ASN  23          2HD2      ASN  23   2.685 -11.100   4.612
  151   HD22  ASN  23          1HD2      ASN  23   2.044 -11.263   6.239
  152    H    CYS  24           H        CYS  24   2.991  -5.349   4.237
  153    HA   CYS  24           HA       CYS  24   0.718  -4.948   6.111
  154    HB2  CYS  24           1HB      CYS  24   3.052  -3.962   6.482
  155    HB3  CYS  24           2HB      CYS  24   2.701  -2.875   5.126
  156    HG   CYS  24           HG       CYS  24   0.365  -2.019   6.164
  157    H    LEU  25           H        LEU  25   1.857  -3.800   2.881
  158    HA   LEU  25           HA       LEU  25  -0.266  -2.131   2.319
  159    HB2  LEU  25           1HB      LEU  25   1.899  -2.302   1.098
  160    HB3  LEU  25           2HB      LEU  25   1.344  -3.819   0.382
  161    HG   LEU  25           HG       LEU  25  -0.506  -2.608  -0.760
  162   HD11  LEU  25          1HD1      LEU  25  -0.389  -0.113  -0.878
  163   HD12  LEU  25          2HD1      LEU  25   0.818  -0.127   0.425
  164   HD13  LEU  25          3HD1      LEU  25  -0.843  -0.689   0.723
  165   HD21  LEU  25          3HD2      LEU  25   1.699  -2.998  -1.836
  166   HD22  LEU  25          1HD2      LEU  25   2.231  -1.396  -1.270
  167   HD23  LEU  25          2HD2      LEU  25   0.885  -1.542  -2.423
  168    H    LYS  26           H        LYS  26  -0.122  -5.654   1.730
  169    HA   LYS  26           HA       LYS  26  -2.562  -5.950   0.315
  170    HB2  LYS  26           1HB      LYS  26  -0.817  -7.684   0.579
  171    HB3  LYS  26           2HB      LYS  26  -1.195  -7.827   2.294
  172    HG2  LYS  26           1HG      LYS  26  -2.125  -9.668   1.001
  173    HG3  LYS  26           2HG      LYS  26  -3.406  -8.741   1.776
  174    HD2  LYS  26           1HD      LYS  26  -4.018  -7.687  -0.339
  175    HD3  LYS  26           2HD      LYS  26  -2.583  -8.370  -1.139
  176    HE2  LYS  26           1HE      LYS  26  -3.437 -10.655  -0.735
  177    HE3  LYS  26           2HE      LYS  26  -4.864  -9.997   0.075
  178    HZ1  LYS  26           3HZ      LYS  26  -5.577  -9.014  -1.991
  179    HZ2  LYS  26           1HZ      LYS  26  -5.237 -10.576  -2.296
  180    HZ3  LYS  26           2HZ      LYS  26  -4.180  -9.424  -2.762
  181    H    ARG  27           H        ARG  27  -2.066  -5.431   3.775
  182    HA   ARG  27           HA       ARG  27  -4.751  -6.164   4.619
  183    HB2  ARG  27           1HB      ARG  27  -2.889  -4.213   6.032
  184    HB3  ARG  27           2HB      ARG  27  -4.184  -5.180   6.734
  185    HG2  ARG  27           1HG      ARG  27  -2.875  -7.258   6.288
  186    HG3  ARG  27           2HG      ARG  27  -1.591  -6.276   5.563
  187    HD2  ARG  27           1HD      ARG  27  -1.444  -5.014   7.772
  188    HD3  ARG  27           2HD      ARG  27  -2.493  -6.275   8.451
  189    HE   ARG  27           HE       ARG  27  -0.118  -7.280   7.031
  190   HH11  ARG  27          2HH1      ARG  27  -1.210  -6.164  10.176
  191   HH12  ARG  27          1HH1      ARG  27   0.098  -6.954  11.011
  192   HH21  ARG  27          2HH2      ARG  27   1.540  -8.264   8.172
  193   HH22  ARG  27          1HH2      ARG  27   1.594  -8.107   9.905
  194    H    HIS  28           H        HIS  28  -3.245  -3.071   3.658
  195    HA   HIS  28           HA       HIS  28  -5.599  -1.434   3.951
  196    HB2  HIS  28           1HB      HIS  28  -3.495  -0.352   3.704
  197    HB3  HIS  28           2HB      HIS  28  -3.103  -1.229   2.233
  198    HD1  HIS  28           1HD      HIS  28  -5.064   1.816   3.375
  199    HD2  HIS  28           2HD      HIS  28  -4.242  -0.431  -0.079
  200    HE1  HIS  28           1HE      HIS  28  -5.887   3.218   1.430
  201    H    VAL  29           H        VAL  29  -4.374  -3.368   1.158
  202    HA   VAL  29           HA       VAL  29  -6.549  -2.660  -0.579
  203    HB   VAL  29           HB       VAL  29  -4.713  -5.071  -0.662
  204   HG11  VAL  29          1HG1      VAL  29  -5.290  -5.125  -3.091
  205   HG12  VAL  29          2HG1      VAL  29  -6.674  -5.508  -2.068
  206   HG13  VAL  29          3HG1      VAL  29  -6.535  -3.890  -2.802
  207   HG21  VAL  29          3HG2      VAL  29  -3.490  -3.766  -2.365
  208   HG22  VAL  29          1HG2      VAL  29  -4.608  -2.403  -2.152
  209   HG23  VAL  29          2HG2      VAL  29  -3.517  -2.884  -0.841
  210    H    ILE  30           H        ILE  30  -6.234  -5.373   1.724
  211    HA   ILE  30           HA       ILE  30  -8.767  -6.592   1.185
  212    HB   ILE  30           HB       ILE  30  -6.968  -6.526   3.616
  213   HG12  ILE  30          1HG1      ILE  30  -7.693  -8.846   1.784
  214   HG13  ILE  30          2HG1      ILE  30  -6.358  -7.771   1.416
  215   HG21  ILE  30          1HG2      ILE  30  -9.227  -6.877   4.514
  216   HG22  ILE  30          2HG2      ILE  30  -9.547  -8.127   3.289
  217   HG23  ILE  30          3HG2      ILE  30  -8.343  -8.387   4.567
  218   HD11  ILE  30          3HD1      ILE  30  -6.582  -9.549   3.880
  219   HD12  ILE  30          1HD1      ILE  30  -5.505  -9.753   2.498
  220   HD13  ILE  30          2HD1      ILE  30  -5.279  -8.373   3.588
  221    H    GLN  31           H        GLN  31  -7.910  -3.963   3.468
  222    HA   GLN  31           HA       GLN  31 -10.611  -3.865   4.544
  223    HB2  GLN  31           1HB      GLN  31  -8.107  -2.205   4.979
  224    HB3  GLN  31           2HB      GLN  31  -9.622  -1.922   5.845
  225    HG2  GLN  31           1HG      GLN  31  -9.583  -4.147   6.822
  226    HG3  GLN  31           2HG      GLN  31  -8.167  -4.603   5.882
  227   HE21  GLN  31          1HE2      GLN  31  -7.604  -5.108   8.329
  228   HE22  GLN  31          2HE2      GLN  31  -6.734  -3.812   9.138
  229    H    LYS  32           H        LYS  32  -8.844  -1.808   2.231
  230    HA   LYS  32           HA       LYS  32 -11.082   0.177   2.251
  231    HB2  LYS  32           1HB      LYS  32  -8.226   0.483   1.261
  232    HB3  LYS  32           2HB      LYS  32  -9.421   1.760   1.431
  233    HG2  LYS  32           1HG      LYS  32  -8.127   0.191   3.703
  234    HG3  LYS  32           2HG      LYS  32  -7.800   1.856   3.233
  235    HD2  LYS  32           1HD      LYS  32 -10.137   2.490   3.817
  236    HD3  LYS  32           2HD      LYS  32 -10.441   0.824   4.359
  237    HE2  LYS  32           1HE      LYS  32  -8.610   1.019   6.017
  238    HE3  LYS  32           2HE      LYS  32  -8.296   2.675   5.483
  239    HZ1  LYS  32           3HZ      LYS  32 -10.545   3.269   6.211
  240    HZ2  LYS  32           1HZ      LYS  32  -9.708   2.637   7.457
  241    HZ3  LYS  32           2HZ      LYS  32 -10.841   1.740   6.702
  242    H    HIS  33           H        HIS  33  -9.954  -2.265   0.168
  243    HA   HIS  33           HA       HIS  33 -11.307  -0.986  -2.173
  244    HB2  HIS  33           1HB      HIS  33  -8.628  -2.423  -2.173
  245    HB3  HIS  33           2HB      HIS  33  -9.493  -1.890  -3.607
  246    HD1  HIS  33           1HD      HIS  33 -10.074   0.978  -3.441
  247    HD2  HIS  33           2HD      HIS  33  -6.833  -0.716  -1.378
  248    HE1  HIS  33           1HE      HIS  33  -8.547   2.917  -2.852
  249    H    SER  34           H        SER  34 -11.592  -2.630  -3.984
  250    HA   SER  34           HA       SER  34 -13.493  -4.500  -3.008
  251    HB2  SER  34           1HB      SER  34 -12.551  -4.100  -5.862
  252    HB3  SER  34           2HB      SER  34 -14.087  -4.816  -5.327
  253    HG   SER  34           HG       SER  34 -14.325  -2.608  -5.908
  254    H    ASN  35           H        ASN  35 -10.939  -5.411  -2.135
  255    HA   ASN  35           HA       ASN  35 -10.052  -7.775  -3.559
  256    HB2  ASN  35           1HB      ASN  35  -8.816  -6.390  -1.825
  257    HB3  ASN  35           2HB      ASN  35  -9.891  -7.055  -0.599
  258   HD21  ASN  35          1HD2      ASN  35  -9.823  -9.572  -0.424
  259   HD22  ASN  35          2HD2      ASN  35  -8.243 -10.281  -0.671
  260    H    ILE  36           H        ILE  36 -12.643  -7.083  -1.296
  261    HA   ILE  36           HA       ILE  36 -13.703  -9.853  -1.532
  262    HB   ILE  36           HB       ILE  36 -14.655  -9.669   0.717
  263   HG12  ILE  36          1HG1      ILE  36 -12.921  -7.175   1.065
  264   HG13  ILE  36          2HG1      ILE  36 -14.682  -7.192   0.942
  265   HG21  ILE  36          1HG2      ILE  36 -12.460 -10.813   0.225
  266   HG22  ILE  36          2HG2      ILE  36 -11.630  -9.352   0.817
  267   HG23  ILE  36          3HG2      ILE  36 -12.664 -10.304   1.901
  268   HD11  ILE  36          3HD1      ILE  36 -13.029  -8.403   3.190
  269   HD12  ILE  36          1HD1      ILE  36 -14.083  -6.983   3.258
  270   HD13  ILE  36          2HD1      ILE  36 -14.794  -8.591   3.015
  271    H    LEU  37           H        LEU  37 -15.977 -10.030  -1.503
  272    HA   LEU  37           HA       LEU  37 -17.575  -7.602  -2.156
  273    HB2  LEU  37           1HB      LEU  37 -17.374 -10.151  -3.818
  274    HB3  LEU  37           2HB      LEU  37 -18.588  -8.907  -4.056
  275    HG   LEU  37           HG       LEU  37 -15.587  -8.474  -4.405
  276   HD11  LEU  37          1HD1      LEU  37 -16.106  -8.452  -6.804
  277   HD12  LEU  37          2HD1      LEU  37 -17.809  -8.831  -6.457
  278   HD13  LEU  37          3HD1      LEU  37 -16.532 -10.010  -6.080
  279   HD21  LEU  37          3HD2      LEU  37 -16.286  -6.384  -5.544
  280   HD22  LEU  37          1HD2      LEU  37 -16.768  -6.375  -3.845
  281   HD23  LEU  37          2HD2      LEU  37 -17.979  -6.705  -5.102
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1  18.716  -3.667  -3.375
    2    H2   GLY   1           2H       GLY   1  18.876  -4.664  -2.085
    3    H3   GLY   1           3H       GLY   1  19.220  -3.069  -1.937
    4    HA2  GLY   1           1HA      GLY   1  16.552  -4.210  -2.466
    5    HA3  GLY   1           2HA      GLY   1  17.096  -3.543  -0.915
    6    H    SER   2           H        SER   2  15.434  -2.014  -0.920
    7    HA   SER   2           HA       SER   2  15.686   0.276  -2.845
    8    HB2  SER   2           1HB      SER   2  13.161  -0.872  -1.603
    9    HB3  SER   2           2HB      SER   2  13.254   0.591  -2.600
   10    HG   SER   2           HG       SER   2  12.666  -1.254  -3.836
   11    H    SER   3           H        SER   3  15.218   2.364  -2.064
   12    HA   SER   3           HA       SER   3  16.295   2.939   0.491
   13    HB2  SER   3           1HB      SER   3  14.681   4.755  -1.335
   14    HB3  SER   3           2HB      SER   3  15.748   5.270  -0.013
   15    HG   SER   3           HG       SER   3  16.803   5.354  -2.056
   16    H    GLY   4           H        GLY   4  15.474   3.746   2.379
   17    HA2  GLY   4           1HA      GLY   4  12.932   4.682   3.008
   18    HA3  GLY   4           2HA      GLY   4  12.848   2.939   3.260
   19    H    SER   5           H        SER   5  12.421   4.549   5.409
   20    HA   SER   5           HA       SER   5  14.854   5.179   6.871
   21    HB2  SER   5           1HB      SER   5  13.251   5.854   8.655
   22    HB3  SER   5           2HB      SER   5  12.969   6.626   7.084
   23    HG   SER   5           HG       SER   5  11.021   5.847   8.042
   24    H    SER   6           H        SER   6  12.462   2.562   7.082
   25    HA   SER   6           HA       SER   6  14.261   1.077   8.964
   26    HB2  SER   6           1HB      SER   6  12.266   0.282  10.141
   27    HB3  SER   6           2HB      SER   6  12.386   2.049  10.187
   28    HG   SER   6           HG       SER   6  10.265   1.361   9.672
   29    H    GLY   7           H        GLY   7  12.791   0.943   5.943
   30    HA2  GLY   7           1HA      GLY   7  13.670  -1.567   5.155
   31    HA3  GLY   7           2HA      GLY   7  12.033  -1.833   5.762
   32    H    HIS   8           H        HIS   8  11.789  -2.476   3.389
   33    HA   HIS   8           HA       HIS   8  11.848  -0.423   1.348
   34    HB2  HIS   8           1HB      HIS   8  10.570  -3.172   1.409
   35    HB3  HIS   8           2HB      HIS   8  10.690  -2.155  -0.023
   36    HD1  HIS   8           1HD      HIS   8  11.928  -4.825  -0.414
   37    HD2  HIS   8           2HD      HIS   8  13.995  -1.639   1.396
   38    HE1  HIS   8           1HE      HIS   8  14.414  -5.346  -0.673
   39    H    LEU   9           H        LEU   9  10.283   0.820   0.493
   40    HA   LEU   9           HA       LEU   9   7.581   0.858   1.740
   41    HB2  LEU   9           1HB      LEU   9   9.162   2.895   0.140
   42    HB3  LEU   9           2HB      LEU   9   7.428   3.020   0.322
   43    HG   LEU   9           HG       LEU   9   8.547   4.487   1.849
   44   HD11  LEU   9          1HD1      LEU   9   7.254   2.242   3.436
   45   HD12  LEU   9          2HD1      LEU   9   6.370   3.476   2.511
   46   HD13  LEU   9          3HD1      LEU   9   7.380   3.950   3.889
   47   HD21  LEU   9          3HD2      LEU   9   9.706   2.079   3.292
   48   HD22  LEU   9          1HD2      LEU   9   9.883   3.790   3.720
   49   HD23  LEU   9          2HD2      LEU   9  10.624   3.171   2.232
   50    H    TYR  10           H        TYR  10   5.757   0.631   0.615
   51    HA   TYR  10           HA       TYR  10   5.800  -0.048  -2.285
   52    HB2  TYR  10           1HB      TYR  10   4.357  -1.608  -0.103
   53    HB3  TYR  10           2HB      TYR  10   4.232  -1.889  -1.836
   54    HD1  TYR  10           1HD      TYR  10   6.452  -2.198   1.112
   55    HD2  TYR  10           2HD      TYR  10   5.974  -3.021  -3.094
   56    HE1  TYR  10           1HE      TYR  10   8.415  -3.740   1.180
   57    HE2  TYR  10           2HE      TYR  10   7.933  -4.556  -3.019
   58    HH   TYR  10           HH       TYR  10   9.569  -5.489  -1.721
   59    H    TYR  11           H        TYR  11   3.733   0.281  -3.347
   60    HA   TYR  11           HA       TYR  11   2.054   2.361  -1.997
   61    HB2  TYR  11           1HB      TYR  11   3.070   2.471  -4.845
   62    HB3  TYR  11           2HB      TYR  11   2.221   3.727  -3.954
   63    HD1  TYR  11           2HD      TYR  11   3.382   4.728  -1.875
   64    HD2  TYR  11           1HD      TYR  11   5.455   2.332  -4.798
   65    HE1  TYR  11           2HE      TYR  11   5.570   5.582  -1.027
   66    HE2  TYR  11           1HE      TYR  11   7.636   3.179  -3.952
   67    HH   TYR  11           HH       TYR  11   8.695   4.551  -2.453
   68    H    CYS  12           H        CYS  12  -0.069   2.530  -2.522
   69    HA   CYS  12           HA       CYS  12  -1.424   0.191  -3.488
   70    HB2  CYS  12           1HB      CYS  12  -2.172   1.740  -1.703
   71    HB3  CYS  12           2HB      CYS  12  -2.459   2.987  -2.926
   72    H    SER  13           H        SER  13  -2.793  -0.055  -5.208
   73    HA   SER  13           HA       SER  13  -2.110   1.431  -7.713
   74    HB2  SER  13           1HB      SER  13  -3.406  -1.283  -7.306
   75    HB3  SER  13           2HB      SER  13  -3.117  -0.509  -8.876
   76    HG   SER  13           HG       SER  13  -1.437  -1.968  -8.311
   77    H    GLN  14           H        GLN  14  -4.590   1.232  -5.375
   78    HA   GLN  14           HA       GLN  14  -6.698   2.189  -7.288
   79    HB2  GLN  14           1HB      GLN  14  -6.844   0.711  -4.644
   80    HB3  GLN  14           2HB      GLN  14  -8.224   1.549  -5.338
   81    HG2  GLN  14           1HG      GLN  14  -8.438  -0.733  -5.934
   82    HG3  GLN  14           2HG      GLN  14  -8.045   0.165  -7.399
   83   HE21  GLN  14          1HE2      GLN  14  -6.375  -1.709  -4.760
   84   HE22  GLN  14          2HE2      GLN  14  -5.256  -2.483  -5.869
   85    H    CYS  15           H        CYS  15  -4.702   3.241  -4.651
   86    HA   CYS  15           HA       CYS  15  -5.863   5.913  -4.825
   87    HB2  CYS  15           1HB      CYS  15  -6.295   6.205  -2.482
   88    HB3  CYS  15           2HB      CYS  15  -7.218   4.831  -3.060
   89    H    HIS  16           H        HIS  16  -4.525   7.189  -2.856
   90    HA   HIS  16           HA       HIS  16  -1.763   7.132  -3.879
   91    HB2  HIS  16           1HB      HIS  16  -3.194   9.165  -2.139
   92    HB3  HIS  16           2HB      HIS  16  -1.595   9.359  -2.854
   93    HD1  HIS  16           1HD      HIS  16  -1.604   9.340  -5.694
   94    HD2  HIS  16           2HD      HIS  16  -5.213   9.974  -3.621
   95    HE1  HIS  16           1HE      HIS  16  -3.227  10.355  -7.379
   96    H    TYR  17           H        TYR  17  -3.027   5.354  -1.511
   97    HA   TYR  17           HA       TYR  17  -1.537   5.970   0.824
   98    HB2  TYR  17           1HB      TYR  17  -3.531   4.631   0.882
   99    HB3  TYR  17           2HB      TYR  17  -2.812   3.419  -0.170
  100    HD1  TYR  17           1HD      TYR  17  -2.502   4.967   3.233
  101    HD2  TYR  17           2HD      TYR  17  -1.638   1.574   0.710
  102    HE1  TYR  17           1HE      TYR  17  -1.702   3.690   5.217
  103    HE2  TYR  17           2HE      TYR  17  -0.897   0.284   2.707
  104    HH   TYR  17           HH       TYR  17  -0.846   1.705   5.989
  105    H    SER  18           H        SER  18   0.236   5.146   1.778
  106    HA   SER  18           HA       SER  18   2.235   3.583   0.195
  107    HB2  SER  18           1HB      SER  18   2.842   5.858   2.118
  108    HB3  SER  18           2HB      SER  18   4.004   4.936   1.150
  109    HG   SER  18           HG       SER  18   3.421   7.033   0.277
  110    H    SER  19           H        SER  19   3.294   1.980   1.327
  111    HA   SER  19           HA       SER  19   2.810   1.700   4.264
  112    HB2  SER  19           1HB      SER  19   1.270   0.338   2.502
  113    HB3  SER  19           2HB      SER  19   2.656  -0.753   2.555
  114    HG   SER  19           HG       SER  19   0.971   0.118   4.673
  115    H    ILE  20           H        ILE  20   4.336   0.516   5.406
  116    HA   ILE  20           HA       ILE  20   6.911  -0.026   4.023
  117    HB   ILE  20           HB       ILE  20   6.829   1.541   5.927
  118   HG12  ILE  20          1HG1      ILE  20   8.919   0.598   5.201
  119   HG13  ILE  20          2HG1      ILE  20   8.876   0.940   6.919
  120   HG21  ILE  20          1HG2      ILE  20   5.232   0.452   7.409
  121   HG22  ILE  20          2HG2      ILE  20   6.368  -0.875   7.707
  122   HG23  ILE  20          3HG2      ILE  20   6.767   0.770   8.226
  123   HD11  ILE  20          3HD1      ILE  20   8.497  -1.564   7.314
  124   HD12  ILE  20          1HD1      ILE  20   8.878  -1.779   5.587
  125   HD13  ILE  20          2HD1      ILE  20  10.070  -1.078   6.681
  126    H    THR  21           H        THR  21   7.488  -1.990   3.563
  127    HA   THR  21           HA       THR  21   7.398  -4.174   3.112
  128    HB   THR  21           HB       THR  21   6.056  -4.756   5.752
  129    HG1  THR  21           1HG      THR  21   8.157  -4.959   6.514
  130   HG21  THR  21          3HG2      THR  21   6.202  -6.695   4.184
  131   HG22  THR  21          1HG2      THR  21   7.301  -6.887   5.547
  132   HG23  THR  21          2HG2      THR  21   7.938  -6.383   3.966
  133    H    LYS  22           H        LYS  22   6.203  -5.516   1.854
  134    HA   LYS  22           HA       LYS  22   3.776  -4.377   0.905
  135    HB2  LYS  22           1HB      LYS  22   5.573  -5.521  -0.412
  136    HB3  LYS  22           2HB      LYS  22   4.956  -7.079   0.159
  137    HG2  LYS  22           1HG      LYS  22   2.794  -6.634  -0.951
  138    HG3  LYS  22           2HG      LYS  22   3.340  -5.005  -1.398
  139    HD2  LYS  22           1HD      LYS  22   5.148  -5.995  -2.782
  140    HD3  LYS  22           2HD      LYS  22   4.596  -7.625  -2.333
  141    HE2  LYS  22           1HE      LYS  22   2.375  -7.144  -3.347
  142    HE3  LYS  22           2HE      LYS  22   2.928  -5.524  -3.797
  143    HZ1  LYS  22           3HZ      LYS  22   4.108  -8.064  -4.798
  144    HZ2  LYS  22           1HZ      LYS  22   4.620  -6.568  -5.213
  145    HZ3  LYS  22           2HZ      LYS  22   3.135  -7.075  -5.655
  146    H    ASN  23           H        ASN  23   4.149  -6.909   3.283
  147    HA   ASN  23           HA       ASN  23   1.539  -8.083   3.009
  148    HB2  ASN  23           1HB      ASN  23   1.881  -8.961   5.236
  149    HB3  ASN  23           2HB      ASN  23   3.327  -9.181   4.263
  150   HD21  ASN  23          1HD2      ASN  23   3.392  -9.409   7.053
  151   HD22  ASN  23          2HD2      ASN  23   4.328  -8.057   7.675
  152    H    CYS  24           H        CYS  24   2.628  -5.202   4.863
  153    HA   CYS  24           HA       CYS  24   0.057  -4.586   5.980
  154    HB2  CYS  24           1HB      CYS  24   2.481  -2.858   5.327
  155    HB3  CYS  24           2HB      CYS  24   1.079  -2.308   6.262
  156    HG   CYS  24           HG       CYS  24   3.182  -2.894   7.807
  157    H    LEU  25           H        LEU  25   1.555  -3.652   2.842
  158    HA   LEU  25           HA       LEU  25  -0.587  -2.070   1.968
  159    HB2  LEU  25           1HB      LEU  25   1.627  -2.021   0.919
  160    HB3  LEU  25           2HB      LEU  25   1.420  -3.681   0.360
  161    HG   LEU  25           HG       LEU  25  -0.479  -2.981  -1.078
  162   HD11  LEU  25          1HD1      LEU  25  -1.291  -0.999   0.150
  163   HD12  LEU  25          2HD1      LEU  25  -0.846  -0.569  -1.493
  164   HD13  LEU  25          3HD1      LEU  25   0.251  -0.159  -0.158
  165   HD21  LEU  25          3HD2      LEU  25   1.873  -3.033  -1.899
  166   HD22  LEU  25          1HD2      LEU  25   2.001  -1.299  -1.510
  167   HD23  LEU  25          2HD2      LEU  25   0.850  -1.859  -2.743
  168    H    LYS  26           H        LYS  26  -0.030  -5.610   1.558
  169    HA   LYS  26           HA       LYS  26  -2.432  -6.145   0.077
  170    HB2  LYS  26           1HB      LYS  26  -0.839  -7.877   2.015
  171    HB3  LYS  26           2HB      LYS  26  -2.210  -8.481   1.106
  172    HG2  LYS  26           1HG      LYS  26   0.347  -7.345  -0.110
  173    HG3  LYS  26           2HG      LYS  26  -0.034  -9.050   0.071
  174    HD2  LYS  26           1HD      LYS  26  -1.496  -7.058  -1.718
  175    HD3  LYS  26           2HD      LYS  26  -0.366  -8.314  -2.221
  176    HE2  LYS  26           1HE      LYS  26  -1.912 -10.055  -1.288
  177    HE3  LYS  26           2HE      LYS  26  -3.076  -8.783  -0.897
  178    HZ1  LYS  26           3HZ      LYS  26  -3.183  -8.249  -3.280
  179    HZ2  LYS  26           1HZ      LYS  26  -3.583  -9.811  -3.034
  180    HZ3  LYS  26           2HZ      LYS  26  -2.116  -9.435  -3.633
  181    H    ARG  27           H        ARG  27  -1.964  -6.001   3.632
  182    HA   ARG  27           HA       ARG  27  -4.743  -6.506   4.247
  183    HB2  ARG  27           1HB      ARG  27  -2.589  -5.016   5.809
  184    HB3  ARG  27           2HB      ARG  27  -4.188  -5.379   6.449
  185    HG2  ARG  27           1HG      ARG  27  -2.178  -7.486   5.537
  186    HG3  ARG  27           2HG      ARG  27  -2.444  -6.969   7.204
  187    HD2  ARG  27           1HD      ARG  27  -4.806  -7.733   7.056
  188    HD3  ARG  27           2HD      ARG  27  -4.503  -8.307   5.401
  189    HE   ARG  27           HE       ARG  27  -2.559  -9.453   7.139
  190   HH11  ARG  27          2HH1      ARG  27  -5.989  -9.784   6.503
  191   HH12  ARG  27          1HH1      ARG  27  -6.015 -11.449   7.018
  192   HH21  ARG  27          2HH2      ARG  27  -2.667 -11.576   7.788
  193   HH22  ARG  27          1HH2      ARG  27  -4.182 -12.427   7.728
  194    H    HIS  28           H        HIS  28  -3.093  -3.381   3.570
  195    HA   HIS  28           HA       HIS  28  -5.421  -1.751   3.881
  196    HB2  HIS  28           1HB      HIS  28  -3.338  -0.657   3.629
  197    HB3  HIS  28           2HB      HIS  28  -2.955  -1.493   2.137
  198    HD1  HIS  28           1HD      HIS  28  -4.923   1.511   3.370
  199    HD2  HIS  28           2HD      HIS  28  -4.108  -0.624  -0.155
  200    HE1  HIS  28           1HE      HIS  28  -5.772   2.964   1.475
  201    H    VAL  29           H        VAL  29  -4.278  -3.504   0.921
  202    HA   VAL  29           HA       VAL  29  -6.497  -2.664  -0.687
  203    HB   VAL  29           HB       VAL  29  -4.672  -5.079  -0.973
  204   HG11  VAL  29          1HG1      VAL  29  -6.641  -3.864  -2.964
  205   HG12  VAL  29          2HG1      VAL  29  -5.385  -5.055  -3.372
  206   HG13  VAL  29          3HG1      VAL  29  -6.699  -5.508  -2.286
  207   HG21  VAL  29          3HG2      VAL  29  -3.559  -3.695  -2.687
  208   HG22  VAL  29          1HG2      VAL  29  -4.695  -2.364  -2.386
  209   HG23  VAL  29          2HG2      VAL  29  -3.535  -2.850  -1.142
  210    H    ILE  30           H        ILE  30  -6.140  -5.540   1.395
  211    HA   ILE  30           HA       ILE  30  -8.675  -6.730   0.770
  212    HB   ILE  30           HB       ILE  30  -6.823  -6.892   3.167
  213   HG12  ILE  30          1HG1      ILE  30  -7.475  -9.009   1.073
  214   HG13  ILE  30          2HG1      ILE  30  -6.191  -7.843   0.833
  215   HG21  ILE  30          1HG2      ILE  30  -9.049  -7.438   4.041
  216   HG22  ILE  30          2HG2      ILE  30  -9.339  -8.546   2.680
  217   HG23  ILE  30          3HG2      ILE  30  -8.105  -8.908   3.903
  218   HD11  ILE  30          3HD1      ILE  30  -6.307  -9.928   3.046
  219   HD12  ILE  30          1HD1      ILE  30  -5.213  -9.873   1.657
  220   HD13  ILE  30          2HD1      ILE  30  -5.077  -8.646   2.930
  221    H    GLN  31           H        GLN  31  -7.790  -4.306   3.266
  222    HA   GLN  31           HA       GLN  31 -10.491  -4.378   4.405
  223    HB2  GLN  31           1HB      GLN  31  -7.968  -2.839   5.098
  224    HB3  GLN  31           2HB      GLN  31  -9.476  -2.723   6.011
  225    HG2  GLN  31           1HG      GLN  31  -9.420  -5.096   6.564
  226    HG3  GLN  31           2HG      GLN  31  -7.986  -5.350   5.579
  227   HE21  GLN  31          1HE2      GLN  31  -7.585  -6.256   8.001
  228   HE22  GLN  31          2HE2      GLN  31  -6.679  -5.121   8.993
  229    H    LYS  32           H        LYS  32  -8.696  -2.070   2.378
  230    HA   LYS  32           HA       LYS  32 -10.814  -0.006   2.795
  231    HB2  LYS  32           1HB      LYS  32  -8.018   0.309   1.650
  232    HB3  LYS  32           2HB      LYS  32  -9.130   1.596   2.090
  233    HG2  LYS  32           1HG      LYS  32  -7.777  -0.346   4.015
  234    HG3  LYS  32           2HG      LYS  32  -7.387   1.355   3.765
  235    HD2  LYS  32           1HD      LYS  32  -9.632   2.008   4.605
  236    HD3  LYS  32           2HD      LYS  32 -10.009   0.297   4.912
  237    HE2  LYS  32           1HE      LYS  32  -8.071   0.137   6.448
  238    HE3  LYS  32           2HE      LYS  32  -7.689   1.838   6.151
  239    HZ1  LYS  32           3HZ      LYS  32  -8.980   1.565   8.189
  240    HZ2  LYS  32           1HZ      LYS  32 -10.209   0.855   7.387
  241    HZ3  LYS  32           2HZ      LYS  32  -9.851   2.426   7.113
  242    H    HIS  33           H        HIS  33  -9.965  -2.192   0.323
  243    HA   HIS  33           HA       HIS  33 -11.560  -0.585  -1.627
  244    HB2  HIS  33           1HB      HIS  33  -9.097  -2.241  -2.260
  245    HB3  HIS  33           2HB      HIS  33 -10.131  -1.434  -3.438
  246    HD1  HIS  33           1HD      HIS  33 -10.352   1.450  -2.609
  247    HD2  HIS  33           2HD      HIS  33  -6.939  -0.867  -1.835
  248    HE1  HIS  33           1HE      HIS  33  -8.473   3.102  -2.229
  249    H    SER  34           H        SER  34 -12.847  -1.699  -3.078
  250    HA   SER  34           HA       SER  34 -13.181  -4.610  -2.951
  251    HB2  SER  34           1HB      SER  34 -14.428  -3.865  -0.939
  252    HB3  SER  34           2HB      SER  34 -15.418  -2.796  -1.948
  253    HG   SER  34           HG       SER  34 -16.414  -4.844  -1.528
  254    H    ASN  35           H        ASN  35 -14.740  -1.529  -3.963
  255    HA   ASN  35           HA       ASN  35 -14.821  -2.498  -6.763
  256    HB2  ASN  35           1HB      ASN  35 -17.077  -2.827  -5.650
  257    HB3  ASN  35           2HB      ASN  35 -17.137  -1.088  -5.363
  258   HD21  ASN  35          1HD2      ASN  35 -19.174  -1.254  -6.645
  259   HD22  ASN  35          2HD2      ASN  35 -19.040  -1.255  -8.399
  260    H    ILE  36           H        ILE  36 -14.634  -0.838  -8.310
  261    HA   ILE  36           HA       ILE  36 -13.700   1.836  -7.352
  262    HB   ILE  36           HB       ILE  36 -12.263   0.025  -9.324
  263   HG12  ILE  36          1HG1      ILE  36 -11.890  -0.761  -7.015
  264   HG13  ILE  36          2HG1      ILE  36 -10.440  -0.162  -7.777
  265   HG21  ILE  36          1HG2      ILE  36 -10.459   1.772  -9.243
  266   HG22  ILE  36          2HG2      ILE  36 -11.945   2.309 -10.020
  267   HG23  ILE  36          3HG2      ILE  36 -11.579   2.835  -8.363
  268   HD11  ILE  36          3HD1      ILE  36 -10.632   0.492  -5.386
  269   HD12  ILE  36          1HD1      ILE  36 -10.499   1.895  -6.456
  270   HD13  ILE  36          2HD1      ILE  36 -12.072   1.450  -5.762
  271    H    LEU  37           H        LEU  37 -14.137   3.527  -8.688
  272    HA   LEU  37           HA       LEU  37 -16.341   3.247 -10.502
  273    HB2  LEU  37           1HB      LEU  37 -16.449   5.571 -10.537
  274    HB3  LEU  37           2HB      LEU  37 -16.001   5.146  -8.897
  275    HG   LEU  37           HG       LEU  37 -14.132   6.265 -11.047
  276   HD11  LEU  37          1HD1      LEU  37 -14.201   8.309  -9.690
  277   HD12  LEU  37          2HD1      LEU  37 -15.338   7.541  -8.558
  278   HD13  LEU  37          3HD1      LEU  37 -15.822   7.864 -10.238
  279   HD21  LEU  37          3HD2      LEU  37 -13.626   5.701  -8.087
  280   HD22  LEU  37          1HD2      LEU  37 -12.562   6.659  -9.140
  281   HD23  LEU  37          2HD2      LEU  37 -12.801   4.948  -9.480
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1  19.326  18.273   2.471
    2    H2   GLY   1           2H       GLY   1  19.149  17.140   3.643
    3    H3   GLY   1           3H       GLY   1  18.180  18.460   3.627
    4    HA2  GLY   1           1HA      GLY   1  17.169  17.777   1.548
    5    HA3  GLY   1           2HA      GLY   1  18.206  16.338   1.582
    6    H    SER   2           H        SER   2  16.403  14.935   1.599
    7    HA   SER   2           HA       SER   2  14.245  15.054   3.452
    8    HB2  SER   2           1HB      SER   2  15.355  12.645   1.967
    9    HB3  SER   2           2HB      SER   2  13.748  12.777   2.707
   10    HG   SER   2           HG       SER   2  13.709  13.233   0.451
   11    H    SER   3           H        SER   3  13.706  13.725   5.229
   12    HA   SER   3           HA       SER   3  15.786  12.137   6.590
   13    HB2  SER   3           1HB      SER   3  16.080  14.552   7.301
   14    HB3  SER   3           2HB      SER   3  14.456  14.476   8.010
   15    HG   SER   3           HG       SER   3  16.154  13.997   9.519
   16    H    GLY   4           H        GLY   4  14.919  11.046   8.529
   17    HA2  GLY   4           1HA      GLY   4  13.342   9.813   9.693
   18    HA3  GLY   4           2HA      GLY   4  12.057  10.742   8.936
   19    H    SER   5           H        SER   5  11.268   8.417   9.232
   20    HA   SER   5           HA       SER   5  10.520   6.449   8.473
   21    HB2  SER   5           1HB      SER   5   9.929   7.899   6.484
   22    HB3  SER   5           2HB      SER   5  11.327   7.181   5.657
   23    HG   SER   5           HG       SER   5   9.326   6.056   5.292
   24    H    SER   6           H        SER   6  11.062   4.376   7.233
   25    HA   SER   6           HA       SER   6  13.880   3.691   6.949
   26    HB2  SER   6           1HB      SER   6  13.546   3.664   9.449
   27    HB3  SER   6           2HB      SER   6  12.335   2.387   9.228
   28    HG   SER   6           HG       SER   6  14.469   1.584   9.680
   29    H    GLY   7           H        GLY   7  14.201   1.633   6.030
   30    HA2  GLY   7           1HA      GLY   7  13.736  -0.241   4.769
   31    HA3  GLY   7           2HA      GLY   7  12.162  -0.321   5.544
   32    H    HIS   8           H        HIS   8  11.737  -1.177   3.275
   33    HA   HIS   8           HA       HIS   8  11.407   0.903   1.195
   34    HB2  HIS   8           1HB      HIS   8  12.447  -1.265   0.633
   35    HB3  HIS   8           2HB      HIS   8  10.943  -2.090   1.050
   36    HD1  HIS   8           1HD      HIS   8   8.839  -1.651  -0.688
   37    HD2  HIS   8           2HD      HIS   8  12.569   0.014  -1.710
   38    HE1  HIS   8           1HE      HIS   8   8.644  -0.910  -3.112
   39    H    LEU   9           H        LEU   9   9.582   1.983   0.936
   40    HA   LEU   9           HA       LEU   9   7.030   0.960   2.042
   41    HB2  LEU   9           1HB      LEU   9   8.004   3.670   1.166
   42    HB3  LEU   9           2HB      LEU   9   6.286   3.301   1.084
   43    HG   LEU   9           HG       LEU   9   6.194   2.767   3.460
   44   HD11  LEU   9          1HD1      LEU   9   9.136   3.552   3.546
   45   HD12  LEU   9          2HD1      LEU   9   8.446   1.965   3.949
   46   HD13  LEU   9          3HD1      LEU   9   8.089   3.356   4.968
   47   HD21  LEU   9          3HD2      LEU   9   7.517   5.449   2.901
   48   HD22  LEU   9          1HD2      LEU   9   6.508   5.046   4.309
   49   HD23  LEU   9          2HD2      LEU   9   5.793   5.069   2.690
   50    H    TYR  10           H        TYR  10   5.497   0.116   0.879
   51    HA   TYR  10           HA       TYR  10   5.740  -0.045  -2.093
   52    HB2  TYR  10           1HB      TYR  10   4.290  -1.810  -0.088
   53    HB3  TYR  10           2HB      TYR  10   4.208  -1.989  -1.833
   54    HD1  TYR  10           1HD      TYR  10   6.570  -2.117   1.068
   55    HD2  TYR  10           2HD      TYR  10   5.886  -3.156  -3.060
   56    HE1  TYR  10           1HE      TYR  10   8.590  -3.590   1.098
   57    HE2  TYR  10           2HE      TYR  10   7.897  -4.616  -3.028
   58    HH   TYR  10           HH       TYR  10   9.645  -5.438  -1.778
   59    H    TYR  11           H        TYR  11   4.043   0.601  -3.389
   60    HA   TYR  11           HA       TYR  11   2.102   2.460  -2.097
   61    HB2  TYR  11           1HB      TYR  11   3.513   2.501  -4.778
   62    HB3  TYR  11           2HB      TYR  11   2.152   3.537  -4.394
   63    HD1  TYR  11           2HD      TYR  11   5.598   2.644  -3.115
   64    HD2  TYR  11           1HD      TYR  11   2.492   5.633  -3.413
   65    HE1  TYR  11           2HE      TYR  11   7.089   4.305  -2.029
   66    HE2  TYR  11           1HE      TYR  11   4.002   7.298  -2.350
   67    HH   TYR  11           HH       TYR  11   6.065   7.689  -1.429
   68    H    CYS  12           H        CYS  12  -0.008   2.532  -2.624
   69    HA   CYS  12           HA       CYS  12  -1.287   0.126  -3.428
   70    HB2  CYS  12           1HB      CYS  12  -2.075   1.752  -1.752
   71    HB3  CYS  12           2HB      CYS  12  -2.365   2.937  -3.030
   72    H    SER  13           H        SER  13  -2.699  -0.308  -5.061
   73    HA   SER  13           HA       SER  13  -1.991   0.750  -7.737
   74    HB2  SER  13           1HB      SER  13  -3.748  -1.596  -6.931
   75    HB3  SER  13           2HB      SER  13  -3.263  -1.172  -8.583
   76    HG   SER  13           HG       SER  13  -1.915  -2.796  -7.685
   77    H    GLN  14           H        GLN  14  -4.454   1.307  -5.406
   78    HA   GLN  14           HA       GLN  14  -6.318   2.371  -7.512
   79    HB2  GLN  14           1HB      GLN  14  -7.061   0.990  -4.911
   80    HB3  GLN  14           2HB      GLN  14  -8.178   1.723  -6.068
   81    HG2  GLN  14           1HG      GLN  14  -7.301   0.117  -7.826
   82    HG3  GLN  14           2HG      GLN  14  -6.381  -0.687  -6.551
   83   HE21  GLN  14          1HE2      GLN  14  -7.690  -2.619  -7.275
   84   HE22  GLN  14          2HE2      GLN  14  -9.299  -2.796  -6.588
   85    H    CYS  15           H        CYS  15  -4.507   3.273  -4.733
   86    HA   CYS  15           HA       CYS  15  -5.675   5.953  -4.866
   87    HB2  CYS  15           1HB      CYS  15  -6.188   6.168  -2.543
   88    HB3  CYS  15           2HB      CYS  15  -7.061   4.781  -3.174
   89    H    HIS  16           H        HIS  16  -4.418   7.259  -2.930
   90    HA   HIS  16           HA       HIS  16  -1.640   7.267  -3.877
   91    HB2  HIS  16           1HB      HIS  16  -1.506   9.440  -2.845
   92    HB3  HIS  16           2HB      HIS  16  -2.974   9.328  -3.804
   93    HD1  HIS  16           1HD      HIS  16  -1.881   9.339  -0.091
   94    HD2  HIS  16           2HD      HIS  16  -5.279   9.749  -2.540
   95    HE1  HIS  16           1HE      HIS  16  -3.780  10.093   1.440
   96    H    TYR  17           H        TYR  17  -2.998   5.473  -1.483
   97    HA   TYR  17           HA       TYR  17  -1.372   5.993   0.805
   98    HB2  TYR  17           1HB      TYR  17  -3.528   4.817   0.835
   99    HB3  TYR  17           2HB      TYR  17  -2.832   3.493  -0.092
  100    HD1  TYR  17           1HD      TYR  17  -2.899   5.166   3.216
  101    HD2  TYR  17           2HD      TYR  17  -1.459   1.793   0.943
  102    HE1  TYR  17           1HE      TYR  17  -2.314   3.989   5.331
  103    HE2  TYR  17           2HE      TYR  17  -0.879   0.614   3.066
  104    HH   TYR  17           HH       TYR  17  -1.478   2.083   6.279
  105    H    SER  18           H        SER  18   0.361   4.882   1.708
  106    HA   SER  18           HA       SER  18   1.630   2.695   0.297
  107    HB2  SER  18           1HB      SER  18   3.888   3.618   0.271
  108    HB3  SER  18           2HB      SER  18   2.797   4.573  -0.739
  109    HG   SER  18           HG       SER  18   2.681   6.127   0.899
  110    H    SER  19           H        SER  19   3.061   1.449   1.592
  111    HA   SER  19           HA       SER  19   3.330   2.139   4.452
  112    HB2  SER  19           1HB      SER  19   2.298   0.043   5.224
  113    HB3  SER  19           2HB      SER  19   1.144   1.126   4.441
  114    HG   SER  19           HG       SER  19   1.468  -0.139   2.501
  115    H    ILE  20           H        ILE  20   4.693   0.769   5.669
  116    HA   ILE  20           HA       ILE  20   6.985  -0.252   4.242
  117    HB   ILE  20           HB       ILE  20   7.311   0.871   6.309
  118   HG12  ILE  20          1HG1      ILE  20   8.655  -0.654   7.626
  119   HG13  ILE  20          2HG1      ILE  20   7.908  -2.056   6.874
  120   HG21  ILE  20          1HG2      ILE  20   5.181   0.443   7.480
  121   HG22  ILE  20          2HG2      ILE  20   5.653  -1.251   7.733
  122   HG23  ILE  20          3HG2      ILE  20   6.563   0.060   8.499
  123   HD11  ILE  20          3HD1      ILE  20   9.546   0.029   5.363
  124   HD12  ILE  20          1HD1      ILE  20  10.194  -1.493   6.016
  125   HD13  ILE  20          2HD1      ILE  20   8.975  -1.540   4.743
  126    H    THR  21           H        THR  21   7.379  -2.179   3.528
  127    HA   THR  21           HA       THR  21   7.189  -4.274   2.802
  128    HB   THR  21           HB       THR  21   6.499  -6.124   4.013
  129    HG1  THR  21           1HG      THR  21   5.078  -4.296   5.601
  130   HG21  THR  21          3HG2      THR  21   8.534  -4.991   4.917
  131   HG22  THR  21          1HG2      THR  21   7.655  -5.967   6.109
  132   HG23  THR  21          2HG2      THR  21   7.508  -4.202   6.137
  133    H    LYS  22           H        LYS  22   6.014  -5.530   1.425
  134    HA   LYS  22           HA       LYS  22   3.497  -4.505   0.475
  135    HB2  LYS  22           1HB      LYS  22   3.536  -6.368  -1.091
  136    HB3  LYS  22           2HB      LYS  22   5.078  -5.517  -1.033
  137    HG2  LYS  22           1HG      LYS  22   6.059  -7.320   0.348
  138    HG3  LYS  22           2HG      LYS  22   4.494  -8.144   0.412
  139    HD2  LYS  22           1HD      LYS  22   5.891  -9.248  -1.204
  140    HD3  LYS  22           2HD      LYS  22   4.554  -8.457  -2.051
  141    HE2  LYS  22           1HE      LYS  22   6.057  -6.575  -2.669
  142    HE3  LYS  22           2HE      LYS  22   7.383  -7.333  -1.774
  143    HZ1  LYS  22           3HZ      LYS  22   7.514  -7.836  -4.150
  144    HZ2  LYS  22           1HZ      LYS  22   6.034  -8.518  -4.145
  145    HZ3  LYS  22           2HZ      LYS  22   7.260  -9.216  -3.321
  146    H    ASN  23           H        ASN  23   4.167  -6.802   2.988
  147    HA   ASN  23           HA       ASN  23   1.628  -8.155   3.047
  148    HB2  ASN  23           1HB      ASN  23   3.682  -8.889   4.254
  149    HB3  ASN  23           2HB      ASN  23   3.577  -7.470   5.296
  150   HD21  ASN  23          1HD2      ASN  23   3.632  -9.224   6.976
  151   HD22  ASN  23          2HD2      ASN  23   2.093  -9.943   7.425
  152    H    CYS  24           H        CYS  24   2.778  -5.145   4.704
  153    HA   CYS  24           HA       CYS  24   0.254  -4.521   5.908
  154    HB2  CYS  24           1HB      CYS  24   2.547  -3.579   6.479
  155    HB3  CYS  24           2HB      CYS  24   2.407  -2.552   5.039
  156    HG   CYS  24           HG       CYS  24   0.121  -1.436   5.733
  157    H    LEU  25           H        LEU  25   1.618  -3.610   2.695
  158    HA   LEU  25           HA       LEU  25  -0.547  -2.055   1.913
  159    HB2  LEU  25           1HB      LEU  25   1.674  -2.125   0.781
  160    HB3  LEU  25           2HB      LEU  25   1.266  -3.721   0.136
  161    HG   LEU  25           HG       LEU  25  -0.699  -2.705  -1.061
  162   HD11  LEU  25          1HD1      LEU  25  -1.087  -0.703   0.332
  163   HD12  LEU  25          2HD1      LEU  25  -0.758  -0.247  -1.328
  164   HD13  LEU  25          3HD1      LEU  25   0.520  -0.070  -0.109
  165   HD21  LEU  25          3HD2      LEU  25   0.581  -1.689  -2.818
  166   HD22  LEU  25          1HD2      LEU  25   1.509  -3.039  -2.152
  167   HD23  LEU  25          2HD2      LEU  25   1.937  -1.367  -1.714
  168    H    LYS  26           H        LYS  26  -0.091  -5.599   1.452
  169    HA   LYS  26           HA       LYS  26  -2.551  -6.102   0.065
  170    HB2  LYS  26           1HB      LYS  26  -0.834  -7.811   1.906
  171    HB3  LYS  26           2HB      LYS  26  -2.305  -8.425   1.139
  172    HG2  LYS  26           1HG      LYS  26  -1.425  -8.067  -1.080
  173    HG3  LYS  26           2HG      LYS  26  -0.049  -7.162  -0.471
  174    HD2  LYS  26           1HD      LYS  26   0.690  -9.385  -1.094
  175    HD3  LYS  26           2HD      LYS  26   0.847  -9.155   0.641
  176    HE2  LYS  26           1HE      LYS  26   0.027 -11.370   0.286
  177    HE3  LYS  26           2HE      LYS  26  -1.285 -10.430   0.994
  178    HZ1  LYS  26           3HZ      LYS  26  -2.042 -11.793  -0.880
  179    HZ2  LYS  26           1HZ      LYS  26  -1.000 -11.070  -1.902
  180    HZ3  LYS  26           2HZ      LYS  26  -2.239 -10.219  -1.256
  181    H    ARG  27           H        ARG  27  -1.919  -5.921   3.591
  182    HA   ARG  27           HA       ARG  27  -4.671  -6.405   4.353
  183    HB2  ARG  27           1HB      ARG  27  -2.458  -4.907   5.825
  184    HB3  ARG  27           2HB      ARG  27  -3.998  -5.373   6.536
  185    HG2  ARG  27           1HG      ARG  27  -1.934  -7.334   5.443
  186    HG3  ARG  27           2HG      ARG  27  -2.129  -6.893   7.138
  187    HD2  ARG  27           1HD      ARG  27  -4.400  -7.829   7.151
  188    HD3  ARG  27           2HD      ARG  27  -4.259  -8.240   5.426
  189    HE   ARG  27           HE       ARG  27  -2.057  -9.435   6.673
  190   HH11  ARG  27          2HH1      ARG  27  -5.536  -9.826   6.873
  191   HH12  ARG  27          1HH1      ARG  27  -5.411 -11.508   7.307
  192   HH21  ARG  27          2HH2      ARG  27  -1.974 -11.578   7.242
  193   HH22  ARG  27          1HH2      ARG  27  -3.444 -12.467   7.513
  194    H    HIS  28           H        HIS  28  -3.002  -3.318   3.568
  195    HA   HIS  28           HA       HIS  28  -5.270  -1.630   4.011
  196    HB2  HIS  28           1HB      HIS  28  -3.228  -0.534   3.650
  197    HB3  HIS  28           2HB      HIS  28  -2.863  -1.432   2.189
  198    HD1  HIS  28           1HD      HIS  28  -4.891   1.586   3.325
  199    HD2  HIS  28           2HD      HIS  28  -3.990  -0.628  -0.131
  200    HE1  HIS  28           1HE      HIS  28  -5.756   2.963   1.380
  201    H    VAL  29           H        VAL  29  -4.321  -3.401   0.997
  202    HA   VAL  29           HA       VAL  29  -6.584  -2.531  -0.520
  203    HB   VAL  29           HB       VAL  29  -4.910  -5.055  -0.810
  204   HG11  VAL  29          1HG1      VAL  29  -7.047  -5.338  -2.026
  205   HG12  VAL  29          2HG1      VAL  29  -6.824  -3.748  -2.793
  206   HG13  VAL  29          3HG1      VAL  29  -5.716  -5.084  -3.155
  207   HG21  VAL  29          3HG2      VAL  29  -3.638  -2.904  -1.092
  208   HG22  VAL  29          1HG2      VAL  29  -3.764  -3.816  -2.592
  209   HG23  VAL  29          2HG2      VAL  29  -4.799  -2.401  -2.328
  210    H    ILE  30           H        ILE  30  -6.188  -5.493   1.473
  211    HA   ILE  30           HA       ILE  30  -8.788  -6.569   1.071
  212    HB   ILE  30           HB       ILE  30  -6.819  -6.749   3.375
  213   HG12  ILE  30          1HG1      ILE  30  -7.610  -8.873   1.336
  214   HG13  ILE  30          2HG1      ILE  30  -6.315  -7.738   1.021
  215   HG21  ILE  30          1HG2      ILE  30  -9.391  -8.353   3.013
  216   HG22  ILE  30          2HG2      ILE  30  -8.112  -8.732   4.183
  217   HG23  ILE  30          3HG2      ILE  30  -9.016  -7.241   4.350
  218   HD11  ILE  30          3HD1      ILE  30  -5.119  -8.540   3.072
  219   HD12  ILE  30          1HD1      ILE  30  -6.368  -9.791   3.265
  220   HD13  ILE  30          2HD1      ILE  30  -5.342  -9.778   1.824
  221    H    GLN  31           H        GLN  31  -7.685  -4.166   3.502
  222    HA   GLN  31           HA       GLN  31 -10.260  -4.067   4.815
  223    HB2  GLN  31           1HB      GLN  31  -8.108  -3.806   5.951
  224    HB3  GLN  31           2HB      GLN  31  -7.786  -2.312   5.058
  225    HG2  GLN  31           1HG      GLN  31  -9.620  -1.177   6.181
  226    HG3  GLN  31           2HG      GLN  31 -10.191  -2.694   6.890
  227   HE21  GLN  31          1HE2      GLN  31  -7.141  -0.683   6.810
  228   HE22  GLN  31          2HE2      GLN  31  -6.801  -0.965   8.511
  229    H    LYS  32           H        LYS  32  -8.683  -1.929   2.423
  230    HA   LYS  32           HA       LYS  32 -10.964  -0.001   2.614
  231    HB2  LYS  32           1HB      LYS  32  -8.144   0.339   1.516
  232    HB3  LYS  32           2HB      LYS  32  -9.367   1.598   1.593
  233    HG2  LYS  32           1HG      LYS  32  -8.092   0.219   3.995
  234    HG3  LYS  32           2HG      LYS  32  -7.747   1.839   3.389
  235    HD2  LYS  32           1HD      LYS  32 -10.178   2.453   3.834
  236    HD3  LYS  32           2HD      LYS  32 -10.377   0.866   4.581
  237    HE2  LYS  32           1HE      LYS  32 -10.038   2.337   6.374
  238    HE3  LYS  32           2HE      LYS  32  -8.524   1.451   6.198
  239    HZ1  LYS  32           3HZ      LYS  32  -9.037   4.203   5.179
  240    HZ2  LYS  32           1HZ      LYS  32  -7.614   3.409   5.030
  241    HZ3  LYS  32           2HZ      LYS  32  -8.161   3.843   6.504
  242    H    HIS  33           H        HIS  33  -9.653  -2.239   0.292
  243    HA   HIS  33           HA       HIS  33 -11.385  -0.989  -1.821
  244    HB2  HIS  33           1HB      HIS  33  -8.750  -2.437  -2.182
  245    HB3  HIS  33           2HB      HIS  33  -9.744  -1.742  -3.454
  246    HD1  HIS  33           1HD      HIS  33 -10.303   1.141  -2.238
  247    HD2  HIS  33           2HD      HIS  33  -6.639  -0.907  -2.174
  248    HE1  HIS  33           1HE      HIS  33  -8.525   2.925  -1.949
  249    H    SER  34           H        SER  34 -10.488  -4.006  -0.265
  250    HA   SER  34           HA       SER  34 -11.428  -6.051  -0.207
  251    HB2  SER  34           1HB      SER  34 -13.881  -4.773  -1.453
  252    HB3  SER  34           2HB      SER  34 -13.815  -6.309  -0.581
  253    HG   SER  34           HG       SER  34 -14.517  -4.580   0.754
  254    H    ASN  35           H        ASN  35 -12.724  -7.800  -1.579
  255    HA   ASN  35           HA       ASN  35 -11.213  -8.320  -3.999
  256    HB2  ASN  35           1HB      ASN  35 -11.942 -10.121  -2.499
  257    HB3  ASN  35           2HB      ASN  35 -13.635  -9.676  -2.737
  258   HD21  ASN  35          1HD2      ASN  35 -10.723 -10.778  -4.571
  259   HD22  ASN  35          2HD2      ASN  35 -11.670 -11.659  -5.759
  260    H    ILE  36           H        ILE  36 -11.777  -8.044  -6.115
  261    HA   ILE  36           HA       ILE  36 -13.986  -6.202  -6.677
  262    HB   ILE  36           HB       ILE  36 -11.712  -5.756  -7.461
  263   HG12  ILE  36          1HG1      ILE  36 -13.676  -6.093  -9.759
  264   HG13  ILE  36          2HG1      ILE  36 -13.769  -4.820  -8.536
  265   HG21  ILE  36          1HG2      ILE  36 -12.090  -8.039  -9.449
  266   HG22  ILE  36          2HG2      ILE  36 -10.690  -6.959  -9.307
  267   HG23  ILE  36          3HG2      ILE  36 -11.035  -8.114  -8.023
  268   HD11  ILE  36          3HD1      ILE  36 -11.519  -5.216 -10.550
  269   HD12  ILE  36          1HD1      ILE  36 -12.725  -3.922 -10.516
  270   HD13  ILE  36          2HD1      ILE  36 -11.502  -4.016  -9.234
  271    H    LEU  37           H        LEU  37 -15.672  -6.503  -8.059
  272    HA   LEU  37           HA       LEU  37 -16.666  -9.245  -8.354
  273    HB2  LEU  37           1HB      LEU  37 -17.912  -6.512  -8.888
  274    HB3  LEU  37           2HB      LEU  37 -18.718  -8.027  -9.199
  275    HG   LEU  37           HG       LEU  37 -19.584  -7.132  -7.205
  276   HD11  LEU  37          1HD1      LEU  37 -17.751  -9.419  -6.396
  277   HD12  LEU  37          2HD1      LEU  37 -19.279  -9.595  -7.289
  278   HD13  LEU  37          3HD1      LEU  37 -19.283  -8.948  -5.640
  279   HD21  LEU  37          3HD2      LEU  37 -16.846  -7.180  -5.893
  280   HD22  LEU  37          1HD2      LEU  37 -18.380  -6.635  -5.200
  281   HD23  LEU  37          2HD2      LEU  37 -17.644  -5.718  -6.526
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1  20.707   6.354   0.469
    2    H2   GLY   1           2H       GLY   1  20.566   7.575   1.555
    3    H3   GLY   1           3H       GLY   1  20.690   7.910  -0.043
    4    HA2  GLY   1           1HA      GLY   1  18.567   6.878  -0.497
    5    HA3  GLY   1           2HA      GLY   1  18.437   6.490   1.228
    6    H    SER   2           H        SER   2  16.732   8.190  -0.577
    7    HA   SER   2           HA       SER   2  17.149  10.953   0.036
    8    HB2  SER   2           1HB      SER   2  14.610   9.568  -0.896
    9    HB3  SER   2           2HB      SER   2  14.990  11.295  -1.032
   10    HG   SER   2           HG       SER   2  15.429  10.160  -2.982
   11    H    SER   3           H        SER   3  15.580   8.491   1.914
   12    HA   SER   3           HA       SER   3  14.556  10.504   3.867
   13    HB2  SER   3           1HB      SER   3  13.040   8.050   2.890
   14    HB3  SER   3           2HB      SER   3  12.536   9.131   4.203
   15    HG   SER   3           HG       SER   3  11.525   9.657   2.207
   16    H    GLY   4           H        GLY   4  14.459   9.804   6.027
   17    HA2  GLY   4           1HA      GLY   4  16.517   7.913   6.814
   18    HA3  GLY   4           2HA      GLY   4  15.503   8.893   7.870
   19    H    SER   5           H        SER   5  13.293   7.284   6.025
   20    HA   SER   5           HA       SER   5  12.338   5.655   8.106
   21    HB2  SER   5           1HB      SER   5  11.741   5.379   5.138
   22    HB3  SER   5           2HB      SER   5  10.731   4.821   6.486
   23    HG   SER   5           HG       SER   5  10.018   6.848   5.679
   24    H    SER   6           H        SER   6  12.281   3.461   8.518
   25    HA   SER   6           HA       SER   6  14.481   1.808   7.534
   26    HB2  SER   6           1HB      SER   6  13.579   0.146   9.143
   27    HB3  SER   6           2HB      SER   6  13.960   1.715   9.868
   28    HG   SER   6           HG       SER   6  11.925   0.914  10.568
   29    H    GLY   7           H        GLY   7  14.211  -0.349   6.680
   30    HA2  GLY   7           1HA      GLY   7  13.410  -1.879   5.139
   31    HA3  GLY   7           2HA      GLY   7  11.780  -1.358   5.558
   32    H    HIS   8           H        HIS   8  10.921  -1.294   3.518
   33    HA   HIS   8           HA       HIS   8  11.657   1.029   1.862
   34    HB2  HIS   8           1HB      HIS   8  12.813  -1.016   0.904
   35    HB3  HIS   8           2HB      HIS   8  11.223  -1.715   0.618
   36    HD1  HIS   8           1HD      HIS   8  13.415   1.254  -0.536
   37    HD2  HIS   8           2HD      HIS   8   9.947  -0.886  -1.590
   38    HE1  HIS   8           1HE      HIS   8  12.756   2.065  -2.861
   39    H    LEU   9           H        LEU   9   9.881   1.962   0.814
   40    HA   LEU   9           HA       LEU   9   7.255   1.131   1.903
   41    HB2  LEU   9           1HB      LEU   9   8.233   3.723   0.665
   42    HB3  LEU   9           2HB      LEU   9   6.535   3.358   0.930
   43    HG   LEU   9           HG       LEU   9   7.053   2.983   3.389
   44   HD11  LEU   9          1HD1      LEU   9   9.030   4.201   4.289
   45   HD12  LEU   9          2HD1      LEU   9   9.640   4.426   2.633
   46   HD13  LEU   9          3HD1      LEU   9   9.518   2.800   3.343
   47   HD21  LEU   9          3HD2      LEU   9   7.521   5.750   2.206
   48   HD22  LEU   9          1HD2      LEU   9   7.006   5.398   3.871
   49   HD23  LEU   9          2HD2      LEU   9   5.942   4.997   2.517
   50    H    TYR  10           H        TYR  10   5.540   0.559   0.761
   51    HA   TYR  10           HA       TYR  10   5.719   0.330  -2.218
   52    HB2  TYR  10           1HB      TYR  10   4.592  -1.657  -0.212
   53    HB3  TYR  10           2HB      TYR  10   4.339  -1.743  -1.949
   54    HD1  TYR  10           1HD      TYR  10   7.018  -1.768   0.667
   55    HD2  TYR  10           2HD      TYR  10   5.942  -2.773  -3.384
   56    HE1  TYR  10           1HE      TYR  10   9.160  -3.026   0.409
   57    HE2  TYR  10           2HE      TYR  10   8.078  -4.019  -3.643
   58    HH   TYR  10           HH       TYR  10  10.049  -4.665  -2.645
   59    H    TYR  11           H        TYR  11   3.871   0.816  -3.356
   60    HA   TYR  11           HA       TYR  11   1.917   2.499  -1.871
   61    HB2  TYR  11           1HB      TYR  11   3.011   2.645  -4.694
   62    HB3  TYR  11           2HB      TYR  11   1.645   3.592  -4.131
   63    HD1  TYR  11           2HD      TYR  11   5.288   2.945  -3.444
   64    HD2  TYR  11           1HD      TYR  11   1.939   5.631  -2.977
   65    HE1  TYR  11           2HE      TYR  11   6.803   4.673  -2.494
   66    HE2  TYR  11           1HE      TYR  11   3.463   7.365  -2.051
   67    HH   TYR  11           HH       TYR  11   5.613   7.894  -1.458
   68    H    CYS  12           H        CYS  12  -0.224   2.499  -2.293
   69    HA   CYS  12           HA       CYS  12  -1.532   0.063  -2.712
   70    HB2  CYS  12           1HB      CYS  12  -2.343   1.911  -1.370
   71    HB3  CYS  12           2HB      CYS  12  -2.497   2.940  -2.805
   72    H    SER  13           H        SER  13  -2.902  -0.711  -4.261
   73    HA   SER  13           HA       SER  13  -2.151  -0.241  -7.061
   74    HB2  SER  13           1HB      SER  13  -4.105  -2.208  -5.818
   75    HB3  SER  13           2HB      SER  13  -3.591  -2.196  -7.512
   76    HG   SER  13           HG       SER  13  -1.459  -2.613  -6.819
   77    H    GLN  14           H        GLN  14  -4.557   1.059  -4.999
   78    HA   GLN  14           HA       GLN  14  -6.168   1.948  -7.377
   79    HB2  GLN  14           1HB      GLN  14  -7.225   1.137  -4.643
   80    HB3  GLN  14           2HB      GLN  14  -8.161   1.885  -5.920
   81    HG2  GLN  14           1HG      GLN  14  -8.731  -0.311  -6.205
   82    HG3  GLN  14           2HG      GLN  14  -7.480  -0.103  -7.419
   83   HE21  GLN  14          1HE2      GLN  14  -7.505  -2.560  -7.264
   84   HE22  GLN  14          2HE2      GLN  14  -6.551  -3.293  -5.981
   85    H    CYS  15           H        CYS  15  -4.474   3.075  -4.532
   86    HA   CYS  15           HA       CYS  15  -5.351   5.822  -5.148
   87    HB2  CYS  15           1HB      CYS  15  -6.136   6.356  -2.982
   88    HB3  CYS  15           2HB      CYS  15  -6.990   4.913  -3.499
   89    H    HIS  16           H        HIS  16  -4.272   7.160  -3.042
   90    HA   HIS  16           HA       HIS  16  -1.437   7.121  -3.797
   91    HB2  HIS  16           1HB      HIS  16  -3.003   9.089  -2.093
   92    HB3  HIS  16           2HB      HIS  16  -1.384   9.330  -2.747
   93    HD1  HIS  16           1HD      HIS  16  -4.791  10.292  -3.561
   94    HD2  HIS  16           2HD      HIS  16  -1.407   8.981  -5.694
   95    HE1  HIS  16           1HE      HIS  16  -5.152  11.006  -5.980
   96    H    TYR  17           H        TYR  17  -3.046   5.543  -1.332
   97    HA   TYR  17           HA       TYR  17  -1.427   6.058   0.964
   98    HB2  TYR  17           1HB      TYR  17  -3.610   4.975   1.062
   99    HB3  TYR  17           2HB      TYR  17  -3.013   3.617   0.119
  100    HD1  TYR  17           1HD      TYR  17  -2.826   5.311   3.428
  101    HD2  TYR  17           2HD      TYR  17  -1.752   1.822   1.126
  102    HE1  TYR  17           1HE      TYR  17  -2.163   4.132   5.519
  103    HE2  TYR  17           2HE      TYR  17  -1.092   0.647   3.225
  104    HH   TYR  17           HH       TYR  17  -1.348   2.197   6.439
  105    H    SER  18           H        SER  18   0.242   4.837   1.941
  106    HA   SER  18           HA       SER  18   1.514   2.668   0.475
  107    HB2  SER  18           1HB      SER  18   3.788   3.589   0.575
  108    HB3  SER  18           2HB      SER  18   2.734   4.556  -0.459
  109    HG   SER  18           HG       SER  18   2.543   6.078   1.201
  110    H    SER  19           H        SER  19   2.993   1.422   1.699
  111    HA   SER  19           HA       SER  19   3.242   1.952   4.598
  112    HB2  SER  19           1HB      SER  19   1.128   0.628   4.262
  113    HB3  SER  19           2HB      SER  19   2.116  -0.690   3.599
  114    HG   SER  19           HG       SER  19   1.608  -0.700   5.956
  115    H    ILE  20           H        ILE  20   4.809   0.495   5.642
  116    HA   ILE  20           HA       ILE  20   7.107  -0.052   3.904
  117    HB   ILE  20           HB       ILE  20   8.224  -0.832   5.991
  118   HG12  ILE  20          1HG1      ILE  20   5.798   0.343   7.430
  119   HG13  ILE  20          2HG1      ILE  20   6.172  -1.377   7.333
  120   HG21  ILE  20          1HG2      ILE  20   8.650   1.459   6.734
  121   HG22  ILE  20          2HG2      ILE  20   8.470   1.411   4.989
  122   HG23  ILE  20          3HG2      ILE  20   7.132   2.015   5.993
  123   HD11  ILE  20          3HD1      ILE  20   7.840   0.742   8.734
  124   HD12  ILE  20          1HD1      ILE  20   6.909  -0.571   9.465
  125   HD13  ILE  20          2HD1      ILE  20   8.347  -0.950   8.497
  126    H    THR  21           H        THR  21   7.677  -1.837   3.057
  127    HA   THR  21           HA       THR  21   7.511  -3.726   2.003
  128    HB   THR  21           HB       THR  21   8.446  -4.623   4.072
  129    HG1  THR  21           1HG      THR  21   8.146  -6.729   3.284
  130   HG21  THR  21          3HG2      THR  21   6.571  -4.800   5.613
  131   HG22  THR  21          1HG2      THR  21   7.143  -6.415   5.213
  132   HG23  THR  21          2HG2      THR  21   5.657  -5.800   4.463
  133    H    LYS  22           H        LYS  22   6.367  -5.018   0.736
  134    HA   LYS  22           HA       LYS  22   3.689  -4.269   0.211
  135    HB2  LYS  22           1HB      LYS  22   3.735  -5.716  -1.617
  136    HB3  LYS  22           2HB      LYS  22   5.354  -5.084  -1.471
  137    HG2  LYS  22           1HG      LYS  22   4.380  -7.871  -0.699
  138    HG3  LYS  22           2HG      LYS  22   5.332  -7.444  -2.109
  139    HD2  LYS  22           1HD      LYS  22   6.299  -7.329   0.776
  140    HD3  LYS  22           2HD      LYS  22   6.685  -8.568  -0.407
  141    HE2  LYS  22           1HE      LYS  22   7.896  -7.018  -1.809
  142    HE3  LYS  22           2HE      LYS  22   7.354  -5.634  -0.863
  143    HZ1  LYS  22           3HZ      LYS  22   9.598  -6.248  -0.241
  144    HZ2  LYS  22           1HZ      LYS  22   9.154  -7.776   0.130
  145    HZ3  LYS  22           2HZ      LYS  22   8.614  -6.528   1.043
  146    H    ASN  23           H        ASN  23   4.810  -6.843   2.276
  147    HA   ASN  23           HA       ASN  23   2.378  -8.396   2.295
  148    HB2  ASN  23           1HB      ASN  23   4.660  -8.148   4.310
  149    HB3  ASN  23           2HB      ASN  23   3.356  -9.322   4.425
  150   HD21  ASN  23          1HD2      ASN  23   5.755 -10.420   4.447
  151   HD22  ASN  23          2HD2      ASN  23   6.123 -11.149   2.892
  152    H    CYS  24           H        CYS  24   3.445  -5.583   4.219
  153    HA   CYS  24           HA       CYS  24   1.134  -5.653   6.005
  154    HB2  CYS  24           1HB      CYS  24   3.271  -3.554   5.449
  155    HB3  CYS  24           2HB      CYS  24   2.075  -3.455   6.747
  156    HG   CYS  24           HG       CYS  24   4.451  -4.167   7.681
  157    H    LEU  25           H        LEU  25   1.966  -3.986   2.979
  158    HA   LEU  25           HA       LEU  25  -0.112  -2.143   2.841
  159    HB2  LEU  25           1HB      LEU  25   1.870  -2.149   1.397
  160    HB3  LEU  25           2HB      LEU  25   1.362  -3.673   0.674
  161    HG   LEU  25           HG       LEU  25  -0.633  -2.549  -0.313
  162   HD11  LEU  25          1HD1      LEU  25  -0.650  -0.067  -0.418
  163   HD12  LEU  25          2HD1      LEU  25   0.683  -0.010   0.757
  164   HD13  LEU  25          3HD1      LEU  25  -0.911  -0.658   1.225
  165   HD21  LEU  25          3HD2      LEU  25   0.586  -1.414  -2.052
  166   HD22  LEU  25          1HD2      LEU  25   1.481  -2.853  -1.555
  167   HD23  LEU  25          2HD2      LEU  25   2.013  -1.249  -1.003
  168    H    LYS  26           H        LYS  26  -0.196  -5.624   2.032
  169    HA   LYS  26           HA       LYS  26  -2.583  -5.781   0.553
  170    HB2  LYS  26           1HB      LYS  26  -1.658  -7.720   2.729
  171    HB3  LYS  26           2HB      LYS  26  -2.846  -8.075   1.487
  172    HG2  LYS  26           1HG      LYS  26   0.121  -7.595   1.110
  173    HG3  LYS  26           2HG      LYS  26  -0.744  -9.102   0.918
  174    HD2  LYS  26           1HD      LYS  26  -1.001  -6.657  -0.890
  175    HD3  LYS  26           2HD      LYS  26  -0.131  -8.151  -1.244
  176    HE2  LYS  26           1HE      LYS  26  -2.278  -9.431  -1.039
  177    HE3  LYS  26           2HE      LYS  26  -3.142  -7.907  -0.794
  178    HZ1  LYS  26           3HZ      LYS  26  -2.378  -7.208  -3.014
  179    HZ2  LYS  26           1HZ      LYS  26  -3.222  -8.604  -3.118
  180    HZ3  LYS  26           2HZ      LYS  26  -1.596  -8.627  -3.231
  181    H    ARG  27           H        ARG  27  -2.286  -5.421   4.051
  182    HA   ARG  27           HA       ARG  27  -4.994  -5.949   4.797
  183    HB2  ARG  27           1HB      ARG  27  -3.041  -4.002   6.094
  184    HB3  ARG  27           2HB      ARG  27  -4.420  -4.768   6.878
  185    HG2  ARG  27           1HG      ARG  27  -3.362  -6.980   6.703
  186    HG3  ARG  27           2HG      ARG  27  -1.980  -6.299   5.836
  187    HD2  ARG  27           1HD      ARG  27  -2.794  -5.620   8.681
  188    HD3  ARG  27           2HD      ARG  27  -1.441  -6.659   8.193
  189    HE   ARG  27           HE       ARG  27  -1.043  -4.204   6.881
  190   HH11  ARG  27          2HH1      ARG  27  -1.013  -5.309  10.207
  191   HH12  ARG  27          1HH1      ARG  27  -0.077  -3.943  10.749
  192   HH21  ARG  27          2HH2      ARG  27   0.012  -2.420   7.665
  193   HH22  ARG  27          1HH2      ARG  27   0.523  -2.369   9.326
  194    H    HIS  28           H        HIS  28  -3.522  -2.965   3.560
  195    HA   HIS  28           HA       HIS  28  -5.862  -1.280   4.030
  196    HB2  HIS  28           1HB      HIS  28  -3.751  -0.196   3.832
  197    HB3  HIS  28           2HB      HIS  28  -3.351  -1.037   2.340
  198    HD1  HIS  28           1HD      HIS  28  -5.416   1.947   3.534
  199    HD2  HIS  28           2HD      HIS  28  -4.320  -0.130   0.052
  200    HE1  HIS  28           1HE      HIS  28  -6.141   3.419   1.597
  201    H    VAL  29           H        VAL  29  -4.577  -3.086   1.194
  202    HA   VAL  29           HA       VAL  29  -6.672  -2.346  -0.608
  203    HB   VAL  29           HB       VAL  29  -4.960  -4.864  -0.651
  204   HG11  VAL  29          1HG1      VAL  29  -5.365  -4.793  -3.101
  205   HG12  VAL  29          2HG1      VAL  29  -6.868  -5.033  -2.206
  206   HG13  VAL  29          3HG1      VAL  29  -6.483  -3.431  -2.873
  207   HG21  VAL  29          3HG2      VAL  29  -3.530  -2.848  -0.616
  208   HG22  VAL  29          1HG2      VAL  29  -3.516  -3.584  -2.219
  209   HG23  VAL  29          2HG2      VAL  29  -4.491  -2.129  -1.929
  210    H    ILE  30           H        ILE  30  -6.367  -5.165   1.554
  211    HA   ILE  30           HA       ILE  30  -8.768  -6.520   0.913
  212    HB   ILE  30           HB       ILE  30  -7.100  -6.320   3.444
  213   HG12  ILE  30          1HG1      ILE  30  -7.452  -8.668   1.537
  214   HG13  ILE  30          2HG1      ILE  30  -6.237  -7.441   1.258
  215   HG21  ILE  30          1HG2      ILE  30  -8.282  -8.350   4.290
  216   HG22  ILE  30          2HG2      ILE  30  -9.339  -6.956   4.220
  217   HG23  ILE  30          3HG2      ILE  30  -9.449  -8.206   2.961
  218   HD11  ILE  30          3HD1      ILE  30  -5.181  -9.300   2.342
  219   HD12  ILE  30          1HD1      ILE  30  -5.230  -7.966   3.506
  220   HD13  ILE  30          2HD1      ILE  30  -6.372  -9.320   3.649
  221    H    GLN  31           H        GLN  31  -8.268  -3.828   3.233
  222    HA   GLN  31           HA       GLN  31 -11.067  -4.000   4.130
  223    HB2  GLN  31           1HB      GLN  31  -8.701  -2.291   4.959
  224    HB3  GLN  31           2HB      GLN  31 -10.314  -2.140   5.667
  225    HG2  GLN  31           1HG      GLN  31 -10.280  -4.461   6.433
  226    HG3  GLN  31           2HG      GLN  31  -8.714  -4.737   5.666
  227   HE21  GLN  31          1HE2      GLN  31  -6.863  -3.411   6.448
  228   HE22  GLN  31          2HE2      GLN  31  -6.851  -2.935   8.155
  229    H    LYS  32           H        LYS  32  -9.190  -1.799   2.063
  230    HA   LYS  32           HA       LYS  32 -11.454   0.149   2.039
  231    HB2  LYS  32           1HB      LYS  32  -8.578   0.463   1.100
  232    HB3  LYS  32           2HB      LYS  32  -9.785   1.737   1.205
  233    HG2  LYS  32           1HG      LYS  32  -8.577   0.220   3.559
  234    HG3  LYS  32           2HG      LYS  32  -8.226   1.874   3.062
  235    HD2  LYS  32           1HD      LYS  32 -10.601   2.506   3.525
  236    HD3  LYS  32           2HD      LYS  32 -10.901   0.857   4.121
  237    HE2  LYS  32           1HE      LYS  32  -9.130   1.147   5.832
  238    HE3  LYS  32           2HE      LYS  32  -8.827   2.788   5.247
  239    HZ1  LYS  32           3HZ      LYS  32 -11.113   3.364   5.872
  240    HZ2  LYS  32           1HZ      LYS  32 -10.307   2.796   7.171
  241    HZ3  LYS  32           2HZ      LYS  32 -11.397   1.848   6.412
  242    H    HIS  33           H        HIS  33 -10.084  -2.177  -0.136
  243    HA   HIS  33           HA       HIS  33 -11.511  -0.894  -2.433
  244    HB2  HIS  33           1HB      HIS  33  -8.745  -2.140  -2.504
  245    HB3  HIS  33           2HB      HIS  33  -9.602  -1.409  -3.857
  246    HD1  HIS  33           1HD      HIS  33 -10.464   1.369  -2.694
  247    HD2  HIS  33           2HD      HIS  33  -6.797  -0.536  -1.951
  248    HE1  HIS  33           1HE      HIS  33  -8.862   3.211  -2.010
  249    H    SER  34           H        SER  34 -11.732  -2.354  -4.334
  250    HA   SER  34           HA       SER  34 -13.210  -4.687  -3.581
  251    HB2  SER  34           1HB      SER  34 -12.295  -3.802  -6.343
  252    HB3  SER  34           2HB      SER  34 -13.584  -4.964  -5.975
  253    HG   SER  34           HG       SER  34 -14.404  -2.851  -6.384
  254    H    ASN  35           H        ASN  35 -12.882  -6.876  -4.026
  255    HA   ASN  35           HA       ASN  35 -10.116  -7.821  -4.005
  256    HB2  ASN  35           1HB      ASN  35 -12.817  -9.240  -4.045
  257    HB3  ASN  35           2HB      ASN  35 -11.273 -10.081  -3.976
  258   HD21  ASN  35          1HD2      ASN  35 -13.147 -10.486  -1.986
  259   HD22  ASN  35          2HD2      ASN  35 -12.525  -9.776  -0.502
  260    H    ILE  36           H        ILE  36 -12.614  -7.529  -6.505
  261    HA   ILE  36           HA       ILE  36 -11.220  -9.149  -8.447
  262    HB   ILE  36           HB       ILE  36 -13.660  -8.913  -8.376
  263   HG12  ILE  36          1HG1      ILE  36 -14.137  -8.551 -10.721
  264   HG13  ILE  36          2HG1      ILE  36 -12.545  -7.847 -10.999
  265   HG21  ILE  36          1HG2      ILE  36 -13.272  -6.038  -9.315
  266   HG22  ILE  36          2HG2      ILE  36 -14.811  -6.902  -9.158
  267   HG23  ILE  36          3HG2      ILE  36 -13.868  -6.536  -7.717
  268   HD11  ILE  36          3HD1      ILE  36 -13.072 -10.711 -10.065
  269   HD12  ILE  36          1HD1      ILE  36 -12.719 -10.223 -11.734
  270   HD13  ILE  36          2HD1      ILE  36 -11.483 -10.027 -10.484
  271    H    LEU  37           H        LEU  37 -10.101  -8.498 -10.271
  272    HA   LEU  37           HA       LEU  37  -9.311  -5.719 -10.707
  273    HB2  LEU  37           1HB      LEU  37  -6.874  -6.236 -10.549
  274    HB3  LEU  37           2HB      LEU  37  -7.741  -6.207  -9.031
  275    HG   LEU  37           HG       LEU  37  -7.716  -8.699  -8.946
  276   HD11  LEU  37          1HD1      LEU  37  -6.083  -9.896 -10.413
  277   HD12  LEU  37          2HD1      LEU  37  -5.957  -8.436 -11.422
  278   HD13  LEU  37          3HD1      LEU  37  -7.496  -9.320 -11.293
  279   HD21  LEU  37          3HD2      LEU  37  -6.006  -7.324  -7.831
  280   HD22  LEU  37          1HD2      LEU  37  -5.006  -7.361  -9.300
  281   HD23  LEU  37          2HD2      LEU  37  -5.332  -8.857  -8.397
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1  16.512  11.814  -1.887
    2    H2   GLY   1           2H       GLY   1  17.330  13.232  -1.960
    3    H3   GLY   1           3H       GLY   1  16.003  13.097  -1.006
    4    HA2  GLY   1           1HA      GLY   1  18.539  11.647  -0.607
    5    HA3  GLY   1           2HA      GLY   1  18.011  13.056   0.332
    6    H    SER   2           H        SER   2  18.639  10.373   1.308
    7    HA   SER   2           HA       SER   2  16.412   8.729   1.729
    8    HB2  SER   2           1HB      SER   2  18.823   9.048   3.550
    9    HB3  SER   2           2HB      SER   2  17.766   7.629   3.418
   10    HG   SER   2           HG       SER   2  19.698   7.398   2.185
   11    H    SER   3           H        SER   3  17.189  11.674   3.471
   12    HA   SER   3           HA       SER   3  15.544  11.183   5.810
   13    HB2  SER   3           1HB      SER   3  15.795  13.654   6.106
   14    HB3  SER   3           2HB      SER   3  17.328  12.780   5.930
   15    HG   SER   3           HG       SER   3  17.243  14.693   4.637
   16    H    GLY   4           H        GLY   4  14.900  12.390   2.558
   17    HA2  GLY   4           1HA      GLY   4  12.111  13.198   3.216
   18    HA3  GLY   4           2HA      GLY   4  12.962  13.427   1.690
   19    H    SER   5           H        SER   5  13.887  10.645   1.490
   20    HA   SER   5           HA       SER   5  11.314   9.239   0.820
   21    HB2  SER   5           1HB      SER   5  13.954   9.248  -0.685
   22    HB3  SER   5           2HB      SER   5  12.541   8.250  -1.073
   23    HG   SER   5           HG       SER   5  12.667  11.102  -1.054
   24    H    SER   6           H        SER   6  11.102   7.873   2.531
   25    HA   SER   6           HA       SER   6  13.250   6.361   3.701
   26    HB2  SER   6           1HB      SER   6  10.255   5.880   3.859
   27    HB3  SER   6           2HB      SER   6  11.490   5.189   4.927
   28    HG   SER   6           HG       SER   6  10.504   7.056   5.840
   29    H    GLY   7           H        GLY   7  13.711   4.156   3.627
   30    HA2  GLY   7           1HA      GLY   7  13.447   2.823   1.069
   31    HA3  GLY   7           2HA      GLY   7  14.206   2.181   2.521
   32    H    HIS   8           H        HIS   8  12.788   0.592   0.850
   33    HA   HIS   8           HA       HIS   8  11.157  -0.916   0.610
   34    HB2  HIS   8           1HB      HIS   8  10.883  -2.377   2.480
   35    HB3  HIS   8           2HB      HIS   8  12.542  -1.837   2.292
   36    HD1  HIS   8           1HD      HIS   8  13.648  -0.724   4.421
   37    HD2  HIS   8           2HD      HIS   8   9.490  -1.304   4.642
   38    HE1  HIS   8           1HE      HIS   8  12.981  -0.198   6.826
   39    H    LEU   9           H        LEU   9   9.970   1.664   0.759
   40    HA   LEU   9           HA       LEU   9   7.257   1.178   1.816
   41    HB2  LEU   9           1HB      LEU   9   8.467   3.460   0.220
   42    HB3  LEU   9           2HB      LEU   9   6.750   3.354   0.589
   43    HG   LEU   9           HG       LEU   9   8.949   3.507   2.696
   44   HD11  LEU   9          1HD1      LEU   9   8.080   5.804   3.046
   45   HD12  LEU   9          2HD1      LEU   9   6.972   5.593   1.674
   46   HD13  LEU   9          3HD1      LEU   9   8.730   5.592   1.410
   47   HD21  LEU   9          3HD2      LEU   9   6.949   2.370   3.579
   48   HD22  LEU   9          1HD2      LEU   9   5.904   3.653   2.933
   49   HD23  LEU   9          2HD2      LEU   9   7.056   3.996   4.242
   50    H    TYR  10           H        TYR  10   5.534   0.592   0.750
   51    HA   TYR  10           HA       TYR  10   5.593   0.145  -2.204
   52    HB2  TYR  10           1HB      TYR  10   4.396  -1.607  -0.024
   53    HB3  TYR  10           2HB      TYR  10   3.967  -1.731  -1.722
   54    HD1  TYR  10           1HD      TYR  10   6.950  -1.900   0.557
   55    HD2  TYR  10           2HD      TYR  10   5.190  -3.091  -3.194
   56    HE1  TYR  10           1HE      TYR  10   8.872  -3.434   0.142
   57    HE2  TYR  10           2HE      TYR  10   7.099  -4.631  -3.602
   58    HH   TYR  10           HH       TYR  10   9.086  -5.456  -2.808
   59    H    TYR  11           H        TYR  11   3.611   0.574  -3.275
   60    HA   TYR  11           HA       TYR  11   1.841   2.477  -1.796
   61    HB2  TYR  11           1HB      TYR  11   2.994   2.751  -4.587
   62    HB3  TYR  11           2HB      TYR  11   1.846   3.847  -3.835
   63    HD1  TYR  11           1HD      TYR  11   5.350   2.555  -3.644
   64    HD2  TYR  11           2HD      TYR  11   2.559   5.573  -2.325
   65    HE1  TYR  11           1HE      TYR  11   7.222   3.845  -2.627
   66    HE2  TYR  11           2HE      TYR  11   4.438   6.881  -1.354
   67    HH   TYR  11           HH       TYR  11   6.698   6.983  -0.977
   68    H    CYS  12           H        CYS  12  -0.269   2.359  -2.074
   69    HA   CYS  12           HA       CYS  12  -1.595   0.166  -3.256
   70    HB2  CYS  12           1HB      CYS  12  -2.344   1.586  -1.358
   71    HB3  CYS  12           2HB      CYS  12  -2.611   2.922  -2.483
   72    H    SER  13           H        SER  13  -2.141  -0.260  -5.309
   73    HA   SER  13           HA       SER  13  -1.722   1.606  -7.484
   74    HB2  SER  13           1HB      SER  13  -1.488  -0.924  -7.534
   75    HB3  SER  13           2HB      SER  13  -3.256  -1.011  -7.597
   76    HG   SER  13           HG       SER  13  -2.265  -1.042  -9.686
   77    H    GLN  14           H        GLN  14  -4.337   1.206  -5.324
   78    HA   GLN  14           HA       GLN  14  -6.422   2.159  -7.209
   79    HB2  GLN  14           1HB      GLN  14  -6.584   1.246  -4.319
   80    HB3  GLN  14           2HB      GLN  14  -7.939   1.745  -5.303
   81    HG2  GLN  14           1HG      GLN  14  -7.904  -0.641  -5.167
   82    HG3  GLN  14           2HG      GLN  14  -7.602  -0.139  -6.828
   83   HE21  GLN  14          1HE2      GLN  14  -5.246  -0.533  -4.005
   84   HE22  GLN  14          2HE2      GLN  14  -4.358  -1.784  -4.847
   85    H    CYS  15           H        CYS  15  -4.652   3.313  -4.317
   86    HA   CYS  15           HA       CYS  15  -5.800   6.025  -4.727
   87    HB2  CYS  15           1HB      CYS  15  -6.521   6.219  -2.468
   88    HB3  CYS  15           2HB      CYS  15  -7.253   4.776  -3.162
   89    H    HIS  16           H        HIS  16  -2.953   4.466  -4.530
   90    HA   HIS  16           HA       HIS  16  -0.856   4.941  -4.073
   91    HB2  HIS  16           1HB      HIS  16  -1.562   6.881  -5.547
   92    HB3  HIS  16           2HB      HIS  16  -1.511   7.880  -4.096
   93    HD1  HIS  16           1HD      HIS  16   0.906   5.543  -6.083
   94    HD2  HIS  16           2HD      HIS  16   0.840   8.917  -3.567
   95    HE1  HIS  16           1HE      HIS  16   3.309   6.392  -5.961
   96    H    TYR  17           H        TYR  17  -2.794   4.893  -1.635
   97    HA   TYR  17           HA       TYR  17  -1.434   6.053   0.583
   98    HB2  TYR  17           1HB      TYR  17  -3.587   5.016   0.851
   99    HB3  TYR  17           2HB      TYR  17  -3.004   3.489   0.200
  100    HD1  TYR  17           1HD      TYR  17  -2.915   5.722   3.170
  101    HD2  TYR  17           2HD      TYR  17  -1.836   1.875   1.540
  102    HE1  TYR  17           1HE      TYR  17  -2.399   4.887   5.463
  103    HE2  TYR  17           2HE      TYR  17  -1.334   1.040   3.827
  104    HH   TYR  17           HH       TYR  17  -1.275   1.538   6.070
  105    H    SER  18           H        SER  18   0.434   5.526   1.676
  106    HA   SER  18           HA       SER  18   2.165   3.427   0.493
  107    HB2  SER  18           1HB      SER  18   4.033   4.671   1.453
  108    HB3  SER  18           2HB      SER  18   3.057   5.638   0.335
  109    HG   SER  18           HG       SER  18   3.571   6.807   2.239
  110    H    SER  19           H        SER  19   3.136   1.849   1.642
  111    HA   SER  19           HA       SER  19   2.936   1.791   4.599
  112    HB2  SER  19           1HB      SER  19   0.950   0.538   3.490
  113    HB3  SER  19           2HB      SER  19   2.162  -0.654   2.993
  114    HG   SER  19           HG       SER  19   1.416   0.152   5.624
  115    H    ILE  20           H        ILE  20   4.425   0.323   5.606
  116    HA   ILE  20           HA       ILE  20   6.907  -0.120   4.084
  117    HB   ILE  20           HB       ILE  20   7.832  -0.945   6.203
  118   HG12  ILE  20          1HG1      ILE  20   6.106   0.091   8.183
  119   HG13  ILE  20          2HG1      ILE  20   5.044  -0.868   7.168
  120   HG21  ILE  20          1HG2      ILE  20   7.982   1.253   7.255
  121   HG22  ILE  20          2HG2      ILE  20   8.077   1.373   5.497
  122   HG23  ILE  20          3HG2      ILE  20   6.571   1.816   6.337
  123   HD11  ILE  20          3HD1      ILE  20   7.616  -1.824   8.495
  124   HD12  ILE  20          1HD1      ILE  20   5.956  -2.222   8.983
  125   HD13  ILE  20          2HD1      ILE  20   6.593  -2.823   7.440
  126    H    THR  21           H        THR  21   7.382  -1.872   3.031
  127    HA   THR  21           HA       THR  21   7.272  -3.873   2.044
  128    HB   THR  21           HB       THR  21   7.009  -5.897   3.115
  129    HG1  THR  21           1HG      THR  21   5.536  -4.477   5.039
  130   HG21  THR  21          3HG2      THR  21   8.336  -5.782   5.120
  131   HG22  THR  21          1HG2      THR  21   7.975  -4.059   5.339
  132   HG23  THR  21          2HG2      THR  21   8.958  -4.595   3.956
  133    H    LYS  22           H        LYS  22   5.967  -5.373   0.883
  134    HA   LYS  22           HA       LYS  22   3.346  -4.414   0.177
  135    HB2  LYS  22           1HB      LYS  22   4.979  -5.601  -1.316
  136    HB3  LYS  22           2HB      LYS  22   4.625  -7.105  -0.454
  137    HG2  LYS  22           1HG      LYS  22   2.267  -6.986  -1.188
  138    HG3  LYS  22           2HG      LYS  22   2.545  -5.386  -1.889
  139    HD2  LYS  22           1HD      LYS  22   2.491  -7.029  -3.654
  140    HD3  LYS  22           2HD      LYS  22   4.131  -6.375  -3.524
  141    HE2  LYS  22           1HE      LYS  22   4.834  -8.391  -2.247
  142    HE3  LYS  22           2HE      LYS  22   3.182  -9.020  -2.320
  143    HZ1  LYS  22           3HZ      LYS  22   4.584  -9.994  -4.049
  144    HZ2  LYS  22           1HZ      LYS  22   4.923  -8.530  -4.681
  145    HZ3  LYS  22           2HZ      LYS  22   3.400  -9.117  -4.747
  146    H    ASN  23           H        ASN  23   4.402  -6.746   2.575
  147    HA   ASN  23           HA       ASN  23   1.945  -8.202   2.831
  148    HB2  ASN  23           1HB      ASN  23   4.252  -8.920   3.579
  149    HB3  ASN  23           2HB      ASN  23   4.144  -7.760   4.906
  150   HD21  ASN  23          1HD2      ASN  23   2.625 -10.699   3.509
  151   HD22  ASN  23          2HD2      ASN  23   1.952 -11.235   5.038
  152    H    CYS  24           H        CYS  24   3.107  -5.223   4.480
  153    HA   CYS  24           HA       CYS  24   0.677  -4.974   6.093
  154    HB2  CYS  24           1HB      CYS  24   2.861  -2.979   5.412
  155    HB3  CYS  24           2HB      CYS  24   1.578  -2.726   6.598
  156    HG   CYS  24           HG       CYS  24   3.949  -3.315   7.719
  157    H    LEU  25           H        LEU  25   1.796  -3.576   2.957
  158    HA   LEU  25           HA       LEU  25  -0.397  -1.927   2.508
  159    HB2  LEU  25           1HB      LEU  25   1.681  -1.912   1.164
  160    HB3  LEU  25           2HB      LEU  25   1.261  -3.489   0.497
  161    HG   LEU  25           HG       LEU  25  -0.751  -2.516  -0.589
  162   HD11  LEU  25          1HD1      LEU  25  -0.966  -0.058  -0.740
  163   HD12  LEU  25          2HD1      LEU  25   0.325   0.144   0.460
  164   HD13  LEU  25          3HD1      LEU  25  -1.224  -0.613   0.910
  165   HD21  LEU  25          3HD2      LEU  25   1.782  -0.989  -1.216
  166   HD22  LEU  25          1HD2      LEU  25   0.421  -1.307  -2.314
  167   HD23  LEU  25          2HD2      LEU  25   1.434  -2.648  -1.757
  168    H    LYS  26           H        LYS  26  -0.100  -5.439   1.773
  169    HA   LYS  26           HA       LYS  26  -2.520  -5.665   0.346
  170    HB2  LYS  26           1HB      LYS  26  -0.607  -7.369   0.613
  171    HB3  LYS  26           2HB      LYS  26  -1.359  -7.843   2.133
  172    HG2  LYS  26           1HG      LYS  26  -2.001  -9.375   0.374
  173    HG3  LYS  26           2HG      LYS  26  -3.437  -8.470   0.870
  174    HD2  LYS  26           1HD      LYS  26  -3.311  -7.067  -1.137
  175    HD3  LYS  26           2HD      LYS  26  -1.713  -7.708  -1.530
  176    HE2  LYS  26           1HE      LYS  26  -3.301  -8.693  -3.013
  177    HE3  LYS  26           2HE      LYS  26  -2.697  -9.949  -1.932
  178    HZ1  LYS  26           3HZ      LYS  26  -5.151  -9.953  -2.296
  179    HZ2  LYS  26           1HZ      LYS  26  -5.275  -8.528  -1.523
  180    HZ3  LYS  26           2HZ      LYS  26  -4.754  -9.857  -0.707
  181    H    ARG  27           H        ARG  27  -2.075  -5.604   3.848
  182    HA   ARG  27           HA       ARG  27  -4.820  -6.279   4.547
  183    HB2  ARG  27           1HB      ARG  27  -2.682  -4.728   6.073
  184    HB3  ARG  27           2HB      ARG  27  -4.241  -5.210   6.739
  185    HG2  ARG  27           1HG      ARG  27  -3.704  -7.585   6.426
  186    HG3  ARG  27           2HG      ARG  27  -2.140  -7.162   5.700
  187    HD2  ARG  27           1HD      ARG  27  -1.447  -6.042   7.795
  188    HD3  ARG  27           2HD      ARG  27  -3.024  -6.369   8.507
  189    HE   ARG  27           HE       ARG  27  -2.397  -8.530   8.983
  190   HH11  ARG  27          2HH1      ARG  27  -0.077  -7.427   6.576
  191   HH12  ARG  27          1HH1      ARG  27   1.084  -8.637   7.032
  192   HH21  ARG  27          2HH2      ARG  27  -0.889 -10.118   9.405
  193   HH22  ARG  27          1HH2      ARG  27   0.613 -10.134   8.525
  194    H    HIS  28           H        HIS  28  -3.282  -3.201   3.623
  195    HA   HIS  28           HA       HIS  28  -5.646  -1.578   4.180
  196    HB2  HIS  28           1HB      HIS  28  -3.647  -0.362   3.993
  197    HB3  HIS  28           2HB      HIS  28  -3.137  -1.181   2.532
  198    HD1  HIS  28           1HD      HIS  28  -5.261   1.758   3.620
  199    HD2  HIS  28           2HD      HIS  28  -4.221  -0.407   0.174
  200    HE1  HIS  28           1HE      HIS  28  -6.047   3.164   1.661
  201    H    VAL  29           H        VAL  29  -4.401  -3.251   1.239
  202    HA   VAL  29           HA       VAL  29  -6.563  -2.497  -0.458
  203    HB   VAL  29           HB       VAL  29  -4.820  -4.985  -0.609
  204   HG11  VAL  29          1HG1      VAL  29  -6.814  -5.254  -2.038
  205   HG12  VAL  29          2HG1      VAL  29  -6.539  -3.648  -2.746
  206   HG13  VAL  29          3HG1      VAL  29  -5.382  -4.969  -3.025
  207   HG21  VAL  29          3HG2      VAL  29  -3.503  -2.876  -0.700
  208   HG22  VAL  29          1HG2      VAL  29  -3.526  -3.678  -2.267
  209   HG23  VAL  29          2HG2      VAL  29  -4.563  -2.264  -1.980
  210    H    ILE  30           H        ILE  30  -6.237  -5.415   1.590
  211    HA   ILE  30           HA       ILE  30  -8.715  -6.640   0.969
  212    HB   ILE  30           HB       ILE  30  -6.940  -6.655   3.429
  213   HG12  ILE  30          1HG1      ILE  30  -7.525  -8.879   1.426
  214   HG13  ILE  30          2HG1      ILE  30  -6.248  -7.707   1.160
  215   HG21  ILE  30          1HG2      ILE  30  -9.170  -7.199   4.293
  216   HG22  ILE  30          2HG2      ILE  30  -9.417  -8.381   2.988
  217   HG23  ILE  30          3HG2      ILE  30  -8.197  -8.652   4.248
  218   HD11  ILE  30          3HD1      ILE  30  -5.164  -8.405   3.308
  219   HD12  ILE  30          1HD1      ILE  30  -6.389  -9.686   3.470
  220   HD13  ILE  30          2HD1      ILE  30  -5.275  -9.698   2.100
  221    H    GLN  31           H        GLN  31  -8.040  -4.088   3.403
  222    HA   GLN  31           HA       GLN  31 -10.796  -4.203   4.408
  223    HB2  GLN  31           1HB      GLN  31  -8.372  -2.520   5.110
  224    HB3  GLN  31           2HB      GLN  31  -9.946  -2.329   5.891
  225    HG2  GLN  31           1HG      GLN  31  -9.924  -4.632   6.694
  226    HG3  GLN  31           2HG      GLN  31  -8.418  -4.967   5.836
  227   HE21  GLN  31          1HE2      GLN  31  -6.486  -3.686   6.480
  228   HE22  GLN  31          2HE2      GLN  31  -6.349  -3.189   8.177
  229    H    LYS  32           H        LYS  32  -9.004  -2.017   2.248
  230    HA   LYS  32           HA       LYS  32 -11.260  -0.059   2.323
  231    HB2  LYS  32           1HB      LYS  32  -8.415   0.246   1.294
  232    HB3  LYS  32           2HB      LYS  32  -9.615   1.523   1.423
  233    HG2  LYS  32           1HG      LYS  32  -8.353   0.013   3.754
  234    HG3  LYS  32           2HG      LYS  32  -8.010   1.664   3.240
  235    HD2  LYS  32           1HD      LYS  32 -10.369   2.308   3.755
  236    HD3  LYS  32           2HD      LYS  32 -10.657   0.667   4.378
  237    HE2  LYS  32           1HE      LYS  32  -8.840   0.971   6.036
  238    HE3  LYS  32           2HE      LYS  32  -8.547   2.603   5.422
  239    HZ1  LYS  32           3HZ      LYS  32 -10.809   3.199   6.102
  240    HZ2  LYS  32           1HZ      LYS  32  -9.973   2.642   7.386
  241    HZ3  LYS  32           2HZ      LYS  32 -11.088   1.692   6.670
  242    H    HIS  33           H        HIS  33  -9.993  -2.383   0.085
  243    HA   HIS  33           HA       HIS  33 -11.560  -1.101  -2.118
  244    HB2  HIS  33           1HB      HIS  33  -8.823  -2.371  -2.406
  245    HB3  HIS  33           2HB      HIS  33  -9.781  -1.610  -3.674
  246    HD1  HIS  33           1HD      HIS  33 -10.471   1.177  -2.621
  247    HD2  HIS  33           2HD      HIS  33  -6.878  -0.811  -1.754
  248    HE1  HIS  33           1HE      HIS  33  -8.834   2.987  -1.935
  249    H    SER  34           H        SER  34 -12.028  -2.542  -3.955
  250    HA   SER  34           HA       SER  34 -13.247  -4.998  -2.906
  251    HB2  SER  34           1HB      SER  34 -14.513  -4.923  -5.038
  252    HB3  SER  34           2HB      SER  34 -14.642  -3.435  -4.087
  253    HG   SER  34           HG       SER  34 -14.223  -3.018  -6.320
  254    H    ASN  35           H        ASN  35 -10.414  -4.327  -4.780
  255    HA   ASN  35           HA       ASN  35 -10.478  -6.774  -6.352
  256    HB2  ASN  35           1HB      ASN  35  -8.279  -6.059  -7.140
  257    HB3  ASN  35           2HB      ASN  35  -9.462  -4.765  -7.258
  258   HD21  ASN  35          1HD2      ASN  35  -6.290  -5.417  -6.349
  259   HD22  ASN  35          2HD2      ASN  35  -6.088  -3.988  -5.338
  260    H    ILE  36           H        ILE  36  -9.552  -8.686  -6.005
  261    HA   ILE  36           HA       ILE  36  -8.492  -9.311  -3.341
  262    HB   ILE  36           HB       ILE  36  -8.529 -11.635  -4.083
  263   HG12  ILE  36          1HG1      ILE  36  -9.595 -10.609  -6.757
  264   HG13  ILE  36          2HG1      ILE  36  -7.978 -11.266  -6.494
  265   HG21  ILE  36          1HG2      ILE  36 -10.527 -10.494  -3.103
  266   HG22  ILE  36          2HG2      ILE  36 -11.141 -10.210  -4.746
  267   HG23  ILE  36          3HG2      ILE  36 -10.939 -11.864  -4.135
  268   HD11  ILE  36          3HD1      ILE  36  -9.353 -12.978  -7.467
  269   HD12  ILE  36          1HD1      ILE  36  -8.995 -13.440  -5.790
  270   HD13  ILE  36          2HD1      ILE  36 -10.597 -12.787  -6.224
  271    H    LEU  37           H        LEU  37  -7.099  -8.435  -6.301
  272    HA   LEU  37           HA       LEU  37  -4.371  -9.332  -5.542
  273    HB2  LEU  37           1HB      LEU  37  -5.241 -10.826  -7.274
  274    HB3  LEU  37           2HB      LEU  37  -5.851  -9.456  -8.202
  275    HG   LEU  37           HG       LEU  37  -3.555  -8.694  -8.640
  276   HD11  LEU  37          1HD1      LEU  37  -2.746 -11.307  -7.280
  277   HD12  LEU  37          2HD1      LEU  37  -2.369  -9.666  -6.705
  278   HD13  LEU  37          3HD1      LEU  37  -1.659 -10.253  -8.214
  279   HD21  LEU  37          3HD2      LEU  37  -4.102 -11.594  -9.401
  280   HD22  LEU  37          1HD2      LEU  37  -2.995 -10.485 -10.240
  281   HD23  LEU  37          2HD2      LEU  37  -4.734 -10.154 -10.232
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1  22.357  10.697 -13.014
    2    H2   GLY   1           2H       GLY   1  23.303   9.358 -13.001
    3    H3   GLY   1           3H       GLY   1  22.111   9.526 -11.890
    4    HA2  GLY   1           1HA      GLY   1  20.421   9.412 -13.607
    5    HA3  GLY   1           2HA      GLY   1  21.718   9.210 -14.800
    6    H    SER   2           H        SER   2  19.560   7.369 -14.327
    7    HA   SER   2           HA       SER   2  19.007   5.228 -13.830
    8    HB2  SER   2           1HB      SER   2  21.932   4.660 -14.394
    9    HB3  SER   2           2HB      SER   2  20.605   3.485 -14.414
   10    HG   SER   2           HG       SER   2  21.108   4.293 -16.515
   11    H    SER   3           H        SER   3  19.319   6.716 -11.577
   12    HA   SER   3           HA       SER   3  20.304   4.841  -9.487
   13    HB2  SER   3           1HB      SER   3  21.414   6.801  -8.379
   14    HB3  SER   3           2HB      SER   3  22.153   6.298  -9.901
   15    HG   SER   3           HG       SER   3  20.483   8.561  -9.437
   16    H    GLY   4           H        GLY   4  19.504   5.251  -7.353
   17    HA2  GLY   4           1HA      GLY   4  17.961   5.888  -5.746
   18    HA3  GLY   4           2HA      GLY   4  17.482   7.233  -6.773
   19    H    SER   5           H        SER   5  15.307   6.969  -6.304
   20    HA   SER   5           HA       SER   5  13.183   6.219  -6.396
   21    HB2  SER   5           1HB      SER   5  14.079   4.994  -9.018
   22    HB3  SER   5           2HB      SER   5  12.406   5.327  -8.531
   23    HG   SER   5           HG       SER   5  13.299   7.014  -9.821
   24    H    SER   6           H        SER   6  14.728   4.585  -4.739
   25    HA   SER   6           HA       SER   6  13.084   2.116  -4.722
   26    HB2  SER   6           1HB      SER   6  15.028   0.722  -4.214
   27    HB3  SER   6           2HB      SER   6  15.167   1.470  -5.813
   28    HG   SER   6           HG       SER   6  17.127   1.608  -4.622
   29    H    GLY   7           H        GLY   7  13.012   1.026  -2.656
   30    HA2  GLY   7           1HA      GLY   7  14.108   1.813  -0.218
   31    HA3  GLY   7           2HA      GLY   7  12.682   2.830  -0.430
   32    H    HIS   8           H        HIS   8  12.368   1.484   1.681
   33    HA   HIS   8           HA       HIS   8  11.263  -1.203   1.273
   34    HB2  HIS   8           1HB      HIS   8  11.451   0.488   3.789
   35    HB3  HIS   8           2HB      HIS   8  11.067  -1.232   3.714
   36    HD1  HIS   8           1HD      HIS   8  13.959   0.881   4.377
   37    HD2  HIS   8           2HD      HIS   8  13.209  -2.714   2.318
   38    HE1  HIS   8           1HE      HIS   8  16.210  -0.292   4.146
   39    H    LEU   9           H        LEU   9   9.951   1.784   0.870
   40    HA   LEU   9           HA       LEU   9   7.227   1.251   1.860
   41    HB2  LEU   9           1HB      LEU   9   8.469   3.513   0.257
   42    HB3  LEU   9           2HB      LEU   9   6.746   3.414   0.588
   43    HG   LEU   9           HG       LEU   9   8.854   3.526   2.779
   44   HD11  LEU   9          1HD1      LEU   9   8.870   5.588   1.428
   45   HD12  LEU   9          2HD1      LEU   9   8.186   5.883   3.035
   46   HD13  LEU   9          3HD1      LEU   9   7.111   5.742   1.625
   47   HD21  LEU   9          3HD2      LEU   9   6.701   2.564   3.526
   48   HD22  LEU   9          1HD2      LEU   9   5.823   3.935   2.821
   49   HD23  LEU   9          2HD2      LEU   9   6.918   4.179   4.200
   50    H    TYR  10           H        TYR  10   5.505   0.682   0.713
   51    HA   TYR  10           HA       TYR  10   5.687   0.267  -2.239
   52    HB2  TYR  10           1HB      TYR  10   4.456  -1.558  -0.142
   53    HB3  TYR  10           2HB      TYR  10   4.081  -1.645  -1.853
   54    HD1  TYR  10           1HD      TYR  10   6.960  -1.893   0.545
   55    HD2  TYR  10           2HD      TYR  10   5.385  -2.925  -3.335
   56    HE1  TYR  10           1HE      TYR  10   8.827  -3.512   0.219
   57    HE2  TYR  10           2HE      TYR  10   7.247  -4.548  -3.655
   58    HH   TYR  10           HH       TYR  10   9.777  -5.068  -1.173
   59    H    TYR  11           H        TYR  11   4.100   1.227  -3.338
   60    HA   TYR  11           HA       TYR  11   2.034   2.760  -1.899
   61    HB2  TYR  11           1HB      TYR  11   2.959   2.745  -4.786
   62    HB3  TYR  11           2HB      TYR  11   1.592   3.679  -4.206
   63    HD1  TYR  11           1HD      TYR  11   5.299   3.295  -3.922
   64    HD2  TYR  11           2HD      TYR  11   1.855   5.727  -2.990
   65    HE1  TYR  11           1HE      TYR  11   6.799   5.147  -3.217
   66    HE2  TYR  11           2HE      TYR  11   3.364   7.592  -2.308
   67    HH   TYR  11           HH       TYR  11   6.937   7.294  -2.426
   68    H    CYS  12           H        CYS  12  -0.136   2.600  -2.218
   69    HA   CYS  12           HA       CYS  12  -1.367   0.095  -2.525
   70    HB2  CYS  12           1HB      CYS  12  -2.231   1.988  -1.264
   71    HB3  CYS  12           2HB      CYS  12  -2.431   2.930  -2.752
   72    H    SER  13           H        SER  13  -2.543  -0.875  -4.090
   73    HA   SER  13           HA       SER  13  -1.858  -0.405  -6.881
   74    HB2  SER  13           1HB      SER  13  -3.881  -2.309  -5.638
   75    HB3  SER  13           2HB      SER  13  -3.293  -2.349  -7.312
   76    HG   SER  13           HG       SER  13  -2.154  -3.828  -5.994
   77    H    GLN  14           H        GLN  14  -4.328   0.868  -4.843
   78    HA   GLN  14           HA       GLN  14  -6.029   1.613  -7.202
   79    HB2  GLN  14           1HB      GLN  14  -6.938   0.486  -4.532
   80    HB3  GLN  14           2HB      GLN  14  -8.008   1.134  -5.779
   81    HG2  GLN  14           1HG      GLN  14  -7.109  -0.593  -7.381
   82    HG3  GLN  14           2HG      GLN  14  -6.186  -1.300  -6.051
   83   HE21  GLN  14          1HE2      GLN  14  -9.551  -0.563  -7.107
   84   HE22  GLN  14          2HE2      GLN  14 -10.248  -1.897  -6.202
   85    H    CYS  15           H        CYS  15  -4.395   2.902  -4.476
   86    HA   CYS  15           HA       CYS  15  -5.540   5.516  -5.119
   87    HB2  CYS  15           1HB      CYS  15  -6.243   6.146  -2.959
   88    HB3  CYS  15           2HB      CYS  15  -7.011   4.607  -3.305
   89    H    HIS  16           H        HIS  16  -4.403   6.991  -3.068
   90    HA   HIS  16           HA       HIS  16  -1.589   7.033  -3.961
   91    HB2  HIS  16           1HB      HIS  16  -1.566   9.303  -3.158
   92    HB3  HIS  16           2HB      HIS  16  -2.976   9.049  -4.172
   93    HD1  HIS  16           1HD      HIS  16  -2.077   9.514  -0.440
   94    HD2  HIS  16           2HD      HIS  16  -5.365   9.483  -3.068
   95    HE1  HIS  16           1HE      HIS  16  -4.078  10.345   0.909
   96    H    TYR  17           H        TYR  17  -3.084   5.537  -1.387
   97    HA   TYR  17           HA       TYR  17  -1.429   6.241   0.837
   98    HB2  TYR  17           1HB      TYR  17  -3.571   5.088   1.039
   99    HB3  TYR  17           2HB      TYR  17  -2.939   3.700   0.167
  100    HD1  TYR  17           1HD      TYR  17  -2.514   5.689   3.317
  101    HD2  TYR  17           2HD      TYR  17  -1.869   1.923   1.309
  102    HE1  TYR  17           1HE      TYR  17  -1.801   4.659   5.469
  103    HE2  TYR  17           2HE      TYR  17  -1.176   0.893   3.471
  104    HH   TYR  17           HH       TYR  17  -1.089   2.755   6.529
  105    H    SER  18           H        SER  18   0.265   5.032   1.863
  106    HA   SER  18           HA       SER  18   1.758   3.031   0.324
  107    HB2  SER  18           1HB      SER  18   2.643   5.245  -0.440
  108    HB3  SER  18           2HB      SER  18   3.116   5.600   1.230
  109    HG   SER  18           HG       SER  18   4.778   4.661  -0.154
  110    H    SER  19           H        SER  19   3.014   1.697   1.594
  111    HA   SER  19           HA       SER  19   3.374   2.273   4.472
  112    HB2  SER  19           1HB      SER  19   1.143   1.135   4.213
  113    HB3  SER  19           2HB      SER  19   1.999  -0.290   3.591
  114    HG   SER  19           HG       SER  19   1.557  -0.247   5.927
  115    H    ILE  20           H        ILE  20   4.822   0.750   5.542
  116    HA   ILE  20           HA       ILE  20   7.083  -0.063   3.870
  117    HB   ILE  20           HB       ILE  20   6.492  -0.441   6.824
  118   HG12  ILE  20          1HG1      ILE  20   6.915   1.921   6.104
  119   HG13  ILE  20          2HG1      ILE  20   8.055   1.292   7.275
  120   HG21  ILE  20          1HG2      ILE  20   8.992  -1.187   5.253
  121   HG22  ILE  20          2HG2      ILE  20   8.933  -1.035   7.024
  122   HG23  ILE  20          3HG2      ILE  20   7.951  -2.256   6.217
  123   HD11  ILE  20          3HD1      ILE  20   9.107   2.689   5.494
  124   HD12  ILE  20          1HD1      ILE  20   9.796   1.064   5.600
  125   HD13  ILE  20          2HD1      ILE  20   8.663   1.465   4.292
  126    H    THR  21           H        THR  21   7.457  -1.948   3.033
  127    HA   THR  21           HA       THR  21   7.117  -3.850   2.016
  128    HB   THR  21           HB       THR  21   8.025  -4.856   3.915
  129    HG1  THR  21           1HG      THR  21   7.351  -6.871   3.410
  130   HG21  THR  21          3HG2      THR  21   5.192  -5.239   4.955
  131   HG22  THR  21          1HG2      THR  21   6.538  -4.402   5.763
  132   HG23  THR  21          2HG2      THR  21   6.610  -6.147   5.526
  133    H    LYS  22           H        LYS  22   5.921  -4.846   0.653
  134    HA   LYS  22           HA       LYS  22   3.164  -4.394   0.215
  135    HB2  LYS  22           1HB      LYS  22   3.329  -6.288  -1.372
  136    HB3  LYS  22           2HB      LYS  22   4.583  -5.073  -1.565
  137    HG2  LYS  22           1HG      LYS  22   6.192  -6.547  -0.336
  138    HG3  LYS  22           2HG      LYS  22   4.933  -7.791  -0.220
  139    HD2  LYS  22           1HD      LYS  22   4.801  -7.911  -2.675
  140    HD3  LYS  22           2HD      LYS  22   6.001  -6.629  -2.839
  141    HE2  LYS  22           1HE      LYS  22   6.486  -9.355  -1.550
  142    HE3  LYS  22           2HE      LYS  22   6.915  -8.916  -3.204
  143    HZ1  LYS  22           3HZ      LYS  22   8.838  -8.663  -1.817
  144    HZ2  LYS  22           1HZ      LYS  22   8.062  -7.712  -0.747
  145    HZ3  LYS  22           2HZ      LYS  22   8.376  -7.157  -2.252
  146    H    ASN  23           H        ASN  23   4.704  -6.793   2.279
  147    HA   ASN  23           HA       ASN  23   2.466  -8.559   2.596
  148    HB2  ASN  23           1HB      ASN  23   4.825  -9.101   3.157
  149    HB3  ASN  23           2HB      ASN  23   4.791  -7.928   4.474
  150   HD21  ASN  23          2HD2      ASN  23   4.159  -8.720   6.494
  151   HD22  ASN  23          1HD2      ASN  23   3.342 -10.258   6.706
  152    H    CYS  24           H        CYS  24   3.249  -5.472   4.182
  153    HA   CYS  24           HA       CYS  24   0.954  -5.735   6.059
  154    HB2  CYS  24           1HB      CYS  24   3.130  -3.640   5.708
  155    HB3  CYS  24           2HB      CYS  24   1.800  -3.500   6.861
  156    HG   CYS  24           HG       CYS  24   4.059  -5.919   6.617
  157    H    LEU  25           H        LEU  25   1.919  -3.853   3.165
  158    HA   LEU  25           HA       LEU  25  -0.243  -2.124   2.980
  159    HB2  LEU  25           1HB      LEU  25   1.807  -2.049   1.586
  160    HB3  LEU  25           2HB      LEU  25   1.309  -3.550   0.802
  161    HG   LEU  25           HG       LEU  25  -0.709  -2.378  -0.132
  162   HD11  LEU  25          1HD1      LEU  25  -0.683   0.095  -0.185
  163   HD12  LEU  25          2HD1      LEU  25   0.688   0.112   0.946
  164   HD13  LEU  25          3HD1      LEU  25  -0.901  -0.511   1.460
  165   HD21  LEU  25          3HD2      LEU  25   1.955  -1.151  -0.849
  166   HD22  LEU  25          1HD2      LEU  25   0.503  -1.247  -1.870
  167   HD23  LEU  25          2HD2      LEU  25   1.359  -2.725  -1.418
  168    H    LYS  26           H        LYS  26  -0.075  -5.535   1.901
  169    HA   LYS  26           HA       LYS  26  -2.330  -5.738   0.303
  170    HB2  LYS  26           1HB      LYS  26  -0.614  -7.499   0.811
  171    HB3  LYS  26           2HB      LYS  26  -1.410  -7.795   2.363
  172    HG2  LYS  26           1HG      LYS  26  -3.487  -8.443   1.148
  173    HG3  LYS  26           2HG      LYS  26  -2.682  -8.116  -0.397
  174    HD2  LYS  26           1HD      LYS  26  -1.001  -9.875   0.114
  175    HD3  LYS  26           2HD      LYS  26  -1.810 -10.195   1.664
  176    HE2  LYS  26           1HE      LYS  26  -3.894 -10.795   0.447
  177    HE3  LYS  26           2HE      LYS  26  -3.088 -10.478  -1.095
  178    HZ1  LYS  26           3HZ      LYS  26  -1.527 -12.279  -0.571
  179    HZ2  LYS  26           1HZ      LYS  26  -3.057 -12.844  -0.547
  180    HZ3  LYS  26           2HZ      LYS  26  -2.271 -12.571   0.855
  181    H    ARG  27           H        ARG  27  -2.335  -5.630   3.829
  182    HA   ARG  27           HA       ARG  27  -5.085  -6.296   4.325
  183    HB2  ARG  27           1HB      ARG  27  -3.297  -4.394   5.900
  184    HB3  ARG  27           2HB      ARG  27  -4.705  -5.253   6.517
  185    HG2  ARG  27           1HG      ARG  27  -3.557  -7.410   6.311
  186    HG3  ARG  27           2HG      ARG  27  -2.143  -6.642   5.576
  187    HD2  ARG  27           1HD      ARG  27  -3.166  -6.135   8.390
  188    HD3  ARG  27           2HD      ARG  27  -1.754  -7.114   7.945
  189    HE   ARG  27           HE       ARG  27  -1.354  -4.574   6.789
  190   HH11  ARG  27          2HH1      ARG  27  -1.466  -5.879  10.040
  191   HH12  ARG  27          1HH1      ARG  27  -0.592  -4.529  10.710
  192   HH21  ARG  27          2HH2      ARG  27  -0.378  -2.826   7.726
  193   HH22  ARG  27          1HH2      ARG  27   0.045  -2.862   9.414
  194    H    HIS  28           H        HIS  28  -3.548  -3.151   3.597
  195    HA   HIS  28           HA       HIS  28  -5.924  -1.534   3.954
  196    HB2  HIS  28           1HB      HIS  28  -3.821  -0.420   3.987
  197    HB3  HIS  28           2HB      HIS  28  -3.295  -1.150   2.481
  198    HD1  HIS  28           1HD      HIS  28  -5.253   1.843   3.703
  199    HD2  HIS  28           2HD      HIS  28  -4.278  -0.196   0.165
  200    HE1  HIS  28           1HE      HIS  28  -5.941   3.383   1.809
  201    H    VAL  29           H        VAL  29  -4.498  -3.209   1.107
  202    HA   VAL  29           HA       VAL  29  -6.528  -2.278  -0.710
  203    HB   VAL  29           HB       VAL  29  -4.776  -4.738  -1.040
  204   HG11  VAL  29          1HG1      VAL  29  -6.592  -4.590  -2.704
  205   HG12  VAL  29          2HG1      VAL  29  -6.167  -2.907  -3.060
  206   HG13  VAL  29          3HG1      VAL  29  -5.048  -4.227  -3.467
  207   HG21  VAL  29          3HG2      VAL  29  -3.253  -3.217  -2.300
  208   HG22  VAL  29          1HG2      VAL  29  -4.241  -1.827  -1.801
  209   HG23  VAL  29          2HG2      VAL  29  -3.339  -2.775  -0.597
  210    H    ILE  30           H        ILE  30  -6.317  -5.217   1.291
  211    HA   ILE  30           HA       ILE  30  -8.770  -6.429   0.412
  212    HB   ILE  30           HB       ILE  30  -7.197  -6.594   3.008
  213   HG12  ILE  30          1HG1      ILE  30  -7.562  -8.681   0.825
  214   HG13  ILE  30          2HG1      ILE  30  -6.246  -7.527   0.790
  215   HG21  ILE  30          1HG2      ILE  30  -8.560  -8.618   3.565
  216   HG22  ILE  30          2HG2      ILE  30  -9.522  -7.160   3.580
  217   HG23  ILE  30          3HG2      ILE  30  -9.620  -8.261   2.186
  218   HD11  ILE  30          3HD1      ILE  30  -5.457  -9.619   1.710
  219   HD12  ILE  30          1HD1      ILE  30  -5.427  -8.383   2.985
  220   HD13  ILE  30          2HD1      ILE  30  -6.704  -9.623   2.955
  221    H    GLN  31           H        GLN  31  -8.142  -4.122   3.116
  222    HA   GLN  31           HA       GLN  31 -10.925  -4.239   3.933
  223    HB2  GLN  31           1HB      GLN  31  -8.932  -4.110   5.460
  224    HB3  GLN  31           2HB      GLN  31  -8.716  -2.425   4.962
  225    HG2  GLN  31           1HG      GLN  31 -11.086  -1.971   5.775
  226    HG3  GLN  31           2HG      GLN  31 -11.150  -3.636   6.361
  227   HE21  GLN  31          1HE2      GLN  31  -9.438  -4.232   8.074
  228   HE22  GLN  31          2HE2      GLN  31  -8.929  -2.931   9.142
  229    H    LYS  32           H        LYS  32  -8.914  -1.646   2.443
  230    HA   LYS  32           HA       LYS  32 -11.139   0.281   2.652
  231    HB2  LYS  32           1HB      LYS  32  -8.391   0.676   1.417
  232    HB3  LYS  32           2HB      LYS  32  -9.541   1.920   1.882
  233    HG2  LYS  32           1HG      LYS  32  -7.917   0.130   3.724
  234    HG3  LYS  32           2HG      LYS  32  -7.797   1.874   3.494
  235    HD2  LYS  32           1HD      LYS  32 -10.122   2.103   4.461
  236    HD3  LYS  32           2HD      LYS  32 -10.059   0.368   4.855
  237    HE2  LYS  32           1HE      LYS  32  -7.877   0.838   6.094
  238    HE3  LYS  32           2HE      LYS  32  -8.176   2.561   5.832
  239    HZ1  LYS  32           3HZ      LYS  32 -10.328   2.213   7.052
  240    HZ2  LYS  32           1HZ      LYS  32  -9.010   1.947   7.980
  241    HZ3  LYS  32           2HZ      LYS  32  -9.844   0.676   7.401
  242    H    HIS  33           H        HIS  33  -9.909  -1.806   0.178
  243    HA   HIS  33           HA       HIS  33 -11.641  -0.456  -1.858
  244    HB2  HIS  33           1HB      HIS  33  -9.023  -1.900  -2.372
  245    HB3  HIS  33           2HB      HIS  33 -10.016  -1.029  -3.542
  246    HD1  HIS  33           1HD      HIS  33 -10.399   1.765  -2.417
  247    HD2  HIS  33           2HD      HIS  33  -6.920  -0.513  -1.824
  248    HE1  HIS  33           1HE      HIS  33  -8.574   3.430  -1.841
  249    H    SER  34           H        SER  34 -12.099  -1.993  -3.747
  250    HA   SER  34           HA       SER  34 -13.786  -4.023  -2.690
  251    HB2  SER  34           1HB      SER  34 -13.139  -3.468  -5.601
  252    HB3  SER  34           2HB      SER  34 -14.595  -4.250  -4.963
  253    HG   SER  34           HG       SER  34 -15.181  -2.295  -3.984
  254    H    ASN  35           H        ASN  35 -10.672  -4.605  -2.768
  255    HA   ASN  35           HA       ASN  35 -10.509  -7.008  -4.415
  256    HB2  ASN  35           1HB      ASN  35  -8.703  -5.213  -4.033
  257    HB3  ASN  35           2HB      ASN  35  -8.427  -5.984  -2.470
  258   HD21  ASN  35          1HD2      ASN  35  -8.015  -8.450  -2.638
  259   HD22  ASN  35          2HD2      ASN  35  -6.997  -8.953  -3.992
  260    H    ILE  36           H        ILE  36 -12.541  -7.549  -2.851
  261    HA   ILE  36           HA       ILE  36 -11.712  -9.159  -0.520
  262    HB   ILE  36           HB       ILE  36 -13.639  -7.590  -0.468
  263   HG12  ILE  36          1HG1      ILE  36 -14.459 -10.464   0.077
  264   HG13  ILE  36          2HG1      ILE  36 -13.354  -9.531   1.092
  265   HG21  ILE  36          1HG2      ILE  36 -15.096  -9.624  -2.219
  266   HG22  ILE  36          2HG2      ILE  36 -15.757  -8.128  -1.537
  267   HG23  ILE  36          3HG2      ILE  36 -14.520  -8.041  -2.782
  268   HD11  ILE  36          3HD1      ILE  36 -15.560  -9.469   2.069
  269   HD12  ILE  36          1HD1      ILE  36 -15.164  -7.845   1.473
  270   HD13  ILE  36          2HD1      ILE  36 -16.285  -8.889   0.563
  271    H    LEU  37           H        LEU  37 -12.288  -9.646  -3.831
  272    HA   LEU  37           HA       LEU  37 -13.124 -12.455  -3.711
  273    HB2  LEU  37           1HB      LEU  37 -12.345 -10.702  -6.076
  274    HB3  LEU  37           2HB      LEU  37 -13.080 -12.295  -6.173
  275    HG   LEU  37           HG       LEU  37 -14.407  -9.794  -5.033
  276   HD11  LEU  37          1HD1      LEU  37 -14.906 -11.365  -7.595
  277   HD12  LEU  37          2HD1      LEU  37 -14.123  -9.772  -7.482
  278   HD13  LEU  37          3HD1      LEU  37 -15.826  -9.953  -7.030
  279   HD21  LEU  37          3HD2      LEU  37 -15.273 -11.793  -3.895
  280   HD22  LEU  37          1HD2      LEU  37 -15.514 -12.607  -5.460
  281   HD23  LEU  37          2HD2      LEU  37 -16.475 -11.173  -5.031
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  16.519  -3.742  13.178
    2    H2   GLY   1           2H       GLY   1  17.963  -4.016  13.896
    3    H3   GLY   1           3H       GLY   1  17.411  -5.048  12.750
    4    HA2  GLY   1           1HA      GLY   1  19.137  -3.666  11.820
    5    HA3  GLY   1           2HA      GLY   1  17.570  -3.351  11.053
    6    H    SER   2           H        SER   2  18.411  -1.261  10.439
    7    HA   SER   2           HA       SER   2  19.314   0.719  12.279
    8    HB2  SER   2           1HB      SER   2  18.020   1.075   9.550
    9    HB3  SER   2           2HB      SER   2  18.968   2.292  10.427
   10    HG   SER   2           HG       SER   2  20.235   1.150   8.881
   11    H    SER   3           H        SER   3  18.335   2.569  13.145
   12    HA   SER   3           HA       SER   3  15.533   2.363  13.909
   13    HB2  SER   3           1HB      SER   3  16.012   4.523  15.069
   14    HB3  SER   3           2HB      SER   3  17.107   3.200  15.505
   15    HG   SER   3           HG       SER   3  18.235   5.166  15.094
   16    H    GLY   4           H        GLY   4  17.378   4.415  11.661
   17    HA2  GLY   4           1HA      GLY   4  14.998   5.832  10.652
   18    HA3  GLY   4           2HA      GLY   4  16.646   5.967  10.049
   19    H    SER   5           H        SER   5  14.246   5.682   8.471
   20    HA   SER   5           HA       SER   5  14.155   2.986   7.358
   21    HB2  SER   5           1HB      SER   5  12.631   4.031   5.690
   22    HB3  SER   5           2HB      SER   5  12.132   4.257   7.374
   23    HG   SER   5           HG       SER   5  11.970   6.201   6.154
   24    H    SER   6           H        SER   6  14.691   2.392   5.233
   25    HA   SER   6           HA       SER   6  16.834   3.996   3.878
   26    HB2  SER   6           1HB      SER   6  18.055   1.908   3.511
   27    HB3  SER   6           2HB      SER   6  17.815   2.225   5.236
   28    HG   SER   6           HG       SER   6  17.352   0.041   4.677
   29    H    GLY   7           H        GLY   7  13.799   2.907   3.376
   30    HA2  GLY   7           1HA      GLY   7  13.263   3.213   0.762
   31    HA3  GLY   7           2HA      GLY   7  14.119   1.662   0.720
   32    H    HIS   8           H        HIS   8  12.778   0.002   0.761
   33    HA   HIS   8           HA       HIS   8  11.074  -1.404   1.134
   34    HB2  HIS   8           1HB      HIS   8  10.854  -1.997   3.511
   35    HB3  HIS   8           2HB      HIS   8  12.501  -1.802   2.938
   36    HD1  HIS   8           1HD      HIS   8   9.959   0.152   5.117
   37    HD2  HIS   8           2HD      HIS   8  14.051  -0.091   4.189
   38    HE1  HIS   8           1HE      HIS   8  11.148   1.734   6.726
   39    H    LEU   9           H        LEU   9   9.983   1.476   0.885
   40    HA   LEU   9           HA       LEU   9   7.250   1.076   1.939
   41    HB2  LEU   9           1HB      LEU   9   8.594   3.301   0.371
   42    HB3  LEU   9           2HB      LEU   9   6.860   3.276   0.663
   43    HG   LEU   9           HG       LEU   9   8.912   3.242   2.917
   44   HD11  LEU   9          1HD1      LEU   9   9.100   5.320   1.604
   45   HD12  LEU   9          2HD1      LEU   9   8.374   5.632   3.187
   46   HD13  LEU   9          3HD1      LEU   9   7.347   5.576   1.736
   47   HD21  LEU   9          3HD2      LEU   9   5.913   3.831   2.871
   48   HD22  LEU   9          1HD2      LEU   9   6.980   3.986   4.284
   49   HD23  LEU   9          2HD2      LEU   9   6.689   2.398   3.577
   50    H    TYR  10           H        TYR  10   5.515   0.533   0.821
   51    HA   TYR  10           HA       TYR  10   5.695  -0.008  -2.114
   52    HB2  TYR  10           1HB      TYR  10   4.400  -1.679   0.069
   53    HB3  TYR  10           2HB      TYR  10   4.072  -1.878  -1.645
   54    HD1  TYR  10           1HD      TYR  10   6.886  -1.951   0.843
   55    HD2  TYR  10           2HD      TYR  10   5.436  -3.241  -3.008
   56    HE1  TYR  10           1HE      TYR  10   8.850  -3.468   0.614
   57    HE2  TYR  10           2HE      TYR  10   7.389  -4.769  -3.227
   58    HH   TYR  10           HH       TYR  10   9.904  -5.036  -0.689
   59    H    TYR  11           H        TYR  11   3.934   0.578  -3.325
   60    HA   TYR  11           HA       TYR  11   2.087   2.529  -2.020
   61    HB2  TYR  11           1HB      TYR  11   3.352   2.505  -4.778
   62    HB3  TYR  11           2HB      TYR  11   2.131   3.646  -4.250
   63    HD1  TYR  11           1HD      TYR  11   5.624   2.462  -3.513
   64    HD2  TYR  11           2HD      TYR  11   2.712   5.619  -3.068
   65    HE1  TYR  11           1HE      TYR  11   7.370   3.930  -2.535
   66    HE2  TYR  11           2HE      TYR  11   4.474   7.098  -2.109
   67    HH   TYR  11           HH       TYR  11   7.858   5.998  -1.672
   68    H    CYS  12           H        CYS  12  -0.037   2.576  -2.479
   69    HA   CYS  12           HA       CYS  12  -1.337   0.164  -3.129
   70    HB2  CYS  12           1HB      CYS  12  -2.098   1.909  -1.576
   71    HB3  CYS  12           2HB      CYS  12  -2.390   3.003  -2.934
   72    H    SER  13           H        SER  13  -2.708  -0.440  -4.729
   73    HA   SER  13           HA       SER  13  -2.061   0.430  -7.475
   74    HB2  SER  13           1HB      SER  13  -3.850  -1.816  -6.473
   75    HB3  SER  13           2HB      SER  13  -3.373  -1.530  -8.157
   76    HG   SER  13           HG       SER  13  -2.044  -3.105  -7.147
   77    H    GLN  14           H        GLN  14  -4.492   1.186  -5.162
   78    HA   GLN  14           HA       GLN  14  -6.352   2.156  -7.316
   79    HB2  GLN  14           1HB      GLN  14  -7.077   0.766  -4.714
   80    HB3  GLN  14           2HB      GLN  14  -8.224   1.542  -5.811
   81    HG2  GLN  14           1HG      GLN  14  -7.447  -0.010  -7.647
   82    HG3  GLN  14           2HG      GLN  14  -6.448  -0.846  -6.458
   83   HE21  GLN  14          1HE2      GLN  14  -7.453  -2.824  -6.083
   84   HE22  GLN  14          2HE2      GLN  14  -9.171  -3.001  -5.756
   85    H    CYS  15           H        CYS  15  -4.524   3.189  -4.619
   86    HA   CYS  15           HA       CYS  15  -5.687   5.848  -4.911
   87    HB2  CYS  15           1HB      CYS  15  -6.204   6.248  -2.618
   88    HB3  CYS  15           2HB      CYS  15  -7.075   4.813  -3.127
   89    H    HIS  16           H        HIS  16  -4.414   7.218  -2.964
   90    HA   HIS  16           HA       HIS  16  -1.649   7.217  -3.953
   91    HB2  HIS  16           1HB      HIS  16  -3.191   9.228  -3.820
   92    HB3  HIS  16           2HB      HIS  16  -3.011   9.167  -2.067
   93    HD1  HIS  16           1HD      HIS  16  -0.816   9.692  -5.234
   94    HD2  HIS  16           2HD      HIS  16  -0.900  10.418  -1.089
   95    HE1  HIS  16           1HE      HIS  16   1.189  11.184  -4.732
   96    H    TYR  17           H        TYR  17  -3.056   5.585  -1.411
   97    HA   TYR  17           HA       TYR  17  -1.388   6.148   0.819
   98    HB2  TYR  17           1HB      TYR  17  -3.551   5.005   0.929
   99    HB3  TYR  17           2HB      TYR  17  -2.896   3.644   0.026
  100    HD1  TYR  17           1HD      TYR  17  -2.902   5.377   3.301
  101    HD2  TYR  17           2HD      TYR  17  -1.517   1.955   1.068
  102    HE1  TYR  17           1HE      TYR  17  -2.291   4.235   5.427
  103    HE2  TYR  17           2HE      TYR  17  -0.901   0.816   3.197
  104    HH   TYR  17           HH       TYR  17  -1.447   2.344   6.397
  105    H    SER  18           H        SER  18   0.342   5.054   1.764
  106    HA   SER  18           HA       SER  18   1.592   2.801   0.413
  107    HB2  SER  18           1HB      SER  18   3.854   3.738   0.406
  108    HB3  SER  18           2HB      SER  18   2.761   4.659  -0.637
  109    HG   SER  18           HG       SER  18   4.047   6.048   0.638
  110    H    SER  19           H        SER  19   2.947   1.552   1.711
  111    HA   SER  19           HA       SER  19   3.360   2.269   4.541
  112    HB2  SER  19           1HB      SER  19   2.357   0.181   5.372
  113    HB3  SER  19           2HB      SER  19   1.167   1.255   4.629
  114    HG   SER  19           HG       SER  19   0.900  -0.907   3.961
  115    H    ILE  20           H        ILE  20   4.684   0.616   5.705
  116    HA   ILE  20           HA       ILE  20   6.911  -0.184   4.019
  117    HB   ILE  20           HB       ILE  20   8.067  -0.866   5.963
  118   HG12  ILE  20          1HG1      ILE  20   6.476  -1.887   7.418
  119   HG13  ILE  20          2HG1      ILE  20   7.306  -0.594   8.248
  120   HG21  ILE  20          1HG2      ILE  20   8.105   1.487   5.327
  121   HG22  ILE  20          2HG2      ILE  20   6.732   1.833   6.389
  122   HG23  ILE  20          3HG2      ILE  20   8.274   1.300   7.078
  123   HD11  ILE  20          3HD1      ILE  20   5.271   0.868   7.952
  124   HD12  ILE  20          1HD1      ILE  20   4.428  -0.545   7.257
  125   HD13  ILE  20          2HD1      ILE  20   5.005  -0.587   8.925
  126    H    THR  21           H        THR  21   7.409  -2.060   3.234
  127    HA   THR  21           HA       THR  21   7.214  -4.102   2.364
  128    HB   THR  21           HB       THR  21   6.732  -6.038   3.544
  129    HG1  THR  21           1HG      THR  21   5.311  -4.365   5.297
  130   HG21  THR  21          3HG2      THR  21   7.998  -5.877   5.588
  131   HG22  THR  21          1HG2      THR  21   7.773  -4.118   5.665
  132   HG23  THR  21          2HG2      THR  21   8.752  -4.838   4.364
  133    H    LYS  22           H        LYS  22   5.986  -5.322   0.987
  134    HA   LYS  22           HA       LYS  22   3.338  -4.467   0.345
  135    HB2  LYS  22           1HB      LYS  22   3.283  -6.113  -1.311
  136    HB3  LYS  22           2HB      LYS  22   4.909  -5.474  -1.280
  137    HG2  LYS  22           1HG      LYS  22   4.036  -8.162  -0.128
  138    HG3  LYS  22           2HG      LYS  22   4.784  -7.885  -1.698
  139    HD2  LYS  22           1HD      LYS  22   6.831  -6.968  -0.506
  140    HD3  LYS  22           2HD      LYS  22   6.075  -7.453   1.021
  141    HE2  LYS  22           1HE      LYS  22   7.573  -9.190   0.470
  142    HE3  LYS  22           2HE      LYS  22   5.948  -9.813   0.177
  143    HZ1  LYS  22           3HZ      LYS  22   7.486 -10.359  -1.634
  144    HZ2  LYS  22           1HZ      LYS  22   7.796  -8.785  -1.921
  145    HZ3  LYS  22           2HZ      LYS  22   6.304  -9.396  -2.208
  146    H    ASN  23           H        ASN  23   4.352  -6.743   2.746
  147    HA   ASN  23           HA       ASN  23   1.894  -8.233   2.983
  148    HB2  ASN  23           1HB      ASN  23   4.054  -9.014   3.871
  149    HB3  ASN  23           2HB      ASN  23   4.126  -7.646   4.982
  150   HD21  ASN  23          1HD2      ASN  23   3.190  -7.917   7.009
  151   HD22  ASN  23          2HD2      ASN  23   2.143  -9.270   7.406
  152    H    CYS  24           H        CYS  24   3.016  -5.150   4.462
  153    HA   CYS  24           HA       CYS  24   0.600  -4.783   6.048
  154    HB2  CYS  24           1HB      CYS  24   2.859  -3.722   6.489
  155    HB3  CYS  24           2HB      CYS  24   2.590  -2.696   5.067
  156    HG   CYS  24           HG       CYS  24   0.711  -3.018   7.798
  157    H    LEU  25           H        LEU  25   1.706  -3.548   2.842
  158    HA   LEU  25           HA       LEU  25  -0.544  -2.049   2.249
  159    HB2  LEU  25           1HB      LEU  25   1.636  -2.029   1.027
  160    HB3  LEU  25           2HB      LEU  25   1.216  -3.590   0.313
  161    HG   LEU  25           HG       LEU  25  -0.791  -2.524  -0.766
  162   HD11  LEU  25          1HD1      LEU  25  -1.146  -0.598   0.728
  163   HD12  LEU  25          2HD1      LEU  25  -0.842  -0.041  -0.912
  164   HD13  LEU  25          3HD1      LEU  25   0.454   0.055   0.299
  165   HD21  LEU  25          3HD2      LEU  25   1.824  -1.147  -1.422
  166   HD22  LEU  25          1HD2      LEU  25   0.440  -1.421  -2.503
  167   HD23  LEU  25          2HD2      LEU  25   1.390  -2.796  -1.931
  168    H    LYS  26           H        LYS  26  -0.064  -5.554   1.670
  169    HA   LYS  26           HA       LYS  26  -2.424  -6.134   0.243
  170    HB2  LYS  26           1HB      LYS  26  -0.555  -7.703   0.695
  171    HB3  LYS  26           2HB      LYS  26  -1.051  -7.816   2.389
  172    HG2  LYS  26           1HG      LYS  26  -3.215  -8.792   1.701
  173    HG3  LYS  26           2HG      LYS  26  -2.766  -8.615  -0.007
  174    HD2  LYS  26           1HD      LYS  26  -0.856 -10.162   0.341
  175    HD3  LYS  26           2HD      LYS  26  -1.296 -10.324   2.056
  176    HE2  LYS  26           1HE      LYS  26  -3.514 -11.234   1.398
  177    HE3  LYS  26           2HE      LYS  26  -3.079 -11.071  -0.309
  178    HZ1  LYS  26           3HZ      LYS  26  -2.700 -13.334   0.488
  179    HZ2  LYS  26           1HZ      LYS  26  -1.674 -12.818   1.645
  180    HZ3  LYS  26           2HZ      LYS  26  -1.272 -12.666   0.068
  181    H    ARG  27           H        ARG  27  -2.067  -5.762   3.791
  182    HA   ARG  27           HA       ARG  27  -4.839  -6.362   4.353
  183    HB2  ARG  27           1HB      ARG  27  -2.998  -6.559   6.021
  184    HB3  ARG  27           2HB      ARG  27  -2.804  -4.807   6.015
  185    HG2  ARG  27           1HG      ARG  27  -4.052  -5.531   7.970
  186    HG3  ARG  27           2HG      ARG  27  -5.074  -4.523   6.945
  187    HD2  ARG  27           1HD      ARG  27  -6.207  -6.530   6.062
  188    HD3  ARG  27           2HD      ARG  27  -5.121  -7.572   7.008
  189    HE   ARG  27           HE       ARG  27  -6.346  -5.802   8.828
  190   HH11  ARG  27          2HH1      ARG  27  -7.393  -8.430   6.759
  191   HH12  ARG  27          1HH1      ARG  27  -8.774  -8.785   7.759
  192   HH21  ARG  27          2HH2      ARG  27  -8.107  -6.340  10.080
  193   HH22  ARG  27          1HH2      ARG  27  -9.144  -7.648   9.597
  194    H    HIS  28           H        HIS  28  -3.163  -3.258   3.702
  195    HA   HIS  28           HA       HIS  28  -5.456  -1.562   4.051
  196    HB2  HIS  28           1HB      HIS  28  -3.353  -0.498   3.817
  197    HB3  HIS  28           2HB      HIS  28  -2.967  -1.347   2.332
  198    HD1  HIS  28           1HD      HIS  28  -4.943   1.677   3.529
  199    HD2  HIS  28           2HD      HIS  28  -4.037  -0.451   0.024
  200    HE1  HIS  28           1HE      HIS  28  -5.723   3.143   1.614
  201    H    VAL  29           H        VAL  29  -4.310  -3.326   1.109
  202    HA   VAL  29           HA       VAL  29  -6.485  -2.468  -0.541
  203    HB   VAL  29           HB       VAL  29  -4.736  -4.944  -0.772
  204   HG11  VAL  29          1HG1      VAL  29  -5.393  -4.919  -3.173
  205   HG12  VAL  29          2HG1      VAL  29  -6.771  -5.262  -2.127
  206   HG13  VAL  29          3HG1      VAL  29  -6.576  -3.638  -2.828
  207   HG21  VAL  29          3HG2      VAL  29  -4.606  -2.237  -2.196
  208   HG22  VAL  29          1HG2      VAL  29  -3.500  -2.765  -0.918
  209   HG23  VAL  29          2HG2      VAL  29  -3.522  -3.618  -2.459
  210    H    ILE  30           H        ILE  30  -6.195  -5.410   1.499
  211    HA   ILE  30           HA       ILE  30  -8.748  -6.516   0.881
  212    HB   ILE  30           HB       ILE  30  -6.936  -6.703   3.306
  213   HG12  ILE  30          1HG1      ILE  30  -7.669  -8.794   1.208
  214   HG13  ILE  30          2HG1      ILE  30  -6.305  -7.712   1.017
  215   HG21  ILE  30          1HG2      ILE  30  -8.305  -8.651   4.074
  216   HG22  ILE  30          2HG2      ILE  30  -9.187  -7.142   4.178
  217   HG23  ILE  30          3HG2      ILE  30  -9.516  -8.264   2.838
  218   HD11  ILE  30          3HD1      ILE  30  -6.625  -9.808   3.199
  219   HD12  ILE  30          1HD1      ILE  30  -5.485  -9.803   1.850
  220   HD13  ILE  30          2HD1      ILE  30  -5.318  -8.602   3.147
  221    H    GLN  31           H        GLN  31  -7.875  -4.118   3.421
  222    HA   GLN  31           HA       GLN  31 -10.597  -4.099   4.461
  223    HB2  GLN  31           1HB      GLN  31  -8.112  -2.466   5.091
  224    HB3  GLN  31           2HB      GLN  31  -9.642  -2.271   5.942
  225    HG2  GLN  31           1HG      GLN  31  -8.084  -4.894   5.815
  226    HG3  GLN  31           2HG      GLN  31  -8.016  -3.739   7.140
  227   HE21  GLN  31          1HE2      GLN  31 -10.122  -3.307   8.344
  228   HE22  GLN  31          2HE2      GLN  31 -11.281  -4.626   8.405
  229    H    LYS  32           H        LYS  32  -8.834  -1.954   2.248
  230    HA   LYS  32           HA       LYS  32 -11.048   0.053   2.403
  231    HB2  LYS  32           1HB      LYS  32  -8.214   0.349   1.341
  232    HB3  LYS  32           2HB      LYS  32  -9.392   1.636   1.544
  233    HG2  LYS  32           1HG      LYS  32  -8.104   0.028   3.793
  234    HG3  LYS  32           2HG      LYS  32  -7.732   1.686   3.320
  235    HD2  LYS  32           1HD      LYS  32 -10.059   2.373   3.914
  236    HD3  LYS  32           2HD      LYS  32 -10.383   0.717   4.478
  237    HE2  LYS  32           1HE      LYS  32  -8.531   0.904   6.113
  238    HE3  LYS  32           2HE      LYS  32  -8.197   2.549   5.557
  239    HZ1  LYS  32           3HZ      LYS  32  -9.590   2.557   7.547
  240    HZ2  LYS  32           1HZ      LYS  32 -10.745   1.668   6.814
  241    HZ3  LYS  32           2HZ      LYS  32 -10.429   3.188   6.300
  242    H    HIS  33           H        HIS  33  -9.910  -2.286   0.142
  243    HA   HIS  33           HA       HIS  33 -11.374  -0.904  -2.070
  244    HB2  HIS  33           1HB      HIS  33  -8.653  -2.241  -2.273
  245    HB3  HIS  33           2HB      HIS  33  -9.559  -1.506  -3.586
  246    HD1  HIS  33           1HD      HIS  33 -10.261   1.320  -2.488
  247    HD2  HIS  33           2HD      HIS  33  -6.637  -0.697  -1.846
  248    HE1  HIS  33           1HE      HIS  33  -8.559   3.122  -1.950
  249    H    SER  34           H        SER  34 -11.699  -2.302  -3.977
  250    HA   SER  34           HA       SER  34 -12.816  -4.010  -4.941
  251    HB2  SER  34           1HB      SER  34 -10.736  -5.682  -3.511
  252    HB3  SER  34           2HB      SER  34 -11.642  -6.133  -4.966
  253    HG   SER  34           HG       SER  34  -9.623  -5.323  -5.537
  254    H    ASN  35           H        ASN  35 -13.908  -3.317  -2.275
  255    HA   ASN  35           HA       ASN  35 -14.893  -5.837  -1.157
  256    HB2  ASN  35           1HB      ASN  35 -15.584  -4.437   0.723
  257    HB3  ASN  35           2HB      ASN  35 -13.910  -4.134   0.284
  258   HD21  ASN  35          1HD2      ASN  35 -17.218  -2.814   0.036
  259   HD22  ASN  35          2HD2      ASN  35 -16.685  -1.147  -0.188
  260    H    ILE  36           H        ILE  36 -15.977  -4.870  -3.785
  261    HA   ILE  36           HA       ILE  36 -18.776  -4.198  -3.302
  262    HB   ILE  36           HB       ILE  36 -18.971  -4.515  -5.807
  263   HG12  ILE  36          1HG1      ILE  36 -16.966  -4.349  -7.171
  264   HG13  ILE  36          2HG1      ILE  36 -15.917  -4.538  -5.774
  265   HG21  ILE  36          1HG2      ILE  36 -17.917  -2.345  -6.235
  266   HG22  ILE  36          2HG2      ILE  36 -18.742  -2.347  -4.671
  267   HG23  ILE  36          3HG2      ILE  36 -16.970  -2.481  -4.740
  268   HD11  ILE  36          3HD1      ILE  36 -16.166  -6.581  -7.215
  269   HD12  ILE  36          1HD1      ILE  36 -16.572  -6.859  -5.521
  270   HD13  ILE  36          2HD1      ILE  36 -17.871  -6.675  -6.732
  271    H    LEU  37           H        LEU  37 -20.544  -5.416  -4.302
  272    HA   LEU  37           HA       LEU  37 -20.356  -8.372  -3.957
  273    HB2  LEU  37           1HB      LEU  37 -22.434  -6.494  -2.751
  274    HB3  LEU  37           2HB      LEU  37 -22.567  -8.244  -2.766
  275    HG   LEU  37           HG       LEU  37 -20.373  -6.694  -1.317
  276   HD11  LEU  37          1HD1      LEU  37 -22.870  -8.087  -0.264
  277   HD12  LEU  37          2HD1      LEU  37 -22.605  -6.330  -0.342
  278   HD13  LEU  37          3HD1      LEU  37 -21.597  -7.326   0.717
  279   HD21  LEU  37          3HD2      LEU  37 -19.950  -8.864  -0.189
  280   HD22  LEU  37          1HD2      LEU  37 -19.644  -8.973  -1.923
  281   HD23  LEU  37          2HD2      LEU  37 -21.143  -9.649  -1.250
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1  24.619   1.848  14.339
    2    H2   GLY   1           2H       GLY   1  23.348   0.944  14.844
    3    H3   GLY   1           3H       GLY   1  24.056   2.006  15.871
    4    HA2  GLY   1           1HA      GLY   1  23.354   3.876  14.523
    5    HA3  GLY   1           2HA      GLY   1  22.574   2.724  13.426
    6    H    SER   2           H        SER   2  20.619   3.988  13.871
    7    HA   SER   2           HA       SER   2  19.387   3.861  16.526
    8    HB2  SER   2           1HB      SER   2  17.573   5.105  15.491
    9    HB3  SER   2           2HB      SER   2  19.134   5.837  15.095
   10    HG   SER   2           HG       SER   2  17.808   5.668  13.242
   11    H    SER   3           H        SER   3  17.088   3.128  16.716
   12    HA   SER   3           HA       SER   3  16.858   0.338  15.960
   13    HB2  SER   3           1HB      SER   3  14.902   2.096  17.477
   14    HB3  SER   3           2HB      SER   3  14.920   0.322  17.425
   15    HG   SER   3           HG       SER   3  15.943   1.140  19.311
   16    H    GLY   4           H        GLY   4  16.199   2.842  13.987
   17    HA2  GLY   4           1HA      GLY   4  13.497   2.452  13.118
   18    HA3  GLY   4           2HA      GLY   4  14.778   3.248  12.210
   19    H    SER   5           H        SER   5  12.693   1.544  11.178
   20    HA   SER   5           HA       SER   5  13.733  -1.090  10.570
   21    HB2  SER   5           1HB      SER   5  11.330  -0.625  10.702
   22    HB3  SER   5           2HB      SER   5  11.447   0.440   9.286
   23    HG   SER   5           HG       SER   5  10.796  -1.811   8.881
   24    H    SER   6           H        SER   6  14.580  -1.918   8.721
   25    HA   SER   6           HA       SER   6  15.730  -0.096   6.683
   26    HB2  SER   6           1HB      SER   6  17.014  -2.095   6.003
   27    HB3  SER   6           2HB      SER   6  17.259  -1.662   7.702
   28    HG   SER   6           HG       SER   6  16.906  -3.922   7.416
   29    H    GLY   7           H        GLY   7  12.822  -1.698   7.048
   30    HA2  GLY   7           1HA      GLY   7  12.449  -3.045   4.565
   31    HA3  GLY   7           2HA      GLY   7  11.173  -2.436   5.613
   32    H    HIS   8           H        HIS   8  11.389  -2.481   2.672
   33    HA   HIS   8           HA       HIS   8  11.653   0.318   1.817
   34    HB2  HIS   8           1HB      HIS   8  10.844  -2.172   0.275
   35    HB3  HIS   8           2HB      HIS   8  11.182  -0.590  -0.420
   36    HD1  HIS   8           1HD      HIS   8  12.921  -3.751   0.150
   37    HD2  HIS   8           2HD      HIS   8  13.870   0.347   0.303
   38    HE1  HIS   8           1HE      HIS   8  15.459  -3.600  -0.019
   39    H    LEU   9           H        LEU   9  10.010   1.538   0.790
   40    HA   LEU   9           HA       LEU   9   7.269   1.115   1.781
   41    HB2  LEU   9           1HB      LEU   9   8.606   3.285   0.133
   42    HB3  LEU   9           2HB      LEU   9   6.866   3.242   0.379
   43    HG   LEU   9           HG       LEU   9   8.851   3.349   2.687
   44   HD11  LEU   9          1HD1      LEU   9   8.270   5.741   2.832
   45   HD12  LEU   9          2HD1      LEU   9   7.286   5.601   1.356
   46   HD13  LEU   9          3HD1      LEU   9   9.046   5.369   1.285
   47   HD21  LEU   9          3HD2      LEU   9   5.847   3.900   2.528
   48   HD22  LEU   9          1HD2      LEU   9   6.868   4.120   3.964
   49   HD23  LEU   9          2HD2      LEU   9   6.608   2.501   3.314
   50    H    TYR  10           H        TYR  10   5.570   0.482   0.683
   51    HA   TYR  10           HA       TYR  10   5.722  -0.047  -2.254
   52    HB2  TYR  10           1HB      TYR  10   4.368  -1.711  -0.096
   53    HB3  TYR  10           2HB      TYR  10   4.113  -1.910  -1.824
   54    HD1  TYR  10           1HD      TYR  10   6.735  -2.115   0.834
   55    HD2  TYR  10           2HD      TYR  10   5.584  -3.185  -3.181
   56    HE1  TYR  10           1HE      TYR  10   8.681  -3.667   0.691
   57    HE2  TYR  10           2HE      TYR  10   7.511  -4.761  -3.312
   58    HH   TYR  10           HH       TYR  10   9.796  -5.214  -0.588
   59    H    TYR  11           H        TYR  11   3.886   0.517  -3.425
   60    HA   TYR  11           HA       TYR  11   2.098   2.487  -2.061
   61    HB2  TYR  11           1HB      TYR  11   3.260   2.499  -4.863
   62    HB3  TYR  11           2HB      TYR  11   2.133   3.681  -4.222
   63    HD1  TYR  11           1HD      TYR  11   5.608   2.337  -3.882
   64    HD2  TYR  11           2HD      TYR  11   2.867   5.505  -2.843
   65    HE1  TYR  11           1HE      TYR  11   7.490   3.645  -2.927
   66    HE2  TYR  11           2HE      TYR  11   4.763   6.820  -1.894
   67    HH   TYR  11           HH       TYR  11   8.132   5.597  -1.909
   68    H    CYS  12           H        CYS  12  -0.045   2.585  -2.521
   69    HA   CYS  12           HA       CYS  12  -1.377   0.189  -3.198
   70    HB2  CYS  12           1HB      CYS  12  -2.139   1.931  -1.634
   71    HB3  CYS  12           2HB      CYS  12  -2.424   3.031  -2.994
   72    H    SER  13           H        SER  13  -2.812  -0.327  -4.824
   73    HA   SER  13           HA       SER  13  -2.050   0.493  -7.554
   74    HB2  SER  13           1HB      SER  13  -3.480  -1.399  -8.225
   75    HB3  SER  13           2HB      SER  13  -2.244  -1.874  -7.051
   76    HG   SER  13           HG       SER  13  -4.197  -2.773  -6.451
   77    H    GLN  14           H        GLN  14  -4.492   1.294  -5.266
   78    HA   GLN  14           HA       GLN  14  -6.336   2.345  -7.398
   79    HB2  GLN  14           1HB      GLN  14  -6.866   0.743  -4.884
   80    HB3  GLN  14           2HB      GLN  14  -8.146   1.648  -5.694
   81    HG2  GLN  14           1HG      GLN  14  -8.059   0.336  -7.651
   82    HG3  GLN  14           2HG      GLN  14  -6.462  -0.307  -7.289
   83   HE21  GLN  14          1HE2      GLN  14  -6.203  -1.914  -5.608
   84   HE22  GLN  14          2HE2      GLN  14  -7.592  -2.913  -5.174
   85    H    CYS  15           H        CYS  15  -4.515   3.327  -4.674
   86    HA   CYS  15           HA       CYS  15  -5.700   5.982  -4.879
   87    HB2  CYS  15           1HB      CYS  15  -6.243   6.289  -2.571
   88    HB3  CYS  15           2HB      CYS  15  -7.108   4.879  -3.156
   89    H    HIS  16           H        HIS  16  -4.464   7.281  -2.860
   90    HA   HIS  16           HA       HIS  16  -1.694   7.345  -3.817
   91    HB2  HIS  16           1HB      HIS  16  -3.397   9.301  -3.483
   92    HB3  HIS  16           2HB      HIS  16  -2.908   9.235  -1.796
   93    HD1  HIS  16           1HD      HIS  16   0.204   9.043  -2.036
   94    HD2  HIS  16           2HD      HIS  16  -2.265  11.344  -4.543
   95    HE1  HIS  16           1HE      HIS  16   1.694  10.889  -3.012
   96    H    TYR  17           H        TYR  17  -3.099   5.563  -1.381
   97    HA   TYR  17           HA       TYR  17  -1.439   6.039   0.882
   98    HB2  TYR  17           1HB      TYR  17  -3.595   4.889   0.955
   99    HB3  TYR  17           2HB      TYR  17  -2.945   3.569  -0.012
  100    HD1  TYR  17           1HD      TYR  17  -2.745   5.245   3.319
  101    HD2  TYR  17           2HD      TYR  17  -1.731   1.769   0.974
  102    HE1  TYR  17           1HE      TYR  17  -2.099   4.023   5.397
  103    HE2  TYR  17           2HE      TYR  17  -1.113   0.545   3.045
  104    HH   TYR  17           HH       TYR  17  -0.956   0.628   5.342
  105    H    SER  18           H        SER  18   0.248   4.841   1.804
  106    HA   SER  18           HA       SER  18   1.592   2.755   0.278
  107    HB2  SER  18           1HB      SER  18   3.827   3.724   0.424
  108    HB3  SER  18           2HB      SER  18   2.753   4.740  -0.546
  109    HG   SER  18           HG       SER  18   2.539   6.149   1.204
  110    H    SER  19           H        SER  19   3.052   1.485   1.514
  111    HA   SER  19           HA       SER  19   3.091   1.878   4.455
  112    HB2  SER  19           1HB      SER  19   1.041   0.493   3.765
  113    HB3  SER  19           2HB      SER  19   2.186  -0.765   3.269
  114    HG   SER  19           HG       SER  19   1.739   0.353   5.854
  115    H    ILE  20           H        ILE  20   4.668   0.573   5.550
  116    HA   ILE  20           HA       ILE  20   7.029  -0.078   3.905
  117    HB   ILE  20           HB       ILE  20   6.633  -0.201   6.915
  118   HG12  ILE  20          1HG1      ILE  20   8.138   1.810   5.169
  119   HG13  ILE  20          2HG1      ILE  20   6.579   2.107   5.941
  120   HG21  ILE  20          1HG2      ILE  20   9.104  -0.497   6.999
  121   HG22  ILE  20          2HG2      ILE  20   8.354  -1.825   6.136
  122   HG23  ILE  20          3HG2      ILE  20   9.157  -0.529   5.223
  123   HD11  ILE  20          3HD1      ILE  20   8.242   3.172   7.268
  124   HD12  ILE  20          1HD1      ILE  20   7.656   1.768   8.183
  125   HD13  ILE  20          2HD1      ILE  20   9.235   1.713   7.357
  126    H    THR  21           H        THR  21   7.472  -1.995   3.174
  127    HA   THR  21           HA       THR  21   7.355  -4.131   2.548
  128    HB   THR  21           HB       THR  21   6.418  -4.806   5.341
  129    HG1  THR  21           1HG      THR  21   8.618  -5.120   5.674
  130   HG21  THR  21          3HG2      THR  21   7.539  -6.983   4.868
  131   HG22  THR  21          1HG2      THR  21   7.753  -6.495   3.173
  132   HG23  THR  21          2HG2      THR  21   6.123  -6.731   3.851
  133    H    LYS  22           H        LYS  22   6.103  -5.262   1.233
  134    HA   LYS  22           HA       LYS  22   3.477  -4.456   0.684
  135    HB2  LYS  22           1HB      LYS  22   3.434  -6.245  -0.961
  136    HB3  LYS  22           2HB      LYS  22   4.971  -5.389  -0.972
  137    HG2  LYS  22           1HG      LYS  22   6.000  -7.258   0.356
  138    HG3  LYS  22           2HG      LYS  22   4.455  -8.128   0.274
  139    HD2  LYS  22           1HD      LYS  22   4.595  -8.140  -2.204
  140    HD3  LYS  22           2HD      LYS  22   6.135  -7.253  -2.121
  141    HE2  LYS  22           1HE      LYS  22   7.134  -9.118  -0.815
  142    HE3  LYS  22           2HE      LYS  22   5.606 -10.004  -0.906
  143    HZ1  LYS  22           3HZ      LYS  22   7.158 -10.739  -2.623
  144    HZ2  LYS  22           1HZ      LYS  22   7.274  -9.236  -3.247
  145    HZ3  LYS  22           2HZ      LYS  22   5.860 -10.054  -3.333
  146    H    ASN  23           H        ASN  23   4.410  -6.948   2.921
  147    HA   ASN  23           HA       ASN  23   1.924  -8.322   3.171
  148    HB2  ASN  23           1HB      ASN  23   4.166  -9.059   4.053
  149    HB3  ASN  23           2HB      ASN  23   4.057  -7.799   5.287
  150   HD21  ASN  23          1HD2      ASN  23   3.726  -8.938   7.196
  151   HD22  ASN  23          2HD2      ASN  23   2.492 -10.173   7.382
  152    H    CYS  24           H        CYS  24   2.890  -5.132   4.366
  153    HA   CYS  24           HA       CYS  24   0.411  -4.883   5.986
  154    HB2  CYS  24           1HB      CYS  24   2.788  -3.042   5.522
  155    HB3  CYS  24           2HB      CYS  24   1.370  -2.623   6.496
  156    HG   CYS  24           HG       CYS  24   3.448  -3.332   8.014
  157    H    LEU  25           H        LEU  25   1.756  -3.699   2.868
  158    HA   LEU  25           HA       LEU  25  -0.360  -1.964   2.285
  159    HB2  LEU  25           1HB      LEU  25   1.771  -1.990   1.042
  160    HB3  LEU  25           2HB      LEU  25   1.364  -3.578   0.378
  161    HG   LEU  25           HG       LEU  25  -0.626  -2.581  -0.770
  162   HD11  LEU  25          1HD1      LEU  25  -0.744  -0.108  -0.987
  163   HD12  LEU  25          2HD1      LEU  25   0.520   0.060   0.249
  164   HD13  LEU  25          3HD1      LEU  25  -1.070  -0.633   0.659
  165   HD21  LEU  25          3HD2      LEU  25   1.945  -1.140  -1.424
  166   HD22  LEU  25          1HD2      LEU  25   0.590  -1.495  -2.517
  167   HD23  LEU  25          2HD2      LEU  25   1.581  -2.818  -1.891
  168    H    LYS  26           H        LYS  26  -0.067  -5.491   1.541
  169    HA   LYS  26           HA       LYS  26  -2.521  -5.686   0.112
  170    HB2  LYS  26           1HB      LYS  26  -2.415  -8.051   0.422
  171    HB3  LYS  26           2HB      LYS  26  -0.791  -7.434   0.110
  172    HG2  LYS  26           1HG      LYS  26  -0.328  -7.523   2.571
  173    HG3  LYS  26           2HG      LYS  26  -1.909  -8.264   2.832
  174    HD2  LYS  26           1HD      LYS  26   0.338  -9.437   1.135
  175    HD3  LYS  26           2HD      LYS  26  -0.052  -9.901   2.800
  176    HE2  LYS  26           1HE      LYS  26  -2.335 -10.595   2.067
  177    HE3  LYS  26           2HE      LYS  26  -1.908 -10.201   0.396
  178    HZ1  LYS  26           3HZ      LYS  26  -0.153 -11.891   0.516
  179    HZ2  LYS  26           1HZ      LYS  26  -1.600 -12.564   0.854
  180    HZ3  LYS  26           2HZ      LYS  26  -0.546 -12.254   2.060
  181    H    ARG  27           H        ARG  27  -2.016  -5.625   3.598
  182    HA   ARG  27           HA       ARG  27  -4.686  -6.349   4.393
  183    HB2  ARG  27           1HB      ARG  27  -2.537  -6.233   5.796
  184    HB3  ARG  27           2HB      ARG  27  -2.771  -4.481   5.861
  185    HG2  ARG  27           1HG      ARG  27  -5.057  -4.907   6.882
  186    HG3  ARG  27           2HG      ARG  27  -4.646  -6.628   6.940
  187    HD2  ARG  27           1HD      ARG  27  -3.224  -4.333   8.356
  188    HD3  ARG  27           2HD      ARG  27  -4.235  -5.562   9.106
  189    HE   ARG  27           HE       ARG  27  -2.555  -7.263   8.545
  190   HH11  ARG  27          2HH1      ARG  27  -1.355  -3.962   8.491
  191   HH12  ARG  27          1HH1      ARG  27   0.304  -4.481   8.640
  192   HH21  ARG  27          2HH2      ARG  27  -0.421  -7.829   8.708
  193   HH22  ARG  27          1HH2      ARG  27   0.807  -6.599   8.750
  194    H    HIS  28           H        HIS  28  -3.236  -3.168   3.597
  195    HA   HIS  28           HA       HIS  28  -5.617  -1.600   4.020
  196    HB2  HIS  28           1HB      HIS  28  -3.604  -0.406   3.825
  197    HB3  HIS  28           2HB      HIS  28  -3.106  -1.239   2.369
  198    HD1  HIS  28           1HD      HIS  28  -5.241   1.708   3.443
  199    HD2  HIS  28           2HD      HIS  28  -4.109  -0.433   0.009
  200    HE1  HIS  28           1HE      HIS  28  -5.964   3.134   1.475
  201    H    VAL  29           H        VAL  29  -4.399  -3.285   1.061
  202    HA   VAL  29           HA       VAL  29  -6.614  -2.515  -0.583
  203    HB   VAL  29           HB       VAL  29  -4.855  -4.985  -0.834
  204   HG11  VAL  29          1HG1      VAL  29  -6.875  -5.206  -2.232
  205   HG12  VAL  29          2HG1      VAL  29  -6.622  -3.569  -2.879
  206   HG13  VAL  29          3HG1      VAL  29  -5.470  -4.871  -3.243
  207   HG21  VAL  29          3HG2      VAL  29  -3.591  -3.634  -2.476
  208   HG22  VAL  29          1HG2      VAL  29  -4.617  -2.227  -2.132
  209   HG23  VAL  29          2HG2      VAL  29  -3.533  -2.876  -0.887
  210    H    ILE  30           H        ILE  30  -6.206  -5.397   1.493
  211    HA   ILE  30           HA       ILE  30  -8.695  -6.655   0.904
  212    HB   ILE  30           HB       ILE  30  -6.834  -6.722   3.296
  213   HG12  ILE  30          1HG1      ILE  30  -7.451  -8.902   1.264
  214   HG13  ILE  30          2HG1      ILE  30  -6.217  -7.702   0.959
  215   HG21  ILE  30          1HG2      ILE  30  -9.309  -8.452   2.864
  216   HG22  ILE  30          2HG2      ILE  30  -8.049  -8.763   4.075
  217   HG23  ILE  30          3HG2      ILE  30  -9.029  -7.317   4.206
  218   HD11  ILE  30          3HD1      ILE  30  -6.211  -9.730   3.228
  219   HD12  ILE  30          1HD1      ILE  30  -5.146  -9.669   1.817
  220   HD13  ILE  30          2HD1      ILE  30  -5.032  -8.410   3.060
  221    H    GLN  31           H        GLN  31  -7.922  -4.126   3.323
  222    HA   GLN  31           HA       GLN  31 -10.634  -4.236   4.441
  223    HB2  GLN  31           1HB      GLN  31  -8.166  -2.582   5.064
  224    HB3  GLN  31           2HB      GLN  31  -9.703  -2.410   5.924
  225    HG2  GLN  31           1HG      GLN  31  -9.639  -4.759   6.628
  226    HG3  GLN  31           2HG      GLN  31  -8.135  -5.025   5.754
  227   HE21  GLN  31          2HE2      GLN  31  -7.964  -5.728   8.313
  228   HE22  GLN  31          1HE2      GLN  31  -7.143  -4.500   9.266
  229    H    LYS  32           H        LYS  32  -8.905  -2.004   2.275
  230    HA   LYS  32           HA       LYS  32 -11.144  -0.032   2.475
  231    HB2  LYS  32           1HB      LYS  32  -8.313   0.353   1.438
  232    HB3  LYS  32           2HB      LYS  32  -9.509   1.609   1.725
  233    HG2  LYS  32           1HG      LYS  32  -8.168  -0.108   3.860
  234    HG3  LYS  32           2HG      LYS  32  -7.837   1.582   3.488
  235    HD2  LYS  32           1HD      LYS  32 -10.146   2.198   4.165
  236    HD3  LYS  32           2HD      LYS  32 -10.468   0.502   4.593
  237    HE2  LYS  32           1HE      LYS  32  -8.604   0.553   6.226
  238    HE3  LYS  32           2HE      LYS  32  -8.280   2.241   5.811
  239    HZ1  LYS  32           3HZ      LYS  32 -10.511   2.801   6.620
  240    HZ2  LYS  32           1HZ      LYS  32  -9.659   2.069   7.802
  241    HZ3  LYS  32           2HZ      LYS  32 -10.814   1.241   7.003
  242    H    HIS  33           H        HIS  33  -9.959  -2.273   0.147
  243    HA   HIS  33           HA       HIS  33 -11.441  -0.832  -2.019
  244    HB2  HIS  33           1HB      HIS  33  -8.774  -2.257  -2.277
  245    HB3  HIS  33           2HB      HIS  33  -9.694  -1.534  -3.590
  246    HD1  HIS  33           1HD      HIS  33 -10.352   1.315  -2.384
  247    HD2  HIS  33           2HD      HIS  33  -6.692  -0.721  -2.069
  248    HE1  HIS  33           1HE      HIS  33  -8.606   3.104  -1.969
  249    H    SER  34           H        SER  34 -12.017  -2.199  -3.883
  250    HA   SER  34           HA       SER  34 -13.608  -4.393  -2.985
  251    HB2  SER  34           1HB      SER  34 -14.166  -2.923  -4.904
  252    HB3  SER  34           2HB      SER  34 -12.860  -3.678  -5.841
  253    HG   SER  34           HG       SER  34 -14.935  -4.653  -6.203
  254    H    ASN  35           H        ASN  35 -13.174  -6.457  -2.704
  255    HA   ASN  35           HA       ASN  35 -11.238  -7.940  -4.293
  256    HB2  ASN  35           1HB      ASN  35  -9.859  -8.689  -2.457
  257    HB3  ASN  35           2HB      ASN  35  -9.807  -6.935  -2.514
  258   HD21  ASN  35          1HD2      ASN  35 -11.121  -5.724  -0.843
  259   HD22  ASN  35          2HD2      ASN  35 -11.282  -6.525   0.705
  260    H    ILE  36           H        ILE  36 -11.381 -10.256  -3.940
  261    HA   ILE  36           HA       ILE  36 -13.962 -11.186  -2.770
  262    HB   ILE  36           HB       ILE  36 -14.373 -12.539  -4.772
  263   HG12  ILE  36          1HG1      ILE  36 -12.132 -10.959  -6.113
  264   HG13  ILE  36          2HG1      ILE  36 -12.027 -12.652  -5.628
  265   HG21  ILE  36          1HG2      ILE  36 -15.337 -10.778  -6.099
  266   HG22  ILE  36          2HG2      ILE  36 -15.419 -10.291  -4.406
  267   HG23  ILE  36          3HG2      ILE  36 -14.185  -9.583  -5.471
  268   HD11  ILE  36          3HD1      ILE  36 -13.926 -13.191  -7.165
  269   HD12  ILE  36          1HD1      ILE  36 -13.886 -11.506  -7.745
  270   HD13  ILE  36          2HD1      ILE  36 -12.485 -12.559  -7.985
  271    H    LEU  37           H        LEU  37 -14.173 -13.489  -2.541
  272    HA   LEU  37           HA       LEU  37 -11.639 -14.959  -2.016
  273    HB2  LEU  37           1HB      LEU  37 -12.584 -14.150   0.077
  274    HB3  LEU  37           2HB      LEU  37 -14.195 -14.701  -0.384
  275    HG   LEU  37           HG       LEU  37 -13.452 -17.040  -0.296
  276   HD11  LEU  37          1HD1      LEU  37 -10.843 -15.875   0.786
  277   HD12  LEU  37          2HD1      LEU  37 -11.036 -16.788  -0.728
  278   HD13  LEU  37          3HD1      LEU  37 -11.294 -17.596   0.822
  279   HD21  LEU  37          3HD2      LEU  37 -12.880 -15.439   2.233
  280   HD22  LEU  37          1HD2      LEU  37 -13.285 -17.171   2.161
  281   HD23  LEU  37          2HD2      LEU  37 -14.481 -15.964   1.665
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  26.808   8.680  -2.340
    2    H2   GLY   1           2H       GLY   1  25.318   8.004  -2.438
    3    H3   GLY   1           3H       GLY   1  26.316   7.979  -3.737
    4    HA2  GLY   1           1HA      GLY   1  27.867   6.535  -2.604
    5    HA3  GLY   1           2HA      GLY   1  26.804   6.576  -1.187
    6    H    SER   2           H        SER   2  27.713   4.323  -2.969
    7    HA   SER   2           HA       SER   2  25.411   3.472  -4.512
    8    HB2  SER   2           1HB      SER   2  27.917   1.934  -3.754
    9    HB3  SER   2           2HB      SER   2  26.768   1.526  -5.042
   10    HG   SER   2           HG       SER   2  28.607   2.648  -5.847
   11    H    SER   3           H        SER   3  26.031   3.155  -1.174
   12    HA   SER   3           HA       SER   3  25.144   0.524  -0.624
   13    HB2  SER   3           1HB      SER   3  24.939   2.986   1.148
   14    HB3  SER   3           2HB      SER   3  24.886   1.294   1.678
   15    HG   SER   3           HG       SER   3  26.984   2.207   1.913
   16    H    GLY   4           H        GLY   4  23.216  -0.327   0.171
   17    HA2  GLY   4           1HA      GLY   4  20.710   0.742  -0.848
   18    HA3  GLY   4           2HA      GLY   4  20.931  -0.712   0.117
   19    H    SER   5           H        SER   5  18.755   0.682   0.618
   20    HA   SER   5           HA       SER   5  19.189   2.056   3.241
   21    HB2  SER   5           1HB      SER   5  17.265   2.907   1.045
   22    HB3  SER   5           2HB      SER   5  17.341   3.594   2.677
   23    HG   SER   5           HG       SER   5  18.525   4.834   1.137
   24    H    SER   6           H        SER   6  17.547   1.837   4.776
   25    HA   SER   6           HA       SER   6  16.248  -0.722   4.760
   26    HB2  SER   6           1HB      SER   6  16.015   1.536   6.779
   27    HB3  SER   6           2HB      SER   6  15.609  -0.171   7.043
   28    HG   SER   6           HG       SER   6  17.708   0.352   7.824
   29    H    GLY   7           H        GLY   7  15.044   2.224   3.561
   30    HA2  GLY   7           1HA      GLY   7  12.291   2.093   4.402
   31    HA3  GLY   7           2HA      GLY   7  12.955   3.080   3.103
   32    H    HIS   8           H        HIS   8  11.858  -0.200   3.894
   33    HA   HIS   8           HA       HIS   8  11.462  -0.994   1.101
   34    HB2  HIS   8           1HB      HIS   8  10.833  -2.359   3.743
   35    HB3  HIS   8           2HB      HIS   8  10.535  -3.070   2.159
   36    HD1  HIS   8           1HD      HIS   8  13.575  -1.916   4.274
   37    HD2  HIS   8           2HD      HIS   8  12.524  -4.239   0.924
   38    HE1  HIS   8           1HE      HIS   8  15.683  -3.185   3.593
   39    H    LEU   9           H        LEU   9  10.115   1.125   0.951
   40    HA   LEU   9           HA       LEU   9   7.333   0.962   1.842
   41    HB2  LEU   9           1HB      LEU   9   8.882   2.911   0.098
   42    HB3  LEU   9           2HB      LEU   9   7.145   3.001   0.258
   43    HG   LEU   9           HG       LEU   9   8.168   4.629   1.661
   44   HD11  LEU   9          1HD1      LEU   9   7.029   2.449   3.441
   45   HD12  LEU   9          2HD1      LEU   9   6.061   3.549   2.430
   46   HD13  LEU   9          3HD1      LEU   9   7.051   4.191   3.752
   47   HD21  LEU   9          3HD2      LEU   9  10.326   3.526   2.125
   48   HD22  LEU   9          1HD2      LEU   9   9.506   2.405   3.242
   49   HD23  LEU   9          2HD2      LEU   9   9.543   4.143   3.590
   50    H    TYR  10           H        TYR  10   5.562   0.458   0.742
   51    HA   TYR  10           HA       TYR  10   5.682  -0.171  -2.170
   52    HB2  TYR  10           1HB      TYR  10   4.277  -1.797  -0.019
   53    HB3  TYR  10           2HB      TYR  10   4.075  -2.014  -1.753
   54    HD1  TYR  10           1HD      TYR  10   6.500  -2.330   1.040
   55    HD2  TYR  10           2HD      TYR  10   5.715  -3.137  -3.121
   56    HE1  TYR  10           1HE      TYR  10   8.485  -3.845   0.957
   57    HE2  TYR  10           2HE      TYR  10   7.696  -4.645  -3.203
   58    HH   TYR  10           HH       TYR  10   9.447  -5.561  -2.034
   59    H    TYR  11           H        TYR  11   3.800   0.314  -3.333
   60    HA   TYR  11           HA       TYR  11   2.061   2.387  -2.055
   61    HB2  TYR  11           1HB      TYR  11   3.336   2.328  -4.812
   62    HB3  TYR  11           2HB      TYR  11   2.200   3.539  -4.246
   63    HD1  TYR  11           2HD      TYR  11   5.616   2.102  -3.573
   64    HD2  TYR  11           1HD      TYR  11   2.953   5.472  -3.118
   65    HE1  TYR  11           2HE      TYR  11   7.476   3.444  -2.606
   66    HE2  TYR  11           1HE      TYR  11   4.824   6.821  -2.183
   67    HH   TYR  11           HH       TYR  11   7.035   6.844  -1.563
   68    H    CYS  12           H        CYS  12  -0.064   2.534  -2.610
   69    HA   CYS  12           HA       CYS  12  -1.411   0.179  -3.512
   70    HB2  CYS  12           1HB      CYS  12  -2.164   1.780  -1.782
   71    HB3  CYS  12           2HB      CYS  12  -2.447   2.991  -3.042
   72    H    SER  13           H        SER  13  -2.884  -0.081  -5.164
   73    HA   SER  13           HA       SER  13  -2.084   1.069  -7.786
   74    HB2  SER  13           1HB      SER  13  -3.276  -0.867  -8.729
   75    HB3  SER  13           2HB      SER  13  -1.990  -1.344  -7.606
   76    HG   SER  13           HG       SER  13  -3.930  -2.513  -7.231
   77    H    GLN  14           H        GLN  14  -4.598   1.401  -5.468
   78    HA   GLN  14           HA       GLN  14  -6.446   2.565  -7.538
   79    HB2  GLN  14           1HB      GLN  14  -7.178   1.120  -4.966
   80    HB3  GLN  14           2HB      GLN  14  -8.299   1.911  -6.084
   81    HG2  GLN  14           1HG      GLN  14  -7.430   0.360  -7.909
   82    HG3  GLN  14           2HG      GLN  14  -6.564  -0.524  -6.651
   83   HE21  GLN  14          1HE2      GLN  14  -8.053  -2.264  -7.729
   84   HE22  GLN  14          2HE2      GLN  14  -9.656  -2.436  -7.004
   85    H    CYS  15           H        CYS  15  -4.640   3.369  -4.717
   86    HA   CYS  15           HA       CYS  15  -5.803   6.060  -4.760
   87    HB2  CYS  15           1HB      CYS  15  -6.332   6.179  -2.440
   88    HB3  CYS  15           2HB      CYS  15  -7.182   4.799  -3.117
   89    H    HIS  16           H        HIS  16  -4.553   7.281  -2.762
   90    HA   HIS  16           HA       HIS  16  -1.778   7.346  -3.716
   91    HB2  HIS  16           1HB      HIS  16  -1.653   9.478  -2.602
   92    HB3  HIS  16           2HB      HIS  16  -3.122   9.394  -3.563
   93    HD1  HIS  16           1HD      HIS  16  -2.027   9.268   0.147
   94    HD2  HIS  16           2HD      HIS  16  -5.427   9.756  -2.286
   95    HE1  HIS  16           1HE      HIS  16  -3.928   9.956   1.706
   96    H    TYR  17           H        TYR  17  -3.107   5.430  -1.406
   97    HA   TYR  17           HA       TYR  17  -1.509   5.876   0.908
   98    HB2  TYR  17           1HB      TYR  17  -3.601   4.616   0.897
   99    HB3  TYR  17           2HB      TYR  17  -2.877   3.379  -0.126
  100    HD1  TYR  17           1HD      TYR  17  -3.041   4.767   3.292
  101    HD2  TYR  17           2HD      TYR  17  -1.320   1.716   0.770
  102    HE1  TYR  17           1HE      TYR  17  -2.369   3.475   5.311
  103    HE2  TYR  17           2HE      TYR  17  -0.632   0.433   2.798
  104    HH   TYR  17           HH       TYR  17  -1.377   1.577   6.110
  105    H    SER  18           H        SER  18   0.319   4.952   1.716
  106    HA   SER  18           HA       SER  18   1.660   2.764   0.369
  107    HB2  SER  18           1HB      SER  18   3.854   3.827   0.210
  108    HB3  SER  18           2HB      SER  18   2.660   4.664  -0.794
  109    HG   SER  18           HG       SER  18   3.953   6.138   0.392
  110    H    SER  19           H        SER  19   3.136   1.643   1.697
  111    HA   SER  19           HA       SER  19   3.752   2.615   4.376
  112    HB2  SER  19           1HB      SER  19   1.414   1.602   4.554
  113    HB3  SER  19           2HB      SER  19   2.170   0.028   4.239
  114    HG   SER  19           HG       SER  19   2.002   0.549   6.494
  115    H    ILE  20           H        ILE  20   4.979   0.902   5.632
  116    HA   ILE  20           HA       ILE  20   7.113  -0.200   3.948
  117    HB   ILE  20           HB       ILE  20   6.728  -0.268   6.961
  118   HG12  ILE  20          1HG1      ILE  20   8.551   1.452   5.210
  119   HG13  ILE  20          2HG1      ILE  20   7.078   2.016   5.997
  120   HG21  ILE  20          1HG2      ILE  20   9.110  -0.980   7.050
  121   HG22  ILE  20          2HG2      ILE  20   8.137  -2.166   6.215
  122   HG23  ILE  20          3HG2      ILE  20   9.159  -1.049   5.276
  123   HD11  ILE  20          3HD1      ILE  20   8.905   2.773   7.307
  124   HD12  ILE  20          1HD1      ILE  20   8.103   1.485   8.227
  125   HD13  ILE  20          2HD1      ILE  20   9.641   1.169   7.380
  126    H    THR  21           H        THR  21   7.467  -2.254   3.499
  127    HA   THR  21           HA       THR  21   7.111  -4.294   2.829
  128    HB   THR  21           HB       THR  21   7.612  -5.023   5.009
  129    HG1  THR  21           1HG      THR  21   6.816  -7.041   4.709
  130   HG21  THR  21          3HG2      THR  21   4.622  -4.981   5.582
  131   HG22  THR  21          1HG2      THR  21   5.930  -4.212   6.512
  132   HG23  THR  21          2HG2      THR  21   5.793  -5.967   6.487
  133    H    LYS  22           H        LYS  22   5.948  -5.571   1.591
  134    HA   LYS  22           HA       LYS  22   3.444  -4.583   0.591
  135    HB2  LYS  22           1HB      LYS  22   5.232  -5.753  -0.702
  136    HB3  LYS  22           2HB      LYS  22   4.775  -7.275   0.081
  137    HG2  LYS  22           1HG      LYS  22   2.492  -7.075  -0.895
  138    HG3  LYS  22           2HG      LYS  22   2.940  -5.538  -1.647
  139    HD2  LYS  22           1HD      LYS  22   4.233  -8.243  -2.225
  140    HD3  LYS  22           2HD      LYS  22   2.967  -7.485  -3.201
  141    HE2  LYS  22           1HE      LYS  22   4.464  -5.540  -3.632
  142    HE3  LYS  22           2HE      LYS  22   5.747  -6.331  -2.704
  143    HZ1  LYS  22           3HZ      LYS  22   4.521  -7.427  -5.181
  144    HZ2  LYS  22           1HZ      LYS  22   5.707  -8.153  -4.324
  145    HZ3  LYS  22           2HZ      LYS  22   5.997  -6.742  -5.087
  146    H    ASN  23           H        ASN  23   4.151  -6.864   3.155
  147    HA   ASN  23           HA       ASN  23   1.604  -8.179   3.302
  148    HB2  ASN  23           1HB      ASN  23   3.672  -8.844   4.549
  149    HB3  ASN  23           2HB      ASN  23   3.526  -7.399   5.551
  150   HD21  ASN  23          1HD2      ASN  23   2.116 -10.565   4.818
  151   HD22  ASN  23          2HD2      ASN  23   1.107 -10.622   6.251
  152    H    CYS  24           H        CYS  24   2.692  -5.002   4.570
  153    HA   CYS  24           HA       CYS  24   0.182  -4.432   5.928
  154    HB2  CYS  24           1HB      CYS  24   2.475  -3.483   6.506
  155    HB3  CYS  24           2HB      CYS  24   2.356  -2.489   5.044
  156    HG   CYS  24           HG       CYS  24   0.313  -2.649   7.674
  157    H    LEU  25           H        LEU  25   1.590  -3.523   2.733
  158    HA   LEU  25           HA       LEU  25  -0.580  -2.000   1.872
  159    HB2  LEU  25           1HB      LEU  25   1.619  -2.042   0.754
  160    HB3  LEU  25           2HB      LEU  25   1.324  -3.705   0.229
  161    HG   LEU  25           HG       LEU  25  -0.631  -2.933  -1.119
  162   HD11  LEU  25          1HD1      LEU  25  -1.260  -0.893   0.126
  163   HD12  LEU  25          2HD1      LEU  25  -0.904  -0.516  -1.548
  164   HD13  LEU  25          3HD1      LEU  25   0.300  -0.141  -0.297
  165   HD21  LEU  25          3HD2      LEU  25   1.664  -3.119  -2.079
  166   HD22  LEU  25          1HD2      LEU  25   1.884  -1.382  -1.755
  167   HD23  LEU  25          2HD2      LEU  25   0.632  -1.927  -2.887
  168    H    LYS  26           H        LYS  26  -0.065  -5.545   1.512
  169    HA   LYS  26           HA       LYS  26  -2.458  -6.148   0.088
  170    HB2  LYS  26           1HB      LYS  26  -0.542  -7.690   0.444
  171    HB3  LYS  26           2HB      LYS  26  -0.971  -7.838   2.154
  172    HG2  LYS  26           1HG      LYS  26  -3.152  -8.831   1.529
  173    HG3  LYS  26           2HG      LYS  26  -2.767  -8.619  -0.190
  174    HD2  LYS  26           1HD      LYS  26  -0.827 -10.147   0.061
  175    HD3  LYS  26           2HD      LYS  26  -1.208 -10.350   1.786
  176    HE2  LYS  26           1HE      LYS  26  -3.436 -11.272   1.182
  177    HE3  LYS  26           2HE      LYS  26  -3.064 -11.063  -0.534
  178    HZ1  LYS  26           3HZ      LYS  26  -2.633 -13.340   0.192
  179    HZ2  LYS  26           1HZ      LYS  26  -1.572 -12.842   1.325
  180    HZ3  LYS  26           2HZ      LYS  26  -1.228 -12.647  -0.260
  181    H    ARG  27           H        ARG  27  -1.920  -5.904   3.614
  182    HA   ARG  27           HA       ARG  27  -4.633  -6.444   4.389
  183    HB2  ARG  27           1HB      ARG  27  -2.563  -6.543   5.792
  184    HB3  ARG  27           2HB      ARG  27  -2.539  -4.777   5.854
  185    HG2  ARG  27           1HG      ARG  27  -4.721  -4.766   6.998
  186    HG3  ARG  27           2HG      ARG  27  -4.837  -6.527   6.854
  187    HD2  ARG  27           1HD      ARG  27  -2.675  -5.028   8.411
  188    HD3  ARG  27           2HD      ARG  27  -4.117  -5.748   9.112
  189    HE   ARG  27           HE       ARG  27  -3.318  -7.939   8.677
  190   HH11  ARG  27          2HH1      ARG  27  -0.812  -5.587   7.902
  191   HH12  ARG  27          1HH1      ARG  27   0.367  -6.868   7.640
  192   HH21  ARG  27          2HH2      ARG  27  -1.663  -9.440   8.438
  193   HH22  ARG  27          1HH2      ARG  27  -0.071  -8.862   7.972
  194    H    HIS  28           H        HIS  28  -3.056  -3.321   3.556
  195    HA   HIS  28           HA       HIS  28  -5.377  -1.677   3.947
  196    HB2  HIS  28           1HB      HIS  28  -3.331  -0.553   3.646
  197    HB3  HIS  28           2HB      HIS  28  -2.921  -1.438   2.189
  198    HD1  HIS  28           1HD      HIS  28  -4.959   1.572   3.294
  199    HD2  HIS  28           2HD      HIS  28  -4.065  -0.666  -0.148
  200    HE1  HIS  28           1HE      HIS  28  -5.817   2.939   1.343
  201    H    VAL  29           H        VAL  29  -4.285  -3.434   0.971
  202    HA   VAL  29           HA       VAL  29  -6.512  -2.630  -0.625
  203    HB   VAL  29           HB       VAL  29  -4.731  -5.087  -0.842
  204   HG11  VAL  29          1HG1      VAL  29  -6.802  -5.533  -2.099
  205   HG12  VAL  29          2HG1      VAL  29  -6.695  -3.930  -2.868
  206   HG13  VAL  29          3HG1      VAL  29  -5.483  -5.180  -3.215
  207   HG21  VAL  29          3HG2      VAL  29  -3.580  -2.867  -1.132
  208   HG22  VAL  29          1HG2      VAL  29  -3.614  -3.814  -2.617
  209   HG23  VAL  29          2HG2      VAL  29  -4.738  -2.458  -2.405
  210    H    ILE  30           H        ILE  30  -6.157  -5.498   1.499
  211    HA   ILE  30           HA       ILE  30  -8.756  -6.596   1.011
  212    HB   ILE  30           HB       ILE  30  -6.882  -6.729   3.399
  213   HG12  ILE  30          1HG1      ILE  30  -7.610  -8.891   1.379
  214   HG13  ILE  30          2HG1      ILE  30  -6.273  -7.793   1.111
  215   HG21  ILE  30          1HG2      ILE  30  -8.250  -8.657   4.208
  216   HG22  ILE  30          2HG2      ILE  30  -9.142  -7.151   4.272
  217   HG23  ILE  30          3HG2      ILE  30  -9.460  -8.307   2.958
  218   HD11  ILE  30          3HD1      ILE  30  -5.206  -8.571   3.234
  219   HD12  ILE  30          1HD1      ILE  30  -6.500  -9.780   3.404
  220   HD13  ILE  30          2HD1      ILE  30  -5.411  -9.847   2.016
  221    H    GLN  31           H        GLN  31  -7.691  -4.254   3.544
  222    HA   GLN  31           HA       GLN  31 -10.291  -4.110   4.723
  223    HB2  GLN  31           1HB      GLN  31  -8.178  -3.796   5.935
  224    HB3  GLN  31           2HB      GLN  31  -7.841  -2.332   5.012
  225    HG2  GLN  31           1HG      GLN  31  -8.616  -1.774   7.243
  226    HG3  GLN  31           2HG      GLN  31  -9.773  -1.199   6.058
  227   HE21  GLN  31          1HE2      GLN  31 -11.850  -2.423   5.839
  228   HE22  GLN  31          2HE2      GLN  31 -12.401  -3.371   7.221
  229    H    LYS  32           H        LYS  32  -8.705  -1.993   2.342
  230    HA   LYS  32           HA       LYS  32 -10.981  -0.056   2.481
  231    HB2  LYS  32           1HB      LYS  32  -8.188   0.237   1.299
  232    HB3  LYS  32           2HB      LYS  32  -9.398   1.507   1.415
  233    HG2  LYS  32           1HG      LYS  32  -8.043   0.123   3.774
  234    HG3  LYS  32           2HG      LYS  32  -7.697   1.736   3.149
  235    HD2  LYS  32           1HD      LYS  32 -10.033   2.441   3.701
  236    HD3  LYS  32           2HD      LYS  32 -10.314   0.847   4.439
  237    HE2  LYS  32           1HE      LYS  32  -8.451   1.237   6.021
  238    HE3  LYS  32           2HE      LYS  32  -8.136   2.809   5.278
  239    HZ1  LYS  32           3HZ      LYS  32  -9.501   3.037   7.274
  240    HZ2  LYS  32           1HZ      LYS  32 -10.663   2.070   6.661
  241    HZ3  LYS  32           2HZ      LYS  32 -10.357   3.523   5.975
  242    H    HIS  33           H        HIS  33  -9.557  -2.301   0.203
  243    HA   HIS  33           HA       HIS  33 -11.411  -1.264  -1.918
  244    HB2  HIS  33           1HB      HIS  33  -8.683  -2.527  -2.312
  245    HB3  HIS  33           2HB      HIS  33  -9.723  -1.838  -3.551
  246    HD1  HIS  33           1HD      HIS  33 -10.363   0.999  -2.356
  247    HD2  HIS  33           2HD      HIS  33  -6.643  -0.938  -2.176
  248    HE1  HIS  33           1HE      HIS  33  -8.649   2.836  -2.002
  249    H    SER  34           H        SER  34 -10.667  -4.002  -0.029
  250    HA   SER  34           HA       SER  34 -11.070  -6.189  -0.098
  251    HB2  SER  34           1HB      SER  34 -13.412  -6.848  -0.398
  252    HB3  SER  34           2HB      SER  34 -13.167  -5.442   0.634
  253    HG   SER  34           HG       SER  34 -13.793  -4.106  -1.104
  254    H    ASN  35           H        ASN  35  -9.638  -5.411  -2.373
  255    HA   ASN  35           HA       ASN  35  -8.911  -6.012  -4.392
  256    HB2  ASN  35           1HB      ASN  35  -8.529  -8.092  -2.993
  257    HB3  ASN  35           2HB      ASN  35  -9.955  -8.787  -3.765
  258   HD21  ASN  35          2HD2      ASN  35  -8.617 -10.485  -4.655
  259   HD22  ASN  35          1HD2      ASN  35  -7.535 -10.144  -5.998
  260    H    ILE  36           H        ILE  36 -11.636  -4.936  -4.378
  261    HA   ILE  36           HA       ILE  36 -12.911  -6.146  -6.763
  262    HB   ILE  36           HB       ILE  36 -13.668  -3.730  -5.089
  263   HG12  ILE  36          1HG1      ILE  36 -13.888  -5.741  -3.756
  264   HG13  ILE  36          2HG1      ILE  36 -15.466  -5.105  -4.161
  265   HG21  ILE  36          1HG2      ILE  36 -15.185  -5.111  -7.342
  266   HG22  ILE  36          2HG2      ILE  36 -15.905  -3.952  -6.204
  267   HG23  ILE  36          3HG2      ILE  36 -14.616  -3.428  -7.283
  268   HD11  ILE  36          3HD1      ILE  36 -15.455  -7.542  -4.280
  269   HD12  ILE  36          1HD1      ILE  36 -15.735  -6.880  -5.898
  270   HD13  ILE  36          2HD1      ILE  36 -14.134  -7.528  -5.456
  271    H    LEU  37           H        LEU  37 -13.029  -5.195  -8.756
  272    HA   LEU  37           HA       LEU  37 -11.769  -2.627  -9.340
  273    HB2  LEU  37           1HB      LEU  37 -10.285  -3.557 -11.101
  274    HB3  LEU  37           2HB      LEU  37  -9.826  -3.953  -9.461
  275    HG   LEU  37           HG       LEU  37 -10.712  -6.270  -9.760
  276   HD11  LEU  37          1HD1      LEU  37 -11.053  -7.075 -12.107
  277   HD12  LEU  37          2HD1      LEU  37 -11.084  -5.383 -12.655
  278   HD13  LEU  37          3HD1      LEU  37 -12.338  -6.005 -11.556
  279   HD21  LEU  37          3HD2      LEU  37  -8.341  -5.699 -10.102
  280   HD22  LEU  37          1HD2      LEU  37  -8.664  -5.341 -11.814
  281   HD23  LEU  37          2HD2      LEU  37  -8.853  -6.996 -11.191
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  11.899  19.559  -4.896
    2    H2   GLY   1           2H       GLY   1  12.253  17.966  -5.063
    3    H3   GLY   1           3H       GLY   1  10.696  18.469  -5.122
    4    HA2  GLY   1           1HA      GLY   1  11.086  19.681  -7.159
    5    HA3  GLY   1           2HA      GLY   1  12.782  19.164  -7.090
    6    H    SER   2           H        SER   2  10.812  18.663  -9.211
    7    HA   SER   2           HA       SER   2   9.725  16.027  -9.078
    8    HB2  SER   2           1HB      SER   2   9.375  16.338 -11.519
    9    HB3  SER   2           2HB      SER   2   8.806  17.700 -10.540
   10    HG   SER   2           HG       SER   2  10.012  18.383 -12.385
   11    H    SER   3           H        SER   3  12.987  16.995  -9.734
   12    HA   SER   3           HA       SER   3  13.817  14.565 -11.115
   13    HB2  SER   3           1HB      SER   3  16.093  15.491 -10.709
   14    HB3  SER   3           2HB      SER   3  14.997  16.623 -11.516
   15    HG   SER   3           HG       SER   3  16.177  17.607  -9.790
   16    H    GLY   4           H        GLY   4  12.973  15.123  -7.870
   17    HA2  GLY   4           1HA      GLY   4  14.935  13.531  -6.485
   18    HA3  GLY   4           2HA      GLY   4  13.353  14.018  -5.886
   19    H    SER   5           H        SER   5  14.248  11.644  -5.123
   20    HA   SER   5           HA       SER   5  12.412   9.695  -6.374
   21    HB2  SER   5           1HB      SER   5  14.697   9.456  -7.448
   22    HB3  SER   5           2HB      SER   5  15.322   8.989  -5.855
   23    HG   SER   5           HG       SER   5  14.682   7.186  -7.176
   24    H    SER   6           H        SER   6  12.298   7.667  -5.019
   25    HA   SER   6           HA       SER   6  12.820   7.984  -2.137
   26    HB2  SER   6           1HB      SER   6  10.603   9.169  -2.709
   27    HB3  SER   6           2HB      SER   6   9.963   7.559  -3.070
   28    HG   SER   6           HG       SER   6  10.867   8.655  -0.612
   29    H    GLY   7           H        GLY   7  11.858   6.020  -0.927
   30    HA2  GLY   7           1HA      GLY   7  11.578   3.495  -2.299
   31    HA3  GLY   7           2HA      GLY   7  13.225   3.707  -1.701
   32    H    HIS   8           H        HIS   8  12.518   1.715  -0.532
   33    HA   HIS   8           HA       HIS   8  11.907   0.535   1.270
   34    HB2  HIS   8           1HB      HIS   8  13.485   2.376   2.170
   35    HB3  HIS   8           2HB      HIS   8  12.055   3.037   2.949
   36    HD1  HIS   8           1HD      HIS   8  10.745   0.848   4.456
   37    HD2  HIS   8           2HD      HIS   8  14.874   0.837   3.691
   38    HE1  HIS   8           1HE      HIS   8  11.800  -0.676   6.237
   39    H    LEU   9           H        LEU   9   9.707   1.854  -0.270
   40    HA   LEU   9           HA       LEU   9   7.461   1.307   1.593
   41    HB2  LEU   9           1HB      LEU   9   7.820   3.777  -0.157
   42    HB3  LEU   9           2HB      LEU   9   6.265   3.287   0.499
   43    HG   LEU   9           HG       LEU   9   8.675   4.011   2.221
   44   HD11  LEU   9          1HD1      LEU   9   7.460   6.106   2.656
   45   HD12  LEU   9          2HD1      LEU   9   6.199   5.629   1.496
   46   HD13  LEU   9          3HD1      LEU   9   7.857   5.944   0.939
   47   HD21  LEU   9          3HD2      LEU   9   6.990   4.164   4.031
   48   HD22  LEU   9          1HD2      LEU   9   7.074   2.527   3.378
   49   HD23  LEU   9          2HD2      LEU   9   5.730   3.596   2.914
   50    H    TYR  10           H        TYR  10   5.632   0.543   0.664
   51    HA   TYR  10           HA       TYR  10   5.632  -0.091  -2.260
   52    HB2  TYR  10           1HB      TYR  10   4.321  -1.601   0.032
   53    HB3  TYR  10           2HB      TYR  10   4.144  -1.971  -1.681
   54    HD1  TYR  10           1HD      TYR  10   6.511  -1.975   1.173
   55    HD2  TYR  10           2HD      TYR  10   5.889  -3.090  -2.944
   56    HE1  TYR  10           1HE      TYR  10   8.577  -3.394   1.238
   57    HE2  TYR  10           2HE      TYR  10   7.925  -4.520  -2.869
   58    HH   TYR  10           HH       TYR  10   9.675  -5.279  -1.598
   59    H    TYR  11           H        TYR  11   3.809   0.476  -3.413
   60    HA   TYR  11           HA       TYR  11   2.019   2.458  -2.070
   61    HB2  TYR  11           1HB      TYR  11   3.160   2.392  -4.883
   62    HB3  TYR  11           2HB      TYR  11   1.984   3.557  -4.300
   63    HD1  TYR  11           1HD      TYR  11   5.500   2.341  -3.792
   64    HD2  TYR  11           2HD      TYR  11   2.648   5.510  -3.112
   65    HE1  TYR  11           1HE      TYR  11   7.321   3.791  -2.932
   66    HE2  TYR  11           2HE      TYR  11   4.482   6.966  -2.260
   67    HH   TYR  11           HH       TYR  11   7.883   5.851  -2.087
   68    H    CYS  12           H        CYS  12  -0.126   2.526  -2.482
   69    HA   CYS  12           HA       CYS  12  -1.496   0.148  -3.186
   70    HB2  CYS  12           1HB      CYS  12  -2.244   1.862  -1.595
   71    HB3  CYS  12           2HB      CYS  12  -2.463   3.014  -2.922
   72    H    SER  13           H        SER  13  -2.938  -0.304  -4.838
   73    HA   SER  13           HA       SER  13  -2.147   0.612  -7.534
   74    HB2  SER  13           1HB      SER  13  -3.492  -1.310  -8.298
   75    HB3  SER  13           2HB      SER  13  -2.225  -1.773  -7.152
   76    HG   SER  13           HG       SER  13  -4.224  -2.769  -6.649
   77    H    GLN  14           H        GLN  14  -4.604   1.352  -5.258
   78    HA   GLN  14           HA       GLN  14  -6.364   2.480  -7.422
   79    HB2  GLN  14           1HB      GLN  14  -7.200   1.140  -4.829
   80    HB3  GLN  14           2HB      GLN  14  -8.281   1.982  -5.949
   81    HG2  GLN  14           1HG      GLN  14  -7.536   0.356  -7.756
   82    HG3  GLN  14           2HG      GLN  14  -6.684  -0.548  -6.503
   83   HE21  GLN  14          1HE2      GLN  14  -8.176  -2.320  -7.329
   84   HE22  GLN  14          2HE2      GLN  14  -9.787  -2.390  -6.624
   85    H    CYS  15           H        CYS  15  -4.578   3.347  -4.591
   86    HA   CYS  15           HA       CYS  15  -5.645   6.070  -4.804
   87    HB2  CYS  15           1HB      CYS  15  -6.249   6.337  -2.517
   88    HB3  CYS  15           2HB      CYS  15  -7.123   4.952  -3.147
   89    H    HIS  16           H        HIS  16  -4.448   7.312  -2.761
   90    HA   HIS  16           HA       HIS  16  -1.677   7.391  -3.688
   91    HB2  HIS  16           1HB      HIS  16  -3.382   9.331  -3.295
   92    HB3  HIS  16           2HB      HIS  16  -2.907   9.208  -1.605
   93    HD1  HIS  16           1HD      HIS  16   0.216   9.025  -1.857
   94    HD2  HIS  16           2HD      HIS  16  -2.268  11.439  -4.234
   95    HE1  HIS  16           1HE      HIS  16   1.696  10.926  -2.737
   96    H    TYR  17           H        TYR  17  -3.093   5.563  -1.274
   97    HA   TYR  17           HA       TYR  17  -1.426   5.971   0.989
   98    HB2  TYR  17           1HB      TYR  17  -3.566   4.795   1.040
   99    HB3  TYR  17           2HB      TYR  17  -2.913   3.513   0.027
  100    HD1  TYR  17           1HD      TYR  17  -2.938   4.971   3.426
  101    HD2  TYR  17           2HD      TYR  17  -1.421   1.802   0.923
  102    HE1  TYR  17           1HE      TYR  17  -2.256   3.695   5.452
  103    HE2  TYR  17           2HE      TYR  17  -0.723   0.534   2.953
  104    HH   TYR  17           HH       TYR  17  -1.307   1.779   6.266
  105    H    SER  18           H        SER  18   0.358   4.920   1.815
  106    HA   SER  18           HA       SER  18   1.622   2.743   0.377
  107    HB2  SER  18           1HB      SER  18   3.861   3.744   0.266
  108    HB3  SER  18           2HB      SER  18   2.698   4.622  -0.734
  109    HG   SER  18           HG       SER  18   2.562   6.213   0.868
  110    H    SER  19           H        SER  19   3.124   1.544   1.607
  111    HA   SER  19           HA       SER  19   3.590   2.282   4.427
  112    HB2  SER  19           1HB      SER  19   2.673   0.185   5.302
  113    HB3  SER  19           2HB      SER  19   1.430   1.176   4.533
  114    HG   SER  19           HG       SER  19   1.269  -1.015   3.922
  115    H    ILE  20           H        ILE  20   5.003   0.769   5.570
  116    HA   ILE  20           HA       ILE  20   7.205  -0.229   3.892
  117    HB   ILE  20           HB       ILE  20   6.825  -0.292   6.912
  118   HG12  ILE  20          1HG1      ILE  20   8.477   1.604   5.174
  119   HG13  ILE  20          2HG1      ILE  20   6.975   2.020   5.996
  120   HG21  ILE  20          1HG2      ILE  20   8.370  -2.062   6.151
  121   HG22  ILE  20          2HG2      ILE  20   9.287  -0.878   5.196
  122   HG23  ILE  20          3HG2      ILE  20   9.264  -0.808   6.974
  123   HD11  ILE  20          3HD1      ILE  20   9.627   1.373   7.316
  124   HD12  ILE  20          1HD1      ILE  20   8.751   2.907   7.294
  125   HD13  ILE  20          2HD1      ILE  20   8.084   1.534   8.198
  126    H    THR  21           H        THR  21   7.606  -2.315   3.447
  127    HA   THR  21           HA       THR  21   7.319  -4.485   2.987
  128    HB   THR  21           HB       THR  21   5.958  -4.717   5.679
  129    HG1  THR  21           1HG      THR  21   8.035  -5.283   6.325
  130   HG21  THR  21          3HG2      THR  21   5.542  -6.739   4.375
  131   HG22  THR  21          1HG2      THR  21   6.791  -7.067   5.573
  132   HG23  THR  21          2HG2      THR  21   7.250  -6.813   3.874
  133    H    LYS  22           H        LYS  22   6.160  -5.389   1.459
  134    HA   LYS  22           HA       LYS  22   3.632  -4.403   0.698
  135    HB2  LYS  22           1HB      LYS  22   5.444  -5.451  -0.722
  136    HB3  LYS  22           2HB      LYS  22   4.869  -7.037  -0.195
  137    HG2  LYS  22           1HG      LYS  22   2.650  -6.563  -1.198
  138    HG3  LYS  22           2HG      LYS  22   3.185  -4.926  -1.630
  139    HD2  LYS  22           1HD      LYS  22   4.937  -5.886  -3.104
  140    HD3  LYS  22           2HD      LYS  22   4.403  -7.525  -2.668
  141    HE2  LYS  22           1HE      LYS  22   2.144  -7.023  -3.584
  142    HE3  LYS  22           2HE      LYS  22   2.681  -5.398  -4.024
  143    HZ1  LYS  22           3HZ      LYS  22   4.314  -6.418  -5.525
  144    HZ2  LYS  22           1HZ      LYS  22   2.811  -6.914  -5.916
  145    HZ3  LYS  22           2HZ      LYS  22   3.816  -7.921  -5.117
  146    H    ASN  23           H        ASN  23   4.314  -7.174   2.756
  147    HA   ASN  23           HA       ASN  23   1.693  -8.331   2.717
  148    HB2  ASN  23           1HB      ASN  23   3.832  -9.387   3.570
  149    HB3  ASN  23           2HB      ASN  23   3.727  -8.338   4.987
  150   HD21  ASN  23          1HD2      ASN  23   3.202  -9.768   6.641
  151   HD22  ASN  23          2HD2      ASN  23   1.858 -10.893   6.552
  152    H    CYS  24           H        CYS  24   2.862  -5.404   4.308
  153    HA   CYS  24           HA       CYS  24   0.482  -5.140   6.028
  154    HB2  CYS  24           1HB      CYS  24   2.721  -3.188   5.343
  155    HB3  CYS  24           2HB      CYS  24   1.459  -2.937   6.557
  156    HG   CYS  24           HG       CYS  24   3.812  -3.561   7.652
  157    H    LEU  25           H        LEU  25   1.720  -3.684   2.961
  158    HA   LEU  25           HA       LEU  25  -0.475  -2.076   2.373
  159    HB2  LEU  25           1HB      LEU  25   1.669  -2.011   1.157
  160    HB3  LEU  25           2HB      LEU  25   1.357  -3.618   0.503
  161    HG   LEU  25           HG       LEU  25  -0.638  -2.731  -0.721
  162   HD11  LEU  25          1HD1      LEU  25  -0.853  -0.273  -0.985
  163   HD12  LEU  25          2HD1      LEU  25   0.375  -0.030   0.279
  164   HD13  LEU  25          3HD1      LEU  25  -1.194  -0.776   0.669
  165   HD21  LEU  25          3HD2      LEU  25   1.914  -1.215  -1.295
  166   HD22  LEU  25          1HD2      LEU  25   0.612  -1.611  -2.438
  167   HD23  LEU  25          2HD2      LEU  25   1.611  -2.906  -1.760
  168    H    LYS  26           H        LYS  26  -0.023  -5.556   1.713
  169    HA   LYS  26           HA       LYS  26  -2.316  -6.218   0.273
  170    HB2  LYS  26           1HB      LYS  26  -0.455  -7.740   1.043
  171    HB3  LYS  26           2HB      LYS  26  -1.173  -7.734   2.654
  172    HG2  LYS  26           1HG      LYS  26  -3.302  -8.705   1.584
  173    HG3  LYS  26           2HG      LYS  26  -2.371  -8.837   0.084
  174    HD2  LYS  26           1HD      LYS  26  -2.222 -10.977   1.104
  175    HD3  LYS  26           2HD      LYS  26  -0.658 -10.210   1.417
  176    HE2  LYS  26           1HE      LYS  26  -1.626  -9.484   3.695
  177    HE3  LYS  26           2HE      LYS  26  -3.024 -10.502   3.328
  178    HZ1  LYS  26           3HZ      LYS  26  -0.209 -11.366   3.675
  179    HZ2  LYS  26           1HZ      LYS  26  -1.381 -12.380   3.108
  180    HZ3  LYS  26           2HZ      LYS  26  -1.473 -11.763   4.619
  181    H    ARG  27           H        ARG  27  -2.153  -5.769   3.832
  182    HA   ARG  27           HA       ARG  27  -4.937  -6.355   4.295
  183    HB2  ARG  27           1HB      ARG  27  -3.074  -6.520   5.975
  184    HB3  ARG  27           2HB      ARG  27  -3.021  -4.751   6.050
  185    HG2  ARG  27           1HG      ARG  27  -5.360  -4.703   6.862
  186    HG3  ARG  27           2HG      ARG  27  -5.462  -6.469   6.702
  187    HD2  ARG  27           1HD      ARG  27  -3.649  -6.717   8.373
  188    HD3  ARG  27           2HD      ARG  27  -3.553  -4.950   8.529
  189    HE   ARG  27           HE       ARG  27  -6.245  -5.732   9.004
  190   HH11  ARG  27          2HH1      ARG  27  -3.153  -6.075  10.619
  191   HH12  ARG  27          1HH1      ARG  27  -3.887  -6.189  12.196
  192   HH21  ARG  27          2HH2      ARG  27  -7.114  -5.885  11.043
  193   HH22  ARG  27          1HH2      ARG  27  -6.071  -6.083  12.421
  194    H    HIS  28           H        HIS  28  -3.286  -3.265   3.592
  195    HA   HIS  28           HA       HIS  28  -5.598  -1.570   3.947
  196    HB2  HIS  28           1HB      HIS  28  -3.483  -0.512   3.731
  197    HB3  HIS  28           2HB      HIS  28  -3.094  -1.352   2.244
  198    HD1  HIS  28           1HD      HIS  28  -4.985   1.700   3.443
  199    HD2  HIS  28           2HD      HIS  28  -4.238  -0.500  -0.060
  200    HE1  HIS  28           1HE      HIS  28  -5.766   3.169   1.528
  201    H    VAL  29           H        VAL  29  -4.450  -3.501   1.137
  202    HA   VAL  29           HA       VAL  29  -6.611  -2.718  -0.590
  203    HB   VAL  29           HB       VAL  29  -4.923  -5.237  -0.730
  204   HG11  VAL  29          1HG1      VAL  29  -6.553  -3.832  -2.882
  205   HG12  VAL  29          2HG1      VAL  29  -5.515  -5.250  -3.108
  206   HG13  VAL  29          3HG1      VAL  29  -6.978  -5.388  -2.129
  207   HG21  VAL  29          3HG2      VAL  29  -4.601  -2.535  -2.125
  208   HG22  VAL  29          1HG2      VAL  29  -3.539  -3.164  -0.856
  209   HG23  VAL  29          2HG2      VAL  29  -3.613  -3.982  -2.411
  210    H    ILE  30           H        ILE  30  -6.362  -5.474   1.733
  211    HA   ILE  30           HA       ILE  30  -8.981  -6.507   1.167
  212    HB   ILE  30           HB       ILE  30  -7.678  -6.517   3.913
  213   HG12  ILE  30          1HG1      ILE  30  -5.980  -7.500   2.632
  214   HG13  ILE  30          2HG1      ILE  30  -6.848  -8.819   3.350
  215   HG21  ILE  30          1HG2      ILE  30  -8.977  -8.623   4.197
  216   HG22  ILE  30          2HG2      ILE  30 -10.014  -7.226   3.941
  217   HG23  ILE  30          3HG2      ILE  30  -9.725  -8.361   2.608
  218   HD11  ILE  30          3HD1      ILE  30  -6.243  -9.353   1.069
  219   HD12  ILE  30          1HD1      ILE  30  -8.011  -9.221   1.165
  220   HD13  ILE  30          2HD1      ILE  30  -7.045  -7.904   0.450
  221    H    GLN  31           H        GLN  31  -7.941  -3.994   3.504
  222    HA   GLN  31           HA       GLN  31 -10.528  -3.677   4.656
  223    HB2  GLN  31           1HB      GLN  31  -8.333  -3.233   5.763
  224    HB3  GLN  31           2HB      GLN  31  -8.106  -1.832   4.720
  225    HG2  GLN  31           1HG      GLN  31  -8.850  -1.082   6.880
  226    HG3  GLN  31           2HG      GLN  31 -10.130  -0.765   5.724
  227   HE21  GLN  31          1HE2      GLN  31 -11.361  -0.589   7.889
  228   HE22  GLN  31          2HE2      GLN  31 -12.027  -2.088   8.520
  229    H    LYS  32           H        LYS  32  -8.865  -1.750   2.146
  230    HA   LYS  32           HA       LYS  32 -11.228   0.086   1.964
  231    HB2  LYS  32           1HB      LYS  32  -8.353   0.447   1.030
  232    HB3  LYS  32           2HB      LYS  32  -9.626   1.658   0.938
  233    HG2  LYS  32           1HG      LYS  32  -8.398   0.529   3.490
  234    HG3  LYS  32           2HG      LYS  32  -8.127   2.121   2.785
  235    HD2  LYS  32           1HD      LYS  32 -10.587   2.636   3.117
  236    HD3  LYS  32           2HD      LYS  32 -10.754   1.077   3.927
  237    HE2  LYS  32           1HE      LYS  32 -10.544   2.636   5.666
  238    HE3  LYS  32           2HE      LYS  32  -8.989   1.806   5.584
  239    HZ1  LYS  32           3HZ      LYS  32  -9.571   4.489   4.429
  240    HZ2  LYS  32           1HZ      LYS  32  -8.114   3.749   4.370
  241    HZ3  LYS  32           2HZ      LYS  32  -8.735   4.222   5.800
  242    H    HIS  33           H        HIS  33  -9.676  -2.353   0.071
  243    HA   HIS  33           HA       HIS  33 -11.156  -1.475  -2.369
  244    HB2  HIS  33           1HB      HIS  33  -8.299  -2.470  -2.292
  245    HB3  HIS  33           2HB      HIS  33  -9.189  -1.928  -3.709
  246    HD1  HIS  33           1HD      HIS  33 -10.121   0.878  -3.165
  247    HD2  HIS  33           2HD      HIS  33  -6.610  -0.716  -1.511
  248    HE1  HIS  33           1HE      HIS  33  -8.723   2.880  -2.459
  249    H    SER  34           H        SER  34 -12.082  -3.458  -0.550
  250    HA   SER  34           HA       SER  34 -11.376  -6.116  -1.151
  251    HB2  SER  34           1HB      SER  34 -13.578  -6.684  -0.154
  252    HB3  SER  34           2HB      SER  34 -12.654  -5.525   0.812
  253    HG   SER  34           HG       SER  34 -14.862  -4.905   0.574
  254    H    ASN  35           H        ASN  35 -13.438  -3.977  -3.021
  255    HA   ASN  35           HA       ASN  35 -14.508  -6.102  -4.735
  256    HB2  ASN  35           1HB      ASN  35 -15.777  -4.028  -4.184
  257    HB3  ASN  35           2HB      ASN  35 -14.571  -3.074  -5.051
  258   HD21  ASN  35          1HD2      ASN  35 -16.639  -2.426  -6.225
  259   HD22  ASN  35          2HD2      ASN  35 -17.113  -3.438  -7.583
  260    H    ILE  36           H        ILE  36 -12.247  -6.960  -4.996
  261    HA   ILE  36           HA       ILE  36 -10.987  -5.906  -7.455
  262    HB   ILE  36           HB       ILE  36  -9.733  -5.188  -5.469
  263   HG12  ILE  36          1HG1      ILE  36  -8.206  -7.255  -7.079
  264   HG13  ILE  36          2HG1      ILE  36  -8.727  -5.678  -7.683
  265   HG21  ILE  36          1HG2      ILE  36  -8.534  -6.731  -4.021
  266   HG22  ILE  36          2HG2      ILE  36 -10.248  -7.117  -3.947
  267   HG23  ILE  36          3HG2      ILE  36  -9.158  -8.135  -4.912
  268   HD11  ILE  36          3HD1      ILE  36  -6.771  -6.172  -5.396
  269   HD12  ILE  36          1HD1      ILE  36  -6.402  -5.533  -7.005
  270   HD13  ILE  36          2HD1      ILE  36  -7.379  -4.569  -5.879
  271    H    LEU  37           H        LEU  37 -10.185  -7.400  -8.875
  272    HA   LEU  37           HA       LEU  37 -11.178 -10.189  -8.576
  273    HB2  LEU  37           1HB      LEU  37 -10.569  -8.475 -11.021
  274    HB3  LEU  37           2HB      LEU  37 -10.939 -10.179 -11.090
  275    HG   LEU  37           HG       LEU  37 -12.844  -8.970 -11.745
  276   HD11  LEU  37          1HD1      LEU  37 -14.551  -9.863 -10.279
  277   HD12  LEU  37          2HD1      LEU  37 -13.393 -10.019  -8.946
  278   HD13  LEU  37          3HD1      LEU  37 -13.218 -11.023 -10.404
  279   HD21  LEU  37          3HD2      LEU  37 -12.400  -6.828 -10.535
  280   HD22  LEU  37          1HD2      LEU  37 -13.034  -7.587  -9.053
  281   HD23  LEU  37          2HD2      LEU  37 -14.079  -7.388 -10.464
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1  12.196  23.809  -9.074
    2    H2   GLY   1           2H       GLY   1  10.585  24.086  -8.955
    3    H3   GLY   1           3H       GLY   1  11.175  23.189 -10.193
    4    HA2  GLY   1           1HA      GLY   1  11.235  22.435  -7.341
    5    HA3  GLY   1           2HA      GLY   1  10.146  21.754  -8.564
    6    H    SER   2           H        SER   2  10.985  19.654  -8.076
    7    HA   SER   2           HA       SER   2  13.388  18.944  -9.639
    8    HB2  SER   2           1HB      SER   2  14.258  19.326  -7.361
    9    HB3  SER   2           2HB      SER   2  13.072  18.179  -6.709
   10    HG   SER   2           HG       SER   2  15.217  17.301  -7.136
   11    H    SER   3           H        SER   3  13.432  16.794 -10.315
   12    HA   SER   3           HA       SER   3  10.890  15.286 -10.263
   13    HB2  SER   3           1HB      SER   3  12.022  13.871 -11.948
   14    HB3  SER   3           2HB      SER   3  11.959  15.581 -12.406
   15    HG   SER   3           HG       SER   3  14.040  14.655 -12.763
   16    H    GLY   4           H        GLY   4  13.730  15.365  -8.380
   17    HA2  GLY   4           1HA      GLY   4  14.053  12.534  -7.841
   18    HA3  GLY   4           2HA      GLY   4  14.759  13.867  -6.936
   19    H    SER   5           H        SER   5  13.542  11.369  -6.002
   20    HA   SER   5           HA       SER   5  11.622  12.456  -3.998
   21    HB2  SER   5           1HB      SER   5  11.217   9.902  -5.606
   22    HB3  SER   5           2HB      SER   5  10.265  10.384  -4.193
   23    HG   SER   5           HG       SER   5   9.259  10.959  -6.186
   24    H    SER   6           H        SER   6  11.745  11.532  -1.979
   25    HA   SER   6           HA       SER   6  14.118   9.848  -1.412
   26    HB2  SER   6           1HB      SER   6  13.815  10.686   0.891
   27    HB3  SER   6           2HB      SER   6  14.005  11.980  -0.304
   28    HG   SER   6           HG       SER   6  12.277  12.392   1.168
   29    H    GLY   7           H        GLY   7  10.747   9.356  -1.651
   30    HA2  GLY   7           1HA      GLY   7  10.285   7.570   0.536
   31    HA3  GLY   7           2HA      GLY   7   9.294   7.717  -0.910
   32    H    HIS   8           H        HIS   8  10.271   5.390   0.717
   33    HA   HIS   8           HA       HIS   8  11.246   3.663  -1.515
   34    HB2  HIS   8           1HB      HIS   8  12.753   2.544   0.028
   35    HB3  HIS   8           2HB      HIS   8  13.124   4.259  -0.084
   36    HD1  HIS   8           1HD      HIS   8  11.718   1.703   2.422
   37    HD2  HIS   8           2HD      HIS   8  12.805   5.757   2.119
   38    HE1  HIS   8           1HE      HIS   8  11.722   2.620   4.807
   39    H    LEU   9           H        LEU   9   8.599   4.166   0.094
   40    HA   LEU   9           HA       LEU   9   7.951   1.523   1.212
   41    HB2  LEU   9           1HB      LEU   9   6.479   4.165   0.902
   42    HB3  LEU   9           2HB      LEU   9   5.637   2.692   1.343
   43    HG   LEU   9           HG       LEU   9   6.983   2.412   3.352
   44   HD11  LEU   9          1HD1      LEU   9   8.258   5.083   2.625
   45   HD12  LEU   9          2HD1      LEU   9   9.090   3.516   2.810
   46   HD13  LEU   9          3HD1      LEU   9   8.368   4.294   4.212
   47   HD21  LEU   9          3HD2      LEU   9   4.868   3.672   3.431
   48   HD22  LEU   9          1HD2      LEU   9   5.739   5.177   3.077
   49   HD23  LEU   9          2HD2      LEU   9   6.026   4.318   4.603
   50    H    TYR  10           H        TYR  10   6.051   0.324   0.511
   51    HA   TYR  10           HA       TYR  10   5.784   0.094  -2.431
   52    HB2  TYR  10           1HB      TYR  10   4.522  -1.503  -0.169
   53    HB3  TYR  10           2HB      TYR  10   4.366  -1.846  -1.888
   54    HD1  TYR  10           2HD      TYR  10   6.342  -2.596  -3.231
   55    HD2  TYR  10           1HD      TYR  10   6.524  -2.119   1.050
   56    HE1  TYR  10           2HE      TYR  10   8.438  -3.941  -3.175
   57    HE2  TYR  10           1HE      TYR  10   8.635  -3.474   1.102
   58    HH   TYR  10           HH       TYR  10  10.096  -4.834  -1.865
   59    H    TYR  11           H        TYR  11   4.145   1.043  -3.543
   60    HA   TYR  11           HA       TYR  11   2.077   2.556  -2.031
   61    HB2  TYR  11           1HB      TYR  11   3.315   2.876  -4.764
   62    HB3  TYR  11           2HB      TYR  11   1.765   3.600  -4.384
   63    HD1  TYR  11           1HD      TYR  11   5.344   3.523  -3.269
   64    HD2  TYR  11           2HD      TYR  11   1.571   5.620  -3.173
   65    HE1  TYR  11           1HE      TYR  11   6.449   5.458  -2.170
   66    HE2  TYR  11           2HE      TYR  11   2.687   7.566  -2.089
   67    HH   TYR  11           HH       TYR  11   6.184   7.571  -1.308
   68    H    CYS  12           H        CYS  12  -0.053   2.510  -2.464
   69    HA   CYS  12           HA       CYS  12  -1.312   0.085  -3.263
   70    HB2  CYS  12           1HB      CYS  12  -2.118   1.717  -1.603
   71    HB3  CYS  12           2HB      CYS  12  -2.363   2.910  -2.886
   72    H    SER  13           H        SER  13  -2.556  -0.429  -5.003
   73    HA   SER  13           HA       SER  13  -1.845   0.747  -7.610
   74    HB2  SER  13           1HB      SER  13  -3.678  -1.579  -6.923
   75    HB3  SER  13           2HB      SER  13  -3.128  -1.122  -8.545
   76    HG   SER  13           HG       SER  13  -1.850  -2.803  -7.655
   77    H    GLN  14           H        GLN  14  -4.297   1.325  -5.308
   78    HA   GLN  14           HA       GLN  14  -6.205   2.369  -7.385
   79    HB2  GLN  14           1HB      GLN  14  -6.743   0.791  -4.845
   80    HB3  GLN  14           2HB      GLN  14  -7.998   1.631  -5.766
   81    HG2  GLN  14           1HG      GLN  14  -7.482   0.292  -7.770
   82    HG3  GLN  14           2HG      GLN  14  -6.195  -0.552  -6.906
   83   HE21  GLN  14          1HE2      GLN  14  -6.743  -2.243  -5.435
   84   HE22  GLN  14          2HE2      GLN  14  -8.399  -2.813  -5.300
   85    H    CYS  15           H        CYS  15  -4.384   3.294  -4.613
   86    HA   CYS  15           HA       CYS  15  -5.537   5.964  -4.782
   87    HB2  CYS  15           1HB      CYS  15  -6.144   6.213  -2.478
   88    HB3  CYS  15           2HB      CYS  15  -7.012   4.834  -3.134
   89    H    HIS  16           H        HIS  16  -4.346   7.191  -2.679
   90    HA   HIS  16           HA       HIS  16  -1.546   7.234  -3.554
   91    HB2  HIS  16           1HB      HIS  16  -3.223   9.213  -3.244
   92    HB3  HIS  16           2HB      HIS  16  -2.788   9.113  -1.541
   93    HD1  HIS  16           1HD      HIS  16   0.306   8.890  -1.645
   94    HD2  HIS  16           2HD      HIS  16  -1.998  11.213  -4.282
   95    HE1  HIS  16           1HE      HIS  16   1.876  10.702  -2.561
   96    H    TYR  17           H        TYR  17  -3.042   5.427  -1.200
   97    HA   TYR  17           HA       TYR  17  -1.413   5.773   1.118
   98    HB2  TYR  17           1HB      TYR  17  -3.579   4.619   1.070
   99    HB3  TYR  17           2HB      TYR  17  -2.898   3.352   0.056
  100    HD1  TYR  17           1HD      TYR  17  -3.064   4.729   3.479
  101    HD2  TYR  17           2HD      TYR  17  -1.447   1.620   0.964
  102    HE1  TYR  17           1HE      TYR  17  -2.492   3.381   5.502
  103    HE2  TYR  17           2HE      TYR  17  -0.876   0.279   2.982
  104    HH   TYR  17           HH       TYR  17  -0.862   0.203   5.265
  105    H    SER  18           H        SER  18   0.336   4.579   1.952
  106    HA   SER  18           HA       SER  18   1.679   2.595   0.289
  107    HB2  SER  18           1HB      SER  18   3.862   3.666   0.325
  108    HB3  SER  18           2HB      SER  18   2.676   4.693  -0.486
  109    HG   SER  18           HG       SER  18   3.895   5.950   0.933
  110    H    SER  19           H        SER  19   3.326   1.380   1.376
  111    HA   SER  19           HA       SER  19   3.358   1.486   4.357
  112    HB2  SER  19           1HB      SER  19   2.093  -0.615   2.617
  113    HB3  SER  19           2HB      SER  19   2.992  -1.159   4.037
  114    HG   SER  19           HG       SER  19   1.091   0.928   4.209
  115    H    ILE  20           H        ILE  20   4.910   0.253   5.394
  116    HA   ILE  20           HA       ILE  20   7.332  -0.476   3.849
  117    HB   ILE  20           HB       ILE  20   6.850  -0.598   6.861
  118   HG12  ILE  20          1HG1      ILE  20   8.643   1.276   6.836
  119   HG13  ILE  20          2HG1      ILE  20   8.219   1.529   5.152
  120   HG21  ILE  20          1HG2      ILE  20   8.565  -2.196   6.073
  121   HG22  ILE  20          2HG2      ILE  20   9.395  -0.891   5.196
  122   HG23  ILE  20          3HG2      ILE  20   9.311  -0.887   6.969
  123   HD11  ILE  20          3HD1      ILE  20   5.933   2.203   5.844
  124   HD12  ILE  20          1HD1      ILE  20   6.288   1.725   7.520
  125   HD13  ILE  20          2HD1      ILE  20   7.131   3.096   6.778
  126    H    THR  21           H        THR  21   7.735  -2.544   3.313
  127    HA   THR  21           HA       THR  21   7.391  -4.684   2.734
  128    HB   THR  21           HB       THR  21   6.654  -6.386   4.103
  129    HG1  THR  21           1HG      THR  21   5.316  -4.400   5.574
  130   HG21  THR  21          3HG2      THR  21   8.725  -5.260   4.951
  131   HG22  THR  21          1HG2      THR  21   7.803  -6.140   6.183
  132   HG23  THR  21          2HG2      THR  21   7.711  -4.373   6.115
  133    H    LYS  22           H        LYS  22   5.947  -6.123   1.685
  134    HA   LYS  22           HA       LYS  22   3.557  -4.842   0.609
  135    HB2  LYS  22           1HB      LYS  22   4.687  -7.648   0.252
  136    HB3  LYS  22           2HB      LYS  22   3.286  -7.000  -0.613
  137    HG2  LYS  22           1HG      LYS  22   4.698  -5.162  -1.533
  138    HG3  LYS  22           2HG      LYS  22   6.117  -5.868  -0.737
  139    HD2  LYS  22           1HD      LYS  22   5.796  -7.967  -2.032
  140    HD3  LYS  22           2HD      LYS  22   4.382  -7.247  -2.837
  141    HE2  LYS  22           1HE      LYS  22   5.833  -5.424  -3.723
  142    HE3  LYS  22           2HE      LYS  22   7.234  -6.162  -2.935
  143    HZ1  LYS  22           3HZ      LYS  22   6.900  -8.133  -4.335
  144    HZ2  LYS  22           1HZ      LYS  22   7.088  -6.812  -5.273
  145    HZ3  LYS  22           2HZ      LYS  22   5.603  -7.453  -5.062
  146    H    ASN  23           H        ASN  23   4.089  -7.034   3.292
  147    HA   ASN  23           HA       ASN  23   1.466  -8.146   3.488
  148    HB2  ASN  23           1HB      ASN  23   3.541  -7.521   5.647
  149    HB3  ASN  23           2HB      ASN  23   2.121  -8.538   5.876
  150   HD21  ASN  23          1HD2      ASN  23   2.031 -10.630   4.786
  151   HD22  ASN  23          2HD2      ASN  23   3.515 -11.340   4.170
  152    H    CYS  24           H        CYS  24   2.811  -5.135   4.914
  153    HA   CYS  24           HA       CYS  24   0.361  -4.314   6.177
  154    HB2  CYS  24           1HB      CYS  24   2.878  -2.835   5.350
  155    HB3  CYS  24           2HB      CYS  24   1.570  -2.095   6.290
  156    HG   CYS  24           HG       CYS  24   3.661  -2.818   7.807
  157    H    LEU  25           H        LEU  25   1.532  -3.914   2.845
  158    HA   LEU  25           HA       LEU  25  -0.503  -2.062   2.141
  159    HB2  LEU  25           1HB      LEU  25   1.694  -2.217   0.991
  160    HB3  LEU  25           2HB      LEU  25   1.242  -3.807   0.374
  161    HG   LEU  25           HG       LEU  25  -0.635  -2.795  -0.898
  162   HD11  LEU  25          1HD1      LEU  25   0.462  -0.153   0.175
  163   HD12  LEU  25          2HD1      LEU  25  -1.164  -0.830   0.468
  164   HD13  LEU  25          3HD1      LEU  25  -0.711  -0.315  -1.148
  165   HD21  LEU  25          3HD2      LEU  25   1.628  -3.045  -1.901
  166   HD22  LEU  25          1HD2      LEU  25   2.008  -1.382  -1.395
  167   HD23  LEU  25          2HD2      LEU  25   0.716  -1.689  -2.576
  168    H    LYS  26           H        LYS  26  -0.167  -5.617   1.783
  169    HA   LYS  26           HA       LYS  26  -2.548  -6.101   0.306
  170    HB2  LYS  26           1HB      LYS  26  -0.982  -7.785   2.299
  171    HB3  LYS  26           2HB      LYS  26  -2.411  -8.415   1.502
  172    HG2  LYS  26           1HG      LYS  26   0.038  -7.353   0.024
  173    HG3  LYS  26           2HG      LYS  26  -0.228  -9.045   0.424
  174    HD2  LYS  26           1HD      LYS  26  -1.977  -7.360  -1.425
  175    HD3  LYS  26           2HD      LYS  26  -0.769  -8.550  -1.911
  176    HE2  LYS  26           1HE      LYS  26  -2.057 -10.326  -0.695
  177    HE3  LYS  26           2HE      LYS  26  -3.311  -9.134  -0.324
  178    HZ1  LYS  26           3HZ      LYS  26  -3.866 -10.414  -2.310
  179    HZ2  LYS  26           1HZ      LYS  26  -2.493  -9.958  -3.062
  180    HZ3  LYS  26           2HZ      LYS  26  -3.649  -8.851  -2.728
  181    H    ARG  27           H        ARG  27  -2.200  -5.949   3.877
  182    HA   ARG  27           HA       ARG  27  -4.993  -6.423   4.372
  183    HB2  ARG  27           1HB      ARG  27  -4.626  -5.681   6.621
  184    HB3  ARG  27           2HB      ARG  27  -3.290  -6.708   6.102
  185    HG2  ARG  27           1HG      ARG  27  -1.906  -4.690   5.702
  186    HG3  ARG  27           2HG      ARG  27  -3.242  -3.659   6.261
  187    HD2  ARG  27           1HD      ARG  27  -3.153  -4.860   8.466
  188    HD3  ARG  27           2HD      ARG  27  -1.724  -5.738   7.877
  189    HE   ARG  27           HE       ARG  27  -1.440  -2.855   7.616
  190   HH11  ARG  27          2HH1      ARG  27  -1.152  -5.398  10.013
  191   HH12  ARG  27          1HH1      ARG  27  -0.071  -4.460  11.006
  192   HH21  ARG  27          2HH2      ARG  27  -0.065  -1.715   8.935
  193   HH22  ARG  27          1HH2      ARG  27   0.527  -2.435  10.402
  194    H    HIS  28           H        HIS  28  -3.336  -3.379   3.570
  195    HA   HIS  28           HA       HIS  28  -5.649  -1.689   3.981
  196    HB2  HIS  28           1HB      HIS  28  -3.588  -0.576   3.829
  197    HB3  HIS  28           2HB      HIS  28  -3.094  -1.427   2.376
  198    HD1  HIS  28           1HD      HIS  28  -5.217   1.546   3.434
  199    HD2  HIS  28           2HD      HIS  28  -4.058  -0.583   0.002
  200    HE1  HIS  28           1HE      HIS  28  -5.964   2.956   1.464
  201    H    VAL  29           H        VAL  29  -4.423  -3.397   1.028
  202    HA   VAL  29           HA       VAL  29  -6.576  -2.539  -0.651
  203    HB   VAL  29           HB       VAL  29  -4.847  -5.036  -0.861
  204   HG11  VAL  29          1HG1      VAL  29  -5.435  -4.955  -3.284
  205   HG12  VAL  29          2HG1      VAL  29  -6.839  -5.304  -2.279
  206   HG13  VAL  29          3HG1      VAL  29  -6.611  -3.670  -2.941
  207   HG21  VAL  29          3HG2      VAL  29  -3.546  -2.904  -0.942
  208   HG22  VAL  29          1HG2      VAL  29  -3.563  -3.715  -2.505
  209   HG23  VAL  29          2HG2      VAL  29  -4.612  -2.309  -2.226
  210    H    ILE  30           H        ILE  30  -6.324  -5.409   1.460
  211    HA   ILE  30           HA       ILE  30  -8.888  -6.520   0.828
  212    HB   ILE  30           HB       ILE  30  -7.134  -6.705   3.290
  213   HG12  ILE  30          1HG1      ILE  30  -7.762  -8.795   1.151
  214   HG13  ILE  30          2HG1      ILE  30  -6.403  -7.695   1.011
  215   HG21  ILE  30          1HG2      ILE  30  -9.667  -8.294   2.666
  216   HG22  ILE  30          2HG2      ILE  30  -8.537  -8.644   3.989
  217   HG23  ILE  30          3HG2      ILE  30  -9.457  -7.152   4.016
  218   HD11  ILE  30          3HD1      ILE  30  -5.474  -8.563   3.166
  219   HD12  ILE  30          1HD1      ILE  30  -6.773  -9.782   3.192
  220   HD13  ILE  30          2HD1      ILE  30  -5.589  -9.775   1.878
  221    H    GLN  31           H        GLN  31  -7.972  -4.262   3.508
  222    HA   GLN  31           HA       GLN  31 -10.678  -4.136   4.480
  223    HB2  GLN  31           1HB      GLN  31  -8.179  -2.516   5.069
  224    HB3  GLN  31           2HB      GLN  31  -9.709  -2.286   5.925
  225    HG2  GLN  31           1HG      GLN  31  -9.700  -4.565   6.755
  226    HG3  GLN  31           2HG      GLN  31  -8.282  -4.979   5.804
  227   HE21  GLN  31          1HE2      GLN  31  -7.780  -5.657   8.228
  228   HE22  GLN  31          2HE2      GLN  31  -6.891  -4.437   9.130
  229    H    LYS  32           H        LYS  32  -8.903  -1.986   2.265
  230    HA   LYS  32           HA       LYS  32 -11.121   0.008   2.400
  231    HB2  LYS  32           1HB      LYS  32  -8.315   0.291   1.266
  232    HB3  LYS  32           2HB      LYS  32  -9.495   1.574   1.450
  233    HG2  LYS  32           1HG      LYS  32  -8.064   0.063   3.667
  234    HG3  LYS  32           2HG      LYS  32  -7.856   1.743   3.210
  235    HD2  LYS  32           1HD      LYS  32 -10.292   0.500   4.541
  236    HD3  LYS  32           2HD      LYS  32  -9.121   1.575   5.285
  237    HE2  LYS  32           1HE      LYS  32 -10.977   2.362   2.986
  238    HE3  LYS  32           2HE      LYS  32 -11.323   2.634   4.693
  239    HZ1  LYS  32           3HZ      LYS  32  -9.018   3.814   3.237
  240    HZ2  LYS  32           1HZ      LYS  32  -9.334   4.030   4.829
  241    HZ3  LYS  32           2HZ      LYS  32 -10.362   4.608   3.705
  242    H    HIS  33           H        HIS  33  -9.794  -2.243   0.071
  243    HA   HIS  33           HA       HIS  33 -11.458  -0.920  -2.057
  244    HB2  HIS  33           1HB      HIS  33  -8.797  -2.329  -2.406
  245    HB3  HIS  33           2HB      HIS  33  -9.754  -1.539  -3.657
  246    HD1  HIS  33           1HD      HIS  33 -10.326   1.269  -2.399
  247    HD2  HIS  33           2HD      HIS  33  -6.700  -0.832  -2.125
  248    HE1  HIS  33           1HE      HIS  33  -8.549   3.021  -1.948
  249    H    SER  34           H        SER  34 -10.625  -4.053  -0.625
  250    HA   SER  34           HA       SER  34 -11.977  -5.554  -2.748
  251    HB2  SER  34           1HB      SER  34 -11.041  -6.505  -0.026
  252    HB3  SER  34           2HB      SER  34 -11.585  -7.516  -1.369
  253    HG   SER  34           HG       SER  34  -9.368  -5.721  -1.433
  254    H    ASN  35           H        ASN  35 -13.921  -6.687  -2.614
  255    HA   ASN  35           HA       ASN  35 -15.984  -5.248  -1.156
  256    HB2  ASN  35           1HB      ASN  35 -16.075  -5.832  -3.594
  257    HB3  ASN  35           2HB      ASN  35 -16.240  -7.532  -3.147
  258   HD21  ASN  35          1HD2      ASN  35 -18.276  -7.272  -4.458
  259   HD22  ASN  35          2HD2      ASN  35 -19.694  -6.646  -3.629
  260    H    ILE  36           H        ILE  36 -14.747  -6.244   0.852
  261    HA   ILE  36           HA       ILE  36 -16.216  -8.682   1.780
  262    HB   ILE  36           HB       ILE  36 -14.321  -9.121   3.285
  263   HG12  ILE  36          1HG1      ILE  36 -12.099  -8.190   2.799
  264   HG13  ILE  36          2HG1      ILE  36 -12.796  -6.993   1.715
  265   HG21  ILE  36          1HG2      ILE  36 -14.597 -10.232   1.093
  266   HG22  ILE  36          2HG2      ILE  36 -13.564  -8.998   0.339
  267   HG23  ILE  36          3HG2      ILE  36 -12.901 -10.088   1.571
  268   HD11  ILE  36          3HD1      ILE  36 -13.857  -5.849   3.570
  269   HD12  ILE  36          1HD1      ILE  36 -13.455  -7.180   4.687
  270   HD13  ILE  36          2HD1      ILE  36 -12.175  -6.157   4.014
  271    H    LEU  37           H        LEU  37 -16.528  -5.513   2.117
  272    HA   LEU  37           HA       LEU  37 -16.855  -5.295   5.031
  273    HB2  LEU  37           1HB      LEU  37 -17.436  -3.338   2.769
  274    HB3  LEU  37           2HB      LEU  37 -17.549  -2.968   4.482
  275    HG   LEU  37           HG       LEU  37 -14.977  -3.712   3.015
  276   HD11  LEU  37          1HD1      LEU  37 -15.979  -1.052   4.112
  277   HD12  LEU  37          2HD1      LEU  37 -15.873  -1.504   2.394
  278   HD13  LEU  37          3HD1      LEU  37 -14.396  -1.354   3.359
  279   HD21  LEU  37          3HD2      LEU  37 -15.449  -2.788   5.888
  280   HD22  LEU  37          1HD2      LEU  37 -13.862  -2.957   5.104
  281   HD23  LEU  37          2HD2      LEU  37 -14.857  -4.387   5.384
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1  12.700  18.125   3.700
    2    H2   GLY   1           2H       GLY   1  11.384  18.001   2.737
    3    H3   GLY   1           3H       GLY   1  11.668  19.390   3.560
    4    HA2  GLY   1           1HA      GLY   1  12.233  19.680   1.242
    5    HA3  GLY   1           2HA      GLY   1  13.656  19.829   2.290
    6    H    SER   2           H        SER   2  13.809  19.244  -0.423
    7    HA   SER   2           HA       SER   2  14.749  17.938  -1.978
    8    HB2  SER   2           1HB      SER   2  15.906  16.341   0.322
    9    HB3  SER   2           2HB      SER   2  16.444  16.295  -1.362
   10    HG   SER   2           HG       SER   2  17.704  17.733  -0.084
   11    H    SER   3           H        SER   3  14.960  15.787  -3.014
   12    HA   SER   3           HA       SER   3  12.360  14.390  -2.905
   13    HB2  SER   3           1HB      SER   3  13.414  15.307  -5.018
   14    HB3  SER   3           2HB      SER   3  14.610  14.002  -4.896
   15    HG   SER   3           HG       SER   3  12.766  13.473  -6.211
   16    H    GLY   4           H        GLY   4  12.532  11.975  -3.520
   17    HA2  GLY   4           1HA      GLY   4  13.252   9.798  -3.099
   18    HA3  GLY   4           2HA      GLY   4  14.632  10.402  -2.195
   19    H    SER   5           H        SER   5  13.555   8.264  -1.206
   20    HA   SER   5           HA       SER   5  12.227   9.013   1.323
   21    HB2  SER   5           1HB      SER   5  10.482   7.307   1.045
   22    HB3  SER   5           2HB      SER   5  10.355   8.571  -0.184
   23    HG   SER   5           HG       SER   5  10.129   6.518  -1.126
   24    H    SER   6           H        SER   6  12.031   7.040   2.784
   25    HA   SER   6           HA       SER   6  14.342   5.177   2.470
   26    HB2  SER   6           1HB      SER   6  14.830   5.476   4.853
   27    HB3  SER   6           2HB      SER   6  15.012   6.978   3.937
   28    HG   SER   6           HG       SER   6  13.875   7.300   5.909
   29    H    GLY   7           H        GLY   7  14.276   3.259   3.762
   30    HA2  GLY   7           1HA      GLY   7  13.274   1.391   4.707
   31    HA3  GLY   7           2HA      GLY   7  11.760   2.271   4.891
   32    H    HIS   8           H        HIS   8  11.544  -0.262   4.186
   33    HA   HIS   8           HA       HIS   8  11.551  -0.713   1.305
   34    HB2  HIS   8           1HB      HIS   8  10.558  -2.449   3.594
   35    HB3  HIS   8           2HB      HIS   8  10.762  -2.957   1.916
   36    HD1  HIS   8           1HD      HIS   8  12.598  -3.185   5.037
   37    HD2  HIS   8           2HD      HIS   8  13.530  -2.402   1.007
   38    HE1  HIS   8           1HE      HIS   8  15.092  -3.647   4.778
   39    H    LEU   9           H        LEU   9  10.086   1.304   1.158
   40    HA   LEU   9           HA       LEU   9   7.281   1.049   1.784
   41    HB2  LEU   9           1HB      LEU   9   8.872   2.959   0.046
   42    HB3  LEU   9           2HB      LEU   9   7.132   3.100   0.241
   43    HG   LEU   9           HG       LEU   9   9.045   3.155   2.610
   44   HD11  LEU   9          1HD1      LEU   9   9.542   5.022   1.089
   45   HD12  LEU   9          2HD1      LEU   9   8.764   5.601   2.569
   46   HD13  LEU   9          3HD1      LEU   9   7.824   5.481   1.063
   47   HD21  LEU   9          3HD2      LEU   9   7.130   4.239   3.747
   48   HD22  LEU   9          1HD2      LEU   9   6.684   2.631   3.174
   49   HD23  LEU   9          2HD2      LEU   9   6.143   4.064   2.278
   50    H    TYR  10           H        TYR  10   5.590   0.457   0.681
   51    HA   TYR  10           HA       TYR  10   5.720  -0.119  -2.242
   52    HB2  TYR  10           1HB      TYR  10   4.250  -1.705  -0.100
   53    HB3  TYR  10           2HB      TYR  10   4.027  -1.901  -1.832
   54    HD1  TYR  10           1HD      TYR  10   6.441  -2.353   0.953
   55    HD2  TYR  10           2HD      TYR  10   5.599  -3.113  -3.206
   56    HE1  TYR  10           1HE      TYR  10   8.345  -3.969   0.859
   57    HE2  TYR  10           2HE      TYR  10   7.478  -4.743  -3.292
   58    HH   TYR  10           HH       TYR  10   9.181  -5.753  -2.132
   59    H    TYR  11           H        TYR  11   3.797   0.388  -3.385
   60    HA   TYR  11           HA       TYR  11   2.099   2.474  -2.064
   61    HB2  TYR  11           1HB      TYR  11   3.383   2.477  -4.818
   62    HB3  TYR  11           2HB      TYR  11   2.239   3.671  -4.234
   63    HD1  TYR  11           1HD      TYR  11   5.670   2.263  -3.640
   64    HD2  TYR  11           2HD      TYR  11   2.953   5.546  -2.956
   65    HE1  TYR  11           1HE      TYR  11   7.525   3.597  -2.651
   66    HE2  TYR  11           2HE      TYR  11   4.816   6.884  -1.995
   67    HH   TYR  11           HH       TYR  11   7.040   6.941  -1.457
   68    H    CYS  12           H        CYS  12  -0.031   2.614  -2.600
   69    HA   CYS  12           HA       CYS  12  -1.337   0.254  -3.506
   70    HB2  CYS  12           1HB      CYS  12  -2.126   1.843  -1.780
   71    HB3  CYS  12           2HB      CYS  12  -2.439   3.043  -3.045
   72    H    SER  13           H        SER  13  -2.822  -0.020  -5.129
   73    HA   SER  13           HA       SER  13  -2.009   1.047  -7.786
   74    HB2  SER  13           1HB      SER  13  -2.113  -1.416  -7.308
   75    HB3  SER  13           2HB      SER  13  -3.868  -1.261  -7.107
   76    HG   SER  13           HG       SER  13  -3.227  -1.901  -9.243
   77    H    GLN  14           H        GLN  14  -4.622   1.298  -5.476
   78    HA   GLN  14           HA       GLN  14  -6.442   2.505  -7.537
   79    HB2  GLN  14           1HB      GLN  14  -7.142   1.026  -4.982
   80    HB3  GLN  14           2HB      GLN  14  -8.287   1.794  -6.089
   81    HG2  GLN  14           1HG      GLN  14  -7.425   0.284  -7.929
   82    HG3  GLN  14           2HG      GLN  14  -6.454  -0.558  -6.718
   83   HE21  GLN  14          1HE2      GLN  14  -7.795  -2.440  -7.613
   84   HE22  GLN  14          2HE2      GLN  14  -9.354  -2.710  -6.845
   85    H    CYS  15           H        CYS  15  -4.615   3.369  -4.772
   86    HA   CYS  15           HA       CYS  15  -5.803   6.038  -4.817
   87    HB2  CYS  15           1HB      CYS  15  -6.325   6.185  -2.493
   88    HB3  CYS  15           2HB      CYS  15  -7.177   4.800  -3.150
   89    H    HIS  16           H        HIS  16  -4.547   7.225  -2.760
   90    HA   HIS  16           HA       HIS  16  -1.764   7.302  -3.718
   91    HB2  HIS  16           1HB      HIS  16  -3.276   9.151  -1.841
   92    HB3  HIS  16           2HB      HIS  16  -1.674   9.442  -2.515
   93    HD1  HIS  16           1HD      HIS  16  -1.653   9.650  -5.351
   94    HD2  HIS  16           2HD      HIS  16  -5.296  10.033  -3.277
   95    HE1  HIS  16           1HE      HIS  16  -3.281  10.759  -6.969
   96    H    TYR  17           H        TYR  17  -3.119   5.426  -1.388
   97    HA   TYR  17           HA       TYR  17  -1.541   5.888   0.936
   98    HB2  TYR  17           1HB      TYR  17  -3.623   4.611   0.903
   99    HB3  TYR  17           2HB      TYR  17  -2.878   3.378  -0.105
  100    HD1  TYR  17           1HD      TYR  17  -3.071   4.792   3.307
  101    HD2  TYR  17           2HD      TYR  17  -1.353   1.714   0.819
  102    HE1  TYR  17           1HE      TYR  17  -2.411   3.516   5.339
  103    HE2  TYR  17           2HE      TYR  17  -0.674   0.446   2.858
  104    HH   TYR  17           HH       TYR  17  -1.424   1.627   6.162
  105    H    SER  18           H        SER  18   0.268   4.904   1.791
  106    HA   SER  18           HA       SER  18   1.690   2.829   0.319
  107    HB2  SER  18           1HB      SER  18   3.865   3.933   0.370
  108    HB3  SER  18           2HB      SER  18   2.704   4.853  -0.601
  109    HG   SER  18           HG       SER  18   3.901   6.224   0.783
  110    H    SER  19           H        SER  19   3.142   1.626   1.560
  111    HA   SER  19           HA       SER  19   3.428   2.170   4.453
  112    HB2  SER  19           1HB      SER  19   2.574  -0.078   5.067
  113    HB3  SER  19           2HB      SER  19   1.320   0.983   4.416
  114    HG   SER  19           HG       SER  19   2.732  -0.932   2.843
  115    H    ILE  20           H        ILE  20   5.078   0.930   5.483
  116    HA   ILE  20           HA       ILE  20   7.084  -0.214   3.691
  117    HB   ILE  20           HB       ILE  20   8.456  -0.636   5.572
  118   HG12  ILE  20          1HG1      ILE  20   6.984  -1.280   7.352
  119   HG13  ILE  20          2HG1      ILE  20   8.019   0.039   7.842
  120   HG21  ILE  20          1HG2      ILE  20   7.322   2.180   5.642
  121   HG22  ILE  20          2HG2      ILE  20   8.905   1.667   6.251
  122   HG23  ILE  20          3HG2      ILE  20   8.546   1.542   4.524
  123   HD11  ILE  20          3HD1      ILE  20   5.847   0.387   8.792
  124   HD12  ILE  20          1HD1      ILE  20   6.079   1.629   7.553
  125   HD13  ILE  20          2HD1      ILE  20   5.044   0.213   7.231
  126    H    THR  21           H        THR  21   7.553  -2.263   3.335
  127    HA   THR  21           HA       THR  21   7.303  -4.456   2.986
  128    HB   THR  21           HB       THR  21   5.961  -4.680   5.692
  129    HG1  THR  21           1HG      THR  21   8.050  -3.830   5.792
  130   HG21  THR  21          3HG2      THR  21   6.842  -7.009   5.602
  131   HG22  THR  21          1HG2      THR  21   7.294  -6.761   3.901
  132   HG23  THR  21          2HG2      THR  21   5.585  -6.719   4.401
  133    H    LYS  22           H        LYS  22   6.081  -5.513   1.587
  134    HA   LYS  22           HA       LYS  22   3.602  -4.447   0.764
  135    HB2  LYS  22           1HB      LYS  22   3.563  -6.239  -0.887
  136    HB3  LYS  22           2HB      LYS  22   5.146  -5.482  -0.764
  137    HG2  LYS  22           1HG      LYS  22   5.969  -7.396   0.603
  138    HG3  LYS  22           2HG      LYS  22   4.375  -8.168   0.460
  139    HD2  LYS  22           1HD      LYS  22   4.633  -8.233  -2.009
  140    HD3  LYS  22           2HD      LYS  22   6.220  -7.444  -1.864
  141    HE2  LYS  22           1HE      LYS  22   7.037  -9.349  -0.488
  142    HE3  LYS  22           2HE      LYS  22   5.460 -10.134  -0.636
  143    HZ1  LYS  22           3HZ      LYS  22   5.817 -10.244  -3.047
  144    HZ2  LYS  22           1HZ      LYS  22   7.034 -10.998  -2.269
  145    HZ3  LYS  22           2HZ      LYS  22   7.274  -9.518  -2.910
  146    H    ASN  23           H        ASN  23   4.050  -6.906   3.169
  147    HA   ASN  23           HA       ASN  23   1.406  -8.041   3.102
  148    HB2  ASN  23           1HB      ASN  23   3.339  -9.024   4.315
  149    HB3  ASN  23           2HB      ASN  23   3.344  -7.654   5.432
  150   HD21  ASN  23          1HD2      ASN  23   1.496 -10.531   4.398
  151   HD22  ASN  23          2HD2      ASN  23   0.519 -10.583   5.855
  152    H    CYS  24           H        CYS  24   2.665  -5.019   4.575
  153    HA   CYS  24           HA       CYS  24   0.223  -4.307   5.965
  154    HB2  CYS  24           1HB      CYS  24   2.526  -2.620   4.894
  155    HB3  CYS  24           2HB      CYS  24   1.269  -2.045   5.997
  156    HG   CYS  24           HG       CYS  24   3.853  -2.725   6.922
  157    H    LEU  25           H        LEU  25   1.519  -3.548   2.690
  158    HA   LEU  25           HA       LEU  25  -0.679  -2.025   1.893
  159    HB2  LEU  25           1HB      LEU  25   1.512  -2.006   0.758
  160    HB3  LEU  25           2HB      LEU  25   1.225  -3.651   0.172
  161    HG   LEU  25           HG       LEU  25  -0.742  -2.848  -1.129
  162   HD11  LEU  25          1HD1      LEU  25  -1.064  -0.412  -1.446
  163   HD12  LEU  25          2HD1      LEU  25   0.128  -0.082  -0.171
  164   HD13  LEU  25          3HD1      LEU  25  -1.417  -0.883   0.205
  165   HD21  LEU  25          3HD2      LEU  25   0.500  -1.681  -2.841
  166   HD22  LEU  25          1HD2      LEU  25   1.533  -2.930  -2.129
  167   HD23  LEU  25          2HD2      LEU  25   1.761  -1.223  -1.676
  168    H    LYS  26           H        LYS  26  -0.116  -5.562   1.554
  169    HA   LYS  26           HA       LYS  26  -2.555  -6.184   0.213
  170    HB2  LYS  26           1HB      LYS  26  -0.676  -7.758   0.477
  171    HB3  LYS  26           2HB      LYS  26  -0.955  -7.835   2.214
  172    HG2  LYS  26           1HG      LYS  26  -1.823  -9.808   1.098
  173    HG3  LYS  26           2HG      LYS  26  -3.130  -8.914   1.867
  174    HD2  LYS  26           1HD      LYS  26  -3.882  -8.040  -0.304
  175    HD3  LYS  26           2HD      LYS  26  -2.459  -8.748  -1.107
  176    HE2  LYS  26           1HE      LYS  26  -3.213 -11.015  -0.400
  177    HE3  LYS  26           2HE      LYS  26  -4.651 -10.307   0.342
  178    HZ1  LYS  26           3HZ      LYS  26  -5.399  -9.596  -1.846
  179    HZ2  LYS  26           1HZ      LYS  26  -5.047 -11.178  -1.919
  180    HZ3  LYS  26           2HZ      LYS  26  -4.004 -10.099  -2.553
  181    H    ARG  27           H        ARG  27  -1.939  -5.894   3.748
  182    HA   ARG  27           HA       ARG  27  -4.697  -6.345   4.499
  183    HB2  ARG  27           1HB      ARG  27  -2.315  -5.107   5.914
  184    HB3  ARG  27           2HB      ARG  27  -3.928  -5.131   6.648
  185    HG2  ARG  27           1HG      ARG  27  -4.067  -7.566   6.392
  186    HG3  ARG  27           2HG      ARG  27  -2.467  -7.621   5.648
  187    HD2  ARG  27           1HD      ARG  27  -2.961  -6.532   8.456
  188    HD3  ARG  27           2HD      ARG  27  -2.660  -8.233   8.125
  189    HE   ARG  27           HE       ARG  27  -0.450  -7.756   7.338
  190   HH11  ARG  27          2HH1      ARG  27  -1.850  -4.885   8.816
  191   HH12  ARG  27          1HH1      ARG  27  -0.275  -4.201   9.107
  192   HH21  ARG  27          2HH2      ARG  27   1.406  -6.889   7.749
  193   HH22  ARG  27          1HH2      ARG  27   1.559  -5.281   8.436
  194    H    HIS  28           H        HIS  28  -3.095  -3.341   3.461
  195    HA   HIS  28           HA       HIS  28  -5.414  -1.665   3.944
  196    HB2  HIS  28           1HB      HIS  28  -3.362  -0.555   3.598
  197    HB3  HIS  28           2HB      HIS  28  -2.991  -1.449   2.139
  198    HD1  HIS  28           1HD      HIS  28  -4.967   1.587   3.269
  199    HD2  HIS  28           2HD      HIS  28  -4.153  -0.673  -0.177
  200    HE1  HIS  28           1HE      HIS  28  -5.808   2.973   1.323
  201    H    VAL  29           H        VAL  29  -4.332  -3.482   1.026
  202    HA   VAL  29           HA       VAL  29  -6.567  -2.754  -0.606
  203    HB   VAL  29           HB       VAL  29  -4.571  -5.041  -0.751
  204   HG11  VAL  29          1HG1      VAL  29  -6.446  -5.797  -2.039
  205   HG12  VAL  29          2HG1      VAL  29  -6.649  -4.195  -2.805
  206   HG13  VAL  29          3HG1      VAL  29  -5.232  -5.209  -3.167
  207   HG21  VAL  29          3HG2      VAL  29  -3.552  -3.696  -2.527
  208   HG22  VAL  29          1HG2      VAL  29  -4.825  -2.469  -2.383
  209   HG23  VAL  29          2HG2      VAL  29  -3.664  -2.719  -1.068
  210    H    ILE  30           H        ILE  30  -6.160  -5.511   1.608
  211    HA   ILE  30           HA       ILE  30  -8.647  -6.828   1.084
  212    HB   ILE  30           HB       ILE  30  -6.804  -6.658   3.477
  213   HG12  ILE  30          1HG1      ILE  30  -7.525  -8.989   1.637
  214   HG13  ILE  30          2HG1      ILE  30  -6.178  -7.916   1.334
  215   HG21  ILE  30          1HG2      ILE  30  -9.029  -7.034   4.461
  216   HG22  ILE  30          2HG2      ILE  30  -9.332  -8.349   3.310
  217   HG23  ILE  30          3HG2      ILE  30  -8.079  -8.497   4.555
  218   HD11  ILE  30          3HD1      ILE  30  -6.470  -9.774   3.729
  219   HD12  ILE  30          1HD1      ILE  30  -5.340  -9.912   2.383
  220   HD13  ILE  30          2HD1      ILE  30  -5.168  -8.574   3.534
  221    H    GLN  31           H        GLN  31  -7.912  -4.185   3.412
  222    HA   GLN  31           HA       GLN  31 -10.680  -4.222   4.376
  223    HB2  GLN  31           1HB      GLN  31  -8.232  -2.585   5.120
  224    HB3  GLN  31           2HB      GLN  31  -9.800  -2.434   5.920
  225    HG2  GLN  31           1HG      GLN  31  -9.742  -4.762   6.651
  226    HG3  GLN  31           2HG      GLN  31  -8.240  -5.051   5.766
  227   HE21  GLN  31          1HE2      GLN  31  -6.312  -3.775   6.421
  228   HE22  GLN  31          2HE2      GLN  31  -6.162  -3.323   8.127
  229    H    LYS  32           H        LYS  32  -8.687  -1.872   2.550
  230    HA   LYS  32           HA       LYS  32 -10.913   0.088   2.497
  231    HB2  LYS  32           1HB      LYS  32  -8.071   0.307   1.428
  232    HB3  LYS  32           2HB      LYS  32  -9.231   1.619   1.598
  233    HG2  LYS  32           1HG      LYS  32  -7.926   0.053   3.867
  234    HG3  LYS  32           2HG      LYS  32  -7.590   1.713   3.376
  235    HD2  LYS  32           1HD      LYS  32  -9.931   2.355   3.984
  236    HD3  LYS  32           2HD      LYS  32 -10.202   0.701   4.581
  237    HE2  LYS  32           1HE      LYS  32  -8.333   0.965   6.186
  238    HE3  LYS  32           2HE      LYS  32  -8.051   2.608   5.593
  239    HZ1  LYS  32           3HZ      LYS  32 -10.553   1.685   6.908
  240    HZ2  LYS  32           1HZ      LYS  32 -10.287   3.202   6.360
  241    HZ3  LYS  32           2HZ      LYS  32  -9.410   2.617   7.604
  242    H    HIS  33           H        HIS  33  -9.489  -2.205   0.317
  243    HA   HIS  33           HA       HIS  33 -11.280  -1.217  -1.863
  244    HB2  HIS  33           1HB      HIS  33  -8.582  -2.550  -2.206
  245    HB3  HIS  33           2HB      HIS  33  -9.638  -1.959  -3.485
  246    HD1  HIS  33           1HD      HIS  33 -10.271   0.937  -2.759
  247    HD2  HIS  33           2HD      HIS  33  -6.600  -0.917  -1.922
  248    HE1  HIS  33           1HE      HIS  33  -8.610   2.826  -2.416
  249    H    SER  34           H        SER  34 -11.586  -3.289   0.351
  250    HA   SER  34           HA       SER  34 -12.546  -5.303   0.694
  251    HB2  SER  34           1HB      SER  34 -14.722  -5.509  -0.386
  252    HB3  SER  34           2HB      SER  34 -14.367  -3.874   0.170
  253    HG   SER  34           HG       SER  34 -14.193  -4.827  -2.512
  254    H    ASN  35           H        ASN  35 -10.231  -5.856  -0.767
  255    HA   ASN  35           HA       ASN  35 -10.670  -7.494  -3.024
  256    HB2  ASN  35           1HB      ASN  35  -8.610  -6.323  -2.463
  257    HB3  ASN  35           2HB      ASN  35  -8.350  -7.363  -1.056
  258   HD21  ASN  35          1HD2      ASN  35  -8.827  -7.654  -4.639
  259   HD22  ASN  35          2HD2      ASN  35  -7.623  -8.923  -4.790
  260    H    ILE  36           H        ILE  36 -11.421  -8.358   0.165
  261    HA   ILE  36           HA       ILE  36 -11.188 -11.269  -0.267
  262    HB   ILE  36           HB       ILE  36 -12.221 -11.364   2.063
  263   HG12  ILE  36          1HG1      ILE  36 -11.915  -9.455   3.532
  264   HG13  ILE  36          2HG1      ILE  36 -11.425  -8.420   2.197
  265   HG21  ILE  36          1HG2      ILE  36 -10.028 -10.901   3.095
  266   HG22  ILE  36          2HG2      ILE  36  -9.881 -11.795   1.576
  267   HG23  ILE  36          3HG2      ILE  36  -9.519 -10.060   1.613
  268   HD11  ILE  36          3HD1      ILE  36 -13.769  -8.061   2.996
  269   HD12  ILE  36          1HD1      ILE  36 -13.675  -8.443   1.275
  270   HD13  ILE  36          2HD1      ILE  36 -14.183  -9.696   2.440
  271    H    LEU  37           H        LEU  37 -13.504  -9.004  -1.214
  272    HA   LEU  37           HA       LEU  37 -15.909 -10.408  -0.603
  273    HB2  LEU  37           1HB      LEU  37 -15.463  -7.946  -0.973
  274    HB3  LEU  37           2HB      LEU  37 -15.270  -8.269  -2.682
  275    HG   LEU  37           HG       LEU  37 -17.340  -7.235  -2.042
  276   HD11  LEU  37          1HD1      LEU  37 -18.884  -8.526  -3.380
  277   HD12  LEU  37          2HD1      LEU  37 -17.928 -10.001  -3.156
  278   HD13  LEU  37          3HD1      LEU  37 -17.265  -8.642  -4.092
  279   HD21  LEU  37          3HD2      LEU  37 -18.122  -9.840  -0.678
  280   HD22  LEU  37          1HD2      LEU  37 -19.134  -8.396  -0.870
  281   HD23  LEU  37          2HD2      LEU  37 -17.689  -8.328   0.152
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  18.859  14.430 -19.183
    2    H2   GLY   1           2H       GLY   1  18.939  12.801 -19.027
    3    H3   GLY   1           3H       GLY   1  20.103  13.744 -18.365
    4    HA2  GLY   1           1HA      GLY   1  18.540  14.707 -16.814
    5    HA3  GLY   1           2HA      GLY   1  17.272  13.705 -17.540
    6    H    SER   2           H        SER   2  18.248  13.775 -14.751
    7    HA   SER   2           HA       SER   2  19.699  11.286 -14.264
    8    HB2  SER   2           1HB      SER   2  19.303  11.866 -11.877
    9    HB3  SER   2           2HB      SER   2  20.120  13.129 -12.809
   10    HG   SER   2           HG       SER   2  18.435  13.969 -11.482
   11    H    SER   3           H        SER   3  18.906   9.562 -12.909
   12    HA   SER   3           HA       SER   3  16.436   8.447 -13.823
   13    HB2  SER   3           1HB      SER   3  18.214   7.561 -11.523
   14    HB3  SER   3           2HB      SER   3  16.965   6.587 -12.322
   15    HG   SER   3           HG       SER   3  19.070   6.158 -13.153
   16    H    GLY   4           H        GLY   4  14.571   7.825 -12.681
   17    HA2  GLY   4           1HA      GLY   4  13.505   9.685 -10.739
   18    HA3  GLY   4           2HA      GLY   4  12.736   8.214 -11.322
   19    H    SER   5           H        SER   5  12.471   9.009  -8.709
   20    HA   SER   5           HA       SER   5  13.708   6.798  -7.183
   21    HB2  SER   5           1HB      SER   5  14.438   8.289  -5.382
   22    HB3  SER   5           2HB      SER   5  15.274   8.659  -6.894
   23    HG   SER   5           HG       SER   5  14.542  10.557  -5.834
   24    H    SER   6           H        SER   6  12.796   6.646  -4.952
   25    HA   SER   6           HA       SER   6  10.073   7.742  -4.552
   26    HB2  SER   6           1HB      SER   6   9.056   5.608  -4.241
   27    HB3  SER   6           2HB      SER   6   9.896   5.536  -5.794
   28    HG   SER   6           HG       SER   6  10.393   3.680  -4.651
   29    H    GLY   7           H        GLY   7   9.231   6.815  -2.329
   30    HA2  GLY   7           1HA      GLY   7  11.173   7.396  -0.220
   31    HA3  GLY   7           2HA      GLY   7   9.477   6.950  -0.030
   32    H    HIS   8           H        HIS   8  10.991   4.664  -2.035
   33    HA   HIS   8           HA       HIS   8  11.306   2.477  -1.833
   34    HB2  HIS   8           1HB      HIS   8  13.383   3.514  -0.701
   35    HB3  HIS   8           2HB      HIS   8  12.725   2.868   0.798
   36    HD1  HIS   8           1HD      HIS   8  12.050   0.000   0.301
   37    HD2  HIS   8           2HD      HIS   8  15.117   1.966  -1.796
   38    HE1  HIS   8           1HE      HIS   8  13.606  -1.840  -0.584
   39    H    LEU   9           H        LEU   9   8.843   3.526  -0.765
   40    HA   LEU   9           HA       LEU   9   7.962   1.486   1.218
   41    HB2  LEU   9           1HB      LEU   9   6.476   3.828  -0.040
   42    HB3  LEU   9           2HB      LEU   9   5.864   2.779   1.230
   43    HG   LEU   9           HG       LEU   9   8.181   4.737   1.484
   44   HD11  LEU   9          1HD1      LEU   9   5.960   5.775   1.415
   45   HD12  LEU   9          2HD1      LEU   9   6.671   5.902   3.030
   46   HD13  LEU   9          3HD1      LEU   9   5.397   4.702   2.715
   47   HD21  LEU   9          3HD2      LEU   9   8.118   4.186   3.908
   48   HD22  LEU   9          1HD2      LEU   9   8.625   2.805   2.934
   49   HD23  LEU   9          2HD2      LEU   9   6.966   2.875   3.571
   50    H    TYR  10           H        TYR  10   5.766   0.523   0.732
   51    HA   TYR  10           HA       TYR  10   5.559  -0.436  -2.087
   52    HB2  TYR  10           1HB      TYR  10   4.329  -1.526   0.470
   53    HB3  TYR  10           2HB      TYR  10   4.108  -2.182  -1.147
   54    HD1  TYR  10           1HD      TYR  10   6.516  -1.758   1.626
   55    HD2  TYR  10           2HD      TYR  10   5.848  -3.479  -2.267
   56    HE1  TYR  10           1HE      TYR  10   8.583  -3.151   1.880
   57    HE2  TYR  10           2HE      TYR  10   7.896  -4.864  -2.013
   58    HH   TYR  10           HH       TYR  10   9.664  -5.425  -0.663
   59    H    TYR  11           H        TYR  11   4.004   0.444  -3.317
   60    HA   TYR  11           HA       TYR  11   2.127   2.406  -2.078
   61    HB2  TYR  11           1HB      TYR  11   3.350   2.262  -4.854
   62    HB3  TYR  11           2HB      TYR  11   2.165   3.445  -4.341
   63    HD1  TYR  11           1HD      TYR  11   5.670   2.261  -3.730
   64    HD2  TYR  11           2HD      TYR  11   2.807   5.453  -3.238
   65    HE1  TYR  11           1HE      TYR  11   7.489   3.779  -2.973
   66    HE2  TYR  11           2HE      TYR  11   4.629   6.966  -2.479
   67    HH   TYR  11           HH       TYR  11   6.848   7.177  -2.018
   68    H    CYS  12           H        CYS  12  -0.026   2.448  -2.544
   69    HA   CYS  12           HA       CYS  12  -1.348   0.082  -3.453
   70    HB2  CYS  12           1HB      CYS  12  -2.174   1.675  -1.760
   71    HB3  CYS  12           2HB      CYS  12  -2.377   2.904  -3.017
   72    H    SER  13           H        SER  13  -2.525  -0.357  -5.233
   73    HA   SER  13           HA       SER  13  -1.699   0.864  -7.781
   74    HB2  SER  13           1HB      SER  13  -3.637  -1.415  -7.230
   75    HB3  SER  13           2HB      SER  13  -2.966  -0.968  -8.805
   76    HG   SER  13           HG       SER  13  -0.890  -1.507  -8.018
   77    H    GLN  14           H        GLN  14  -4.253   1.425  -5.563
   78    HA   GLN  14           HA       GLN  14  -6.003   2.592  -7.709
   79    HB2  GLN  14           1HB      GLN  14  -6.866   1.021  -5.257
   80    HB3  GLN  14           2HB      GLN  14  -7.935   1.784  -6.441
   81    HG2  GLN  14           1HG      GLN  14  -6.856   0.329  -8.228
   82    HG3  GLN  14           2HG      GLN  14  -6.045  -0.553  -6.925
   83   HE21  GLN  14          1HE2      GLN  14  -7.708  -1.284  -5.074
   84   HE22  GLN  14          2HE2      GLN  14  -9.207  -1.963  -5.718
   85    H    CYS  15           H        CYS  15  -4.396   3.351  -4.757
   86    HA   CYS  15           HA       CYS  15  -5.624   6.006  -4.828
   87    HB2  CYS  15           1HB      CYS  15  -6.317   6.096  -2.550
   88    HB3  CYS  15           2HB      CYS  15  -7.098   4.719  -3.303
   89    H    HIS  16           H        HIS  16  -4.588   7.201  -2.699
   90    HA   HIS  16           HA       HIS  16  -1.809   7.531  -3.488
   91    HB2  HIS  16           1HB      HIS  16  -3.478   9.365  -3.064
   92    HB3  HIS  16           2HB      HIS  16  -3.429   8.962  -1.350
   93    HD1  HIS  16           1HD      HIS  16  -1.686  10.405  -0.037
   94    HD2  HIS  16           2HD      HIS  16  -0.871  10.008  -4.148
   95    HE1  HIS  16           1HE      HIS  16   0.351  11.865  -0.505
   96    H    TYR  17           H        TYR  17  -3.176   5.419  -1.232
   97    HA   TYR  17           HA       TYR  17  -1.523   5.727   1.054
   98    HB2  TYR  17           1HB      TYR  17  -3.590   4.446   1.053
   99    HB3  TYR  17           2HB      TYR  17  -2.914   3.292  -0.089
  100    HD1  TYR  17           2HD      TYR  17  -1.260   1.611   0.597
  101    HD2  TYR  17           1HD      TYR  17  -2.961   4.379   3.435
  102    HE1  TYR  17           2HE      TYR  17  -0.433   0.194   2.477
  103    HE2  TYR  17           1HE      TYR  17  -2.159   2.946   5.308
  104    HH   TYR  17           HH       TYR  17  -1.062   1.024   5.902
  105    H    SER  18           H        SER  18   0.384   4.916   1.725
  106    HA   SER  18           HA       SER  18   1.672   2.707   0.384
  107    HB2  SER  18           1HB      SER  18   3.841   3.807   0.016
  108    HB3  SER  18           2HB      SER  18   2.553   4.507  -0.976
  109    HG   SER  18           HG       SER  18   3.793   6.156  -0.055
  110    H    SER  19           H        SER  19   3.224   1.648   1.661
  111    HA   SER  19           HA       SER  19   3.968   2.717   4.292
  112    HB2  SER  19           1HB      SER  19   1.618   1.753   4.537
  113    HB3  SER  19           2HB      SER  19   2.330   0.157   4.228
  114    HG   SER  19           HG       SER  19   2.181   0.753   6.489
  115    H    ILE  20           H        ILE  20   5.141   0.944   5.580
  116    HA   ILE  20           HA       ILE  20   7.166  -0.374   3.882
  117    HB   ILE  20           HB       ILE  20   8.195  -1.076   6.007
  118   HG12  ILE  20          1HG1      ILE  20   6.059   0.614   7.390
  119   HG13  ILE  20          2HG1      ILE  20   6.144  -1.148   7.427
  120   HG21  ILE  20          1HG2      ILE  20   8.785   1.036   4.812
  121   HG22  ILE  20          2HG2      ILE  20   7.672   1.923   5.879
  122   HG23  ILE  20          3HG2      ILE  20   9.102   1.108   6.543
  123   HD11  ILE  20          3HD1      ILE  20   7.061  -0.304   9.477
  124   HD12  ILE  20          1HD1      ILE  20   8.388  -0.998   8.523
  125   HD13  ILE  20          2HD1      ILE  20   8.179   0.770   8.622
  126    H    THR  21           H        THR  21   7.572  -2.568   3.887
  127    HA   THR  21           HA       THR  21   7.110  -4.721   3.525
  128    HB   THR  21           HB       THR  21   5.383  -4.561   6.005
  129    HG1  THR  21           1HG      THR  21   7.306  -5.123   7.025
  130   HG21  THR  21          3HG2      THR  21   6.827  -6.898   4.669
  131   HG22  THR  21          1HG2      THR  21   5.069  -6.707   4.867
  132   HG23  THR  21          2HG2      THR  21   6.087  -6.939   6.285
  133    H    LYS  22           H        LYS  22   6.091  -5.577   1.868
  134    HA   LYS  22           HA       LYS  22   3.648  -4.645   0.824
  135    HB2  LYS  22           1HB      LYS  22   3.774  -6.519  -0.745
  136    HB3  LYS  22           2HB      LYS  22   5.303  -5.673  -0.571
  137    HG2  LYS  22           1HG      LYS  22   6.121  -7.461   0.965
  138    HG3  LYS  22           2HG      LYS  22   4.622  -8.358   0.697
  139    HD2  LYS  22           1HD      LYS  22   6.680  -7.575  -1.414
  140    HD3  LYS  22           2HD      LYS  22   6.536  -9.169  -0.690
  141    HE2  LYS  22           1HE      LYS  22   4.371  -7.825  -2.378
  142    HE3  LYS  22           2HE      LYS  22   5.569  -8.960  -2.996
  143    HZ1  LYS  22           3HZ      LYS  22   4.678 -10.650  -1.488
  144    HZ2  LYS  22           1HZ      LYS  22   3.513 -10.105  -2.486
  145    HZ3  LYS  22           2HZ      LYS  22   3.537  -9.618  -0.930
  146    H    ASN  23           H        ASN  23   4.004  -7.148   3.252
  147    HA   ASN  23           HA       ASN  23   1.361  -8.258   2.989
  148    HB2  ASN  23           1HB      ASN  23   3.280  -9.282   4.259
  149    HB3  ASN  23           2HB      ASN  23   3.090  -8.031   5.494
  150   HD21  ASN  23          1HD2      ASN  23   1.420 -10.770   3.892
  151   HD22  ASN  23          2HD2      ASN  23   0.335 -11.066   5.240
  152    H    CYS  24           H        CYS  24   2.546  -5.315   4.666
  153    HA   CYS  24           HA       CYS  24   0.012  -4.720   5.960
  154    HB2  CYS  24           1HB      CYS  24   2.391  -2.946   5.262
  155    HB3  CYS  24           2HB      CYS  24   1.046  -2.502   6.325
  156    HG   CYS  24           HG       CYS  24   3.234  -3.082   7.714
  157    H    LEU  25           H        LEU  25   1.521  -3.761   2.831
  158    HA   LEU  25           HA       LEU  25  -0.620  -2.172   1.965
  159    HB2  LEU  25           1HB      LEU  25   1.598  -2.149   0.911
  160    HB3  LEU  25           2HB      LEU  25   1.359  -3.804   0.342
  161    HG   LEU  25           HG       LEU  25  -0.556  -3.048  -1.066
  162   HD11  LEU  25          1HD1      LEU  25   0.277  -0.254  -0.155
  163   HD12  LEU  25          2HD1      LEU  25  -1.281  -1.049   0.194
  164   HD13  LEU  25          3HD1      LEU  25  -0.869  -0.628  -1.459
  165   HD21  LEU  25          3HD2      LEU  25   1.957  -1.431  -1.552
  166   HD22  LEU  25          1HD2      LEU  25   0.757  -1.945  -2.754
  167   HD23  LEU  25          2HD2      LEU  25   1.767  -3.155  -1.951
  168    H    LYS  26           H        LYS  26  -0.099  -5.715   1.605
  169    HA   LYS  26           HA       LYS  26  -2.470  -6.281   0.133
  170    HB2  LYS  26           1HB      LYS  26  -0.568  -7.855   0.558
  171    HB3  LYS  26           2HB      LYS  26  -1.134  -8.055   2.224
  172    HG2  LYS  26           1HG      LYS  26  -3.295  -8.936   1.390
  173    HG3  LYS  26           2HG      LYS  26  -2.758  -8.689  -0.283
  174    HD2  LYS  26           1HD      LYS  26  -0.905 -10.302   0.081
  175    HD3  LYS  26           2HD      LYS  26  -1.448 -10.547   1.757
  176    HE2  LYS  26           1HE      LYS  26  -3.648 -11.349   0.924
  177    HE3  LYS  26           2HE      LYS  26  -3.117 -11.094  -0.742
  178    HZ1  LYS  26           3HZ      LYS  26  -1.872 -13.007   1.165
  179    HZ2  LYS  26           1HZ      LYS  26  -1.381 -12.769  -0.377
  180    HZ3  LYS  26           2HZ      LYS  26  -2.849 -13.412  -0.075
  181    H    ARG  27           H        ARG  27  -2.044  -6.043   3.687
  182    HA   ARG  27           HA       ARG  27  -4.807  -6.505   4.370
  183    HB2  ARG  27           1HB      ARG  27  -2.636  -4.922   5.803
  184    HB3  ARG  27           2HB      ARG  27  -4.211  -5.297   6.505
  185    HG2  ARG  27           1HG      ARG  27  -3.776  -7.672   6.484
  186    HG3  ARG  27           2HG      ARG  27  -2.324  -7.466   5.507
  187    HD2  ARG  27           1HD      ARG  27  -1.400  -6.015   7.416
  188    HD3  ARG  27           2HD      ARG  27  -2.733  -6.619   8.399
  189    HE   ARG  27           HE       ARG  27  -0.446  -8.173   7.240
  190   HH11  ARG  27          2HH1      ARG  27  -3.209  -8.325   9.411
  191   HH12  ARG  27          1HH1      ARG  27  -2.663  -9.835  10.094
  192   HH21  ARG  27          2HH2      ARG  27   0.162  -9.982   8.109
  193   HH22  ARG  27          1HH2      ARG  27  -0.767 -10.773   9.372
  194    H    HIS  28           H        HIS  28  -3.135  -3.417   3.553
  195    HA   HIS  28           HA       HIS  28  -5.431  -1.733   3.831
  196    HB2  HIS  28           1HB      HIS  28  -3.340  -0.669   3.533
  197    HB3  HIS  28           2HB      HIS  28  -2.965  -1.566   2.075
  198    HD1  HIS  28           1HD      HIS  28  -4.997   1.450   3.200
  199    HD2  HIS  28           2HD      HIS  28  -4.068  -0.749  -0.254
  200    HE1  HIS  28           1HE      HIS  28  -5.892   2.811   1.259
  201    H    VAL  29           H        VAL  29  -4.337  -3.611   0.932
  202    HA   VAL  29           HA       VAL  29  -6.556  -2.783  -0.687
  203    HB   VAL  29           HB       VAL  29  -4.762  -5.215  -0.933
  204   HG11  VAL  29          1HG1      VAL  29  -5.503  -5.231  -3.323
  205   HG12  VAL  29          2HG1      VAL  29  -6.815  -5.637  -2.214
  206   HG13  VAL  29          3HG1      VAL  29  -6.730  -4.007  -2.925
  207   HG21  VAL  29          3HG2      VAL  29  -3.651  -3.881  -2.686
  208   HG22  VAL  29          1HG2      VAL  29  -4.767  -2.530  -2.398
  209   HG23  VAL  29          2HG2      VAL  29  -3.597  -3.009  -1.157
  210    H    ILE  30           H        ILE  30  -6.221  -5.603   1.480
  211    HA   ILE  30           HA       ILE  30  -8.790  -6.755   0.922
  212    HB   ILE  30           HB       ILE  30  -6.937  -6.865   3.325
  213   HG12  ILE  30          1HG1      ILE  30  -7.644  -9.028   1.298
  214   HG13  ILE  30          2HG1      ILE  30  -6.305  -7.925   1.051
  215   HG21  ILE  30          1HG2      ILE  30  -9.494  -8.474   2.898
  216   HG22  ILE  30          2HG2      ILE  30  -8.277  -8.805   4.147
  217   HG23  ILE  30          3HG2      ILE  30  -9.186  -7.310   4.206
  218   HD11  ILE  30          3HD1      ILE  30  -5.448  -9.983   1.950
  219   HD12  ILE  30          1HD1      ILE  30  -5.258  -8.715   3.178
  220   HD13  ILE  30          2HD1      ILE  30  -6.551  -9.931   3.328
  221    H    GLN  31           H        GLN  31  -7.825  -4.288   3.348
  222    HA   GLN  31           HA       GLN  31 -10.501  -4.262   4.498
  223    HB2  GLN  31           1HB      GLN  31  -8.369  -4.196   5.777
  224    HB3  GLN  31           2HB      GLN  31  -8.055  -2.576   5.142
  225    HG2  GLN  31           1HG      GLN  31 -10.115  -1.743   6.254
  226    HG3  GLN  31           2HG      GLN  31 -10.473  -3.377   6.826
  227   HE21  GLN  31          1HE2      GLN  31  -8.947  -4.343   8.454
  228   HE22  GLN  31          2HE2      GLN  31  -7.998  -3.244   9.444
  229    H    LYS  32           H        LYS  32  -8.658  -1.978   2.457
  230    HA   LYS  32           HA       LYS  32 -10.791   0.081   2.781
  231    HB2  LYS  32           1HB      LYS  32  -7.958   0.360   1.719
  232    HB3  LYS  32           2HB      LYS  32  -9.083   1.668   2.047
  233    HG2  LYS  32           1HG      LYS  32  -7.818  -0.169   4.122
  234    HG3  LYS  32           2HG      LYS  32  -7.424   1.518   3.802
  235    HD2  LYS  32           1HD      LYS  32  -9.764   2.165   4.490
  236    HD3  LYS  32           2HD      LYS  32 -10.076   0.470   4.881
  237    HE2  LYS  32           1HE      LYS  32  -9.569   1.453   6.942
  238    HE3  LYS  32           2HE      LYS  32  -8.127   0.542   6.494
  239    HZ1  LYS  32           3HZ      LYS  32  -8.475   3.481   6.164
  240    HZ2  LYS  32           1HZ      LYS  32  -7.119   2.654   5.769
  241    HZ3  LYS  32           2HZ      LYS  32  -7.587   2.764   7.326
  242    H    HIS  33           H        HIS  33  -9.948  -2.163   0.374
  243    HA   HIS  33           HA       HIS  33 -11.475  -0.543  -1.628
  244    HB2  HIS  33           1HB      HIS  33  -9.125  -2.389  -2.154
  245    HB3  HIS  33           2HB      HIS  33 -10.165  -1.684  -3.388
  246    HD1  HIS  33           1HD      HIS  33 -10.164   1.160  -3.375
  247    HD2  HIS  33           2HD      HIS  33  -7.043  -0.918  -1.488
  248    HE1  HIS  33           1HE      HIS  33  -8.287   2.836  -3.109
  249    H    SER  34           H        SER  34 -13.274  -1.406  -2.398
  250    HA   SER  34           HA       SER  34 -14.108  -4.112  -1.598
  251    HB2  SER  34           1HB      SER  34 -16.301  -3.366  -2.490
  252    HB3  SER  34           2HB      SER  34 -15.640  -2.292  -1.245
  253    HG   SER  34           HG       SER  34 -16.457  -1.132  -3.065
  254    H    ASN  35           H        ASN  35 -12.687  -2.716  -4.357
  255    HA   ASN  35           HA       ASN  35 -13.040  -5.184  -5.937
  256    HB2  ASN  35           1HB      ASN  35 -14.799  -3.611  -6.730
  257    HB3  ASN  35           2HB      ASN  35 -13.581  -2.357  -6.976
  258   HD21  ASN  35          2HD2      ASN  35 -14.451  -5.700  -8.025
  259   HD22  ASN  35          1HD2      ASN  35 -13.782  -5.492  -9.638
  260    H    ILE  36           H        ILE  36 -11.309  -5.458  -7.515
  261    HA   ILE  36           HA       ILE  36  -8.883  -3.795  -7.061
  262    HB   ILE  36           HB       ILE  36  -7.499  -5.809  -6.889
  263   HG12  ILE  36          1HG1      ILE  36 -10.107  -7.364  -6.556
  264   HG13  ILE  36          2HG1      ILE  36  -9.057  -7.429  -7.973
  265   HG21  ILE  36          1HG2      ILE  36  -7.899  -6.191  -4.543
  266   HG22  ILE  36          2HG2      ILE  36  -8.294  -4.508  -4.899
  267   HG23  ILE  36          3HG2      ILE  36  -9.597  -5.697  -4.683
  268   HD11  ILE  36          3HD1      ILE  36  -8.344  -8.365  -5.169
  269   HD12  ILE  36          1HD1      ILE  36  -8.614  -9.356  -6.609
  270   HD13  ILE  36          2HD1      ILE  36  -7.199  -8.288  -6.532
  271    H    LEU  37           H        LEU  37  -7.221  -3.976  -8.597
  272    HA   LEU  37           HA       LEU  37  -8.144  -4.139 -11.349
  273    HB2  LEU  37           1HB      LEU  37  -6.797  -2.257 -10.558
  274    HB3  LEU  37           2HB      LEU  37  -5.546  -3.353  -9.968
  275    HG   LEU  37           HG       LEU  37  -5.036  -4.051 -12.260
  276   HD11  LEU  37          1HD1      LEU  37  -7.028  -1.880 -13.071
  277   HD12  LEU  37          2HD1      LEU  37  -7.190  -3.622 -13.385
  278   HD13  LEU  37          3HD1      LEU  37  -5.903  -2.705 -14.173
  279   HD21  LEU  37          3HD2      LEU  37  -3.800  -2.209 -11.196
  280   HD22  LEU  37          1HD2      LEU  37  -4.984  -1.036 -11.818
  281   HD23  LEU  37          2HD2      LEU  37  -3.945  -1.945 -12.940
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1   8.352   5.873  -3.978
    2    H2   GLY   1           2H       GLY   1   9.703   5.506  -4.822
    3    H3   GLY   1           3H       GLY   1   8.239   5.444  -5.562
    4    HA2  GLY   1           1HA      GLY   1   7.959   7.829  -5.324
    5    HA3  GLY   1           2HA      GLY   1   9.546   7.881  -4.531
    6    H    SER   2           H        SER   2   8.896   9.373  -6.856
    7    HA   SER   2           HA       SER   2   9.376   8.146  -9.311
    8    HB2  SER   2           1HB      SER   2   9.943  11.041  -8.579
    9    HB3  SER   2           2HB      SER   2   9.602  10.399 -10.199
   10    HG   SER   2           HG       SER   2   7.732  11.309  -9.221
   11    H    SER   3           H        SER   3  11.834   9.156  -7.031
   12    HA   SER   3           HA       SER   3  14.017   9.105  -8.999
   13    HB2  SER   3           1HB      SER   3  13.862  10.612  -6.946
   14    HB3  SER   3           2HB      SER   3  14.265   9.185  -5.978
   15    HG   SER   3           HG       SER   3  16.190   9.000  -7.279
   16    H    GLY   4           H        GLY   4  12.290   6.641  -7.455
   17    HA2  GLY   4           1HA      GLY   4  12.639   4.371  -7.281
   18    HA3  GLY   4           2HA      GLY   4  14.197   4.547  -8.081
   19    H    SER   5           H        SER   5  14.513   2.773  -6.407
   20    HA   SER   5           HA       SER   5  15.396   1.929  -4.494
   21    HB2  SER   5           1HB      SER   5  16.975   4.516  -4.565
   22    HB3  SER   5           2HB      SER   5  17.431   3.028  -3.711
   23    HG   SER   5           HG       SER   5  18.425   3.191  -5.782
   24    H    SER   6           H        SER   6  12.936   3.140  -3.929
   25    HA   SER   6           HA       SER   6  13.066   4.857  -1.633
   26    HB2  SER   6           1HB      SER   6  10.653   3.404  -2.762
   27    HB3  SER   6           2HB      SER   6  10.659   4.846  -1.728
   28    HG   SER   6           HG       SER   6  11.942   5.843  -3.488
   29    H    GLY   7           H        GLY   7  14.527   2.921  -0.652
   30    HA2  GLY   7           1HA      GLY   7  14.826   1.542   1.183
   31    HA3  GLY   7           2HA      GLY   7  13.376   2.304   1.835
   32    H    HIS   8           H        HIS   8  11.857   0.904   2.401
   33    HA   HIS   8           HA       HIS   8  11.323  -1.499   0.728
   34    HB2  HIS   8           1HB      HIS   8  12.468  -1.826   3.076
   35    HB3  HIS   8           2HB      HIS   8  10.847  -1.557   3.707
   36    HD1  HIS   8           1HD      HIS   8   9.705  -3.940   4.067
   37    HD2  HIS   8           2HD      HIS   8  12.426  -3.754   0.849
   38    HE1  HIS   8           1HE      HIS   8   9.821  -6.274   3.092
   39    H    LEU   9           H        LEU   9  10.134   1.212   0.592
   40    HA   LEU   9           HA       LEU   9   7.409   0.970   1.615
   41    HB2  LEU   9           1HB      LEU   9   8.788   2.931  -0.254
   42    HB3  LEU   9           2HB      LEU   9   7.058   2.933  -0.040
   43    HG   LEU   9           HG       LEU   9   8.016   4.664   1.269
   44   HD11  LEU   9          1HD1      LEU   9   7.046   2.489   3.152
   45   HD12  LEU   9          2HD1      LEU   9   5.998   3.498   2.127
   46   HD13  LEU   9          3HD1      LEU   9   6.979   4.241   3.402
   47   HD21  LEU   9          3HD2      LEU   9   9.446   4.303   3.211
   48   HD22  LEU   9          1HD2      LEU   9  10.247   3.771   1.725
   49   HD23  LEU   9          2HD2      LEU   9   9.560   2.573   2.841
   50    H    TYR  10           H        TYR  10   5.626   0.358   0.642
   51    HA   TYR  10           HA       TYR  10   5.599  -0.347  -2.257
   52    HB2  TYR  10           1HB      TYR  10   4.291  -1.833   0.052
   53    HB3  TYR  10           2HB      TYR  10   3.889  -2.081  -1.642
   54    HD1  TYR  10           1HD      TYR  10   6.605  -2.446   0.876
   55    HD2  TYR  10           2HD      TYR  10   5.296  -3.344  -3.133
   56    HE1  TYR  10           1HE      TYR  10   8.500  -4.054   0.614
   57    HE2  TYR  10           2HE      TYR  10   7.173  -4.956  -3.387
   58    HH   TYR  10           HH       TYR  10   9.001  -5.920  -2.404
   59    H    TYR  11           H        TYR  11   3.766   0.269  -3.377
   60    HA   TYR  11           HA       TYR  11   2.115   2.389  -2.059
   61    HB2  TYR  11           1HB      TYR  11   3.292   2.324  -4.857
   62    HB3  TYR  11           2HB      TYR  11   2.285   3.594  -4.189
   63    HD1  TYR  11           1HD      TYR  11   5.627   1.930  -3.905
   64    HD2  TYR  11           2HD      TYR  11   3.221   5.359  -2.863
   65    HE1  TYR  11           1HE      TYR  11   7.647   3.077  -3.014
   66    HE2  TYR  11           2HE      TYR  11   5.246   6.509  -1.988
   67    HH   TYR  11           HH       TYR  11   7.503   6.363  -1.592
   68    H    CYS  12           H        CYS  12  -0.020   2.564  -2.544
   69    HA   CYS  12           HA       CYS  12  -1.404   0.232  -3.386
   70    HB2  CYS  12           1HB      CYS  12  -2.106   1.888  -1.677
   71    HB3  CYS  12           2HB      CYS  12  -2.413   3.063  -2.966
   72    H    SER  13           H        SER  13  -2.799  -0.148  -5.026
   73    HA   SER  13           HA       SER  13  -2.119   1.017  -7.673
   74    HB2  SER  13           1HB      SER  13  -3.788  -1.418  -6.949
   75    HB3  SER  13           2HB      SER  13  -3.340  -0.907  -8.588
   76    HG   SER  13           HG       SER  13  -1.928  -2.522  -7.773
   77    H    GLN  14           H        GLN  14  -4.554   1.428  -5.297
   78    HA   GLN  14           HA       GLN  14  -6.490   2.494  -7.335
   79    HB2  GLN  14           1HB      GLN  14  -7.133   0.995  -4.773
   80    HB3  GLN  14           2HB      GLN  14  -8.302   1.739  -5.870
   81    HG2  GLN  14           1HG      GLN  14  -7.431   0.235  -7.717
   82    HG3  GLN  14           2HG      GLN  14  -6.426  -0.575  -6.512
   83   HE21  GLN  14          1HE2      GLN  14  -7.461  -2.626  -6.745
   84   HE22  GLN  14          2HE2      GLN  14  -9.125  -2.880  -6.229
   85    H    CYS  15           H        CYS  15  -4.624   3.382  -4.605
   86    HA   CYS  15           HA       CYS  15  -5.818   6.043  -4.685
   87    HB2  CYS  15           1HB      CYS  15  -6.309   6.251  -2.358
   88    HB3  CYS  15           2HB      CYS  15  -7.168   4.845  -2.967
   89    H    HIS  16           H        HIS  16  -4.527   7.251  -2.634
   90    HA   HIS  16           HA       HIS  16  -1.783   7.371  -3.668
   91    HB2  HIS  16           1HB      HIS  16  -3.338   9.343  -3.346
   92    HB3  HIS  16           2HB      HIS  16  -3.146   9.136  -1.606
   93    HD1  HIS  16           1HD      HIS  16  -1.142  10.530  -0.630
   94    HD2  HIS  16           2HD      HIS  16  -0.870   9.730  -4.753
   95    HE1  HIS  16           1HE      HIS  16   0.903  11.801  -1.470
   96    H    TYR  17           H        TYR  17  -3.115   5.503  -1.248
   97    HA   TYR  17           HA       TYR  17  -1.423   5.917   0.992
   98    HB2  TYR  17           1HB      TYR  17  -3.546   4.713   1.053
   99    HB3  TYR  17           2HB      TYR  17  -2.884   3.449   0.025
  100    HD1  TYR  17           1HD      TYR  17  -2.829   4.909   3.435
  101    HD2  TYR  17           2HD      TYR  17  -1.471   1.697   0.898
  102    HE1  TYR  17           1HE      TYR  17  -2.186   3.580   5.448
  103    HE2  TYR  17           2HE      TYR  17  -0.829   0.374   2.909
  104    HH   TYR  17           HH       TYR  17  -0.827   0.276   5.202
  105    H    SER  18           H        SER  18   0.374   4.886   1.795
  106    HA   SER  18           HA       SER  18   1.673   2.728   0.338
  107    HB2  SER  18           1HB      SER  18   3.881   3.761   0.254
  108    HB3  SER  18           2HB      SER  18   2.710   4.693  -0.693
  109    HG   SER  18           HG       SER  18   4.018   6.057   0.598
  110    H    SER  19           H        SER  19   3.214   1.566   1.590
  111    HA   SER  19           HA       SER  19   3.607   2.282   4.417
  112    HB2  SER  19           1HB      SER  19   1.373   1.013   4.215
  113    HB3  SER  19           2HB      SER  19   2.346  -0.405   3.784
  114    HG   SER  19           HG       SER  19   2.244   1.073   6.204
  115    H    ILE  20           H        ILE  20   5.125   0.823   5.518
  116    HA   ILE  20           HA       ILE  20   7.230  -0.188   3.725
  117    HB   ILE  20           HB       ILE  20   8.394  -0.822   5.847
  118   HG12  ILE  20          1HG1      ILE  20   6.242   0.849   7.231
  119   HG13  ILE  20          2HG1      ILE  20   6.387  -0.903   7.354
  120   HG21  ILE  20          1HG2      ILE  20   7.679   2.120   5.524
  121   HG22  ILE  20          2HG2      ILE  20   9.164   1.457   6.240
  122   HG23  ILE  20          3HG2      ILE  20   8.843   1.216   4.528
  123   HD11  ILE  20          3HD1      ILE  20   7.361   0.067   9.314
  124   HD12  ILE  20          1HD1      ILE  20   8.671  -0.628   8.338
  125   HD13  ILE  20          2HD1      ILE  20   8.402   1.133   8.361
  126    H    THR  21           H        THR  21   7.628  -2.195   3.199
  127    HA   THR  21           HA       THR  21   7.409  -4.386   2.808
  128    HB   THR  21           HB       THR  21   6.212  -4.679   5.574
  129    HG1  THR  21           1HG      THR  21   8.319  -5.050   6.161
  130   HG21  THR  21          3HG2      THR  21   5.862  -6.731   4.306
  131   HG22  THR  21          1HG2      THR  21   7.205  -6.970   5.424
  132   HG23  THR  21          2HG2      THR  21   7.537  -6.692   3.701
  133    H    LYS  22           H        LYS  22   6.158  -5.608   1.572
  134    HA   LYS  22           HA       LYS  22   3.728  -4.537   0.672
  135    HB2  LYS  22           1HB      LYS  22   3.607  -6.491  -0.810
  136    HB3  LYS  22           2HB      LYS  22   5.191  -5.730  -0.780
  137    HG2  LYS  22           1HG      LYS  22   6.044  -7.512   0.722
  138    HG3  LYS  22           2HG      LYS  22   4.450  -8.297   0.684
  139    HD2  LYS  22           1HD      LYS  22   4.664  -8.609  -1.772
  140    HD3  LYS  22           2HD      LYS  22   6.193  -7.726  -1.757
  141    HE2  LYS  22           1HE      LYS  22   6.750 -10.029  -1.879
  142    HE3  LYS  22           2HE      LYS  22   7.180  -9.471  -0.263
  143    HZ1  LYS  22           3HZ      LYS  22   4.711 -10.990  -0.947
  144    HZ2  LYS  22           1HZ      LYS  22   5.128 -10.510   0.563
  145    HZ3  LYS  22           2HZ      LYS  22   6.027 -11.619  -0.222
  146    H    ASN  23           H        ASN  23   4.039  -6.957   3.195
  147    HA   ASN  23           HA       ASN  23   1.311  -7.880   3.096
  148    HB2  ASN  23           1HB      ASN  23   3.194  -9.026   4.284
  149    HB3  ASN  23           2HB      ASN  23   3.214  -7.722   5.478
  150   HD21  ASN  23          1HD2      ASN  23   1.372 -10.505   4.257
  151   HD22  ASN  23          2HD2      ASN  23   0.276 -10.561   5.629
  152    H    CYS  24           H        CYS  24   2.790  -4.993   4.585
  153    HA   CYS  24           HA       CYS  24   0.431  -4.188   6.067
  154    HB2  CYS  24           1HB      CYS  24   2.885  -2.637   5.162
  155    HB3  CYS  24           2HB      CYS  24   1.674  -2.067   6.319
  156    HG   CYS  24           HG       CYS  24   4.006  -2.923   7.410
  157    H    LEU  25           H        LEU  25   1.573  -3.640   2.731
  158    HA   LEU  25           HA       LEU  25  -0.564  -1.869   2.092
  159    HB2  LEU  25           1HB      LEU  25   1.519  -1.814   0.826
  160    HB3  LEU  25           2HB      LEU  25   1.290  -3.493   0.324
  161    HG   LEU  25           HG       LEU  25  -0.770  -2.844  -0.926
  162   HD11  LEU  25          1HD1      LEU  25  -1.436  -0.831   0.368
  163   HD12  LEU  25          2HD1      LEU  25  -1.248  -0.471  -1.337
  164   HD13  LEU  25          3HD1      LEU  25   0.029   0.011  -0.198
  165   HD21  LEU  25          3HD2      LEU  25   1.436  -2.908  -2.034
  166   HD22  LEU  25          1HD2      LEU  25   1.652  -1.181  -1.664
  167   HD23  LEU  25          2HD2      LEU  25   0.347  -1.709  -2.746
  168    H    LYS  26           H        LYS  26  -0.031  -5.393   1.674
  169    HA   LYS  26           HA       LYS  26  -2.360  -6.023   0.241
  170    HB2  LYS  26           1HB      LYS  26  -0.426  -7.535   0.699
  171    HB3  LYS  26           2HB      LYS  26  -1.000  -7.745   2.361
  172    HG2  LYS  26           1HG      LYS  26  -3.105  -8.731   1.516
  173    HG3  LYS  26           2HG      LYS  26  -2.577  -8.456  -0.155
  174    HD2  LYS  26           1HD      LYS  26  -0.651  -9.984   0.210
  175    HD3  LYS  26           2HD      LYS  26  -1.184 -10.252   1.886
  176    HE2  LYS  26           1HE      LYS  26  -3.342 -11.158   1.055
  177    HE3  LYS  26           2HE      LYS  26  -2.825 -10.880  -0.612
  178    HZ1  LYS  26           3HZ      LYS  26  -2.448 -13.181   0.055
  179    HZ2  LYS  26           1HZ      LYS  26  -1.491 -12.730   1.295
  180    HZ3  LYS  26           2HZ      LYS  26  -1.012 -12.470  -0.247
  181    H    ARG  27           H        ARG  27  -2.049  -5.873   3.820
  182    HA   ARG  27           HA       ARG  27  -4.831  -6.442   4.303
  183    HB2  ARG  27           1HB      ARG  27  -4.463  -5.734   6.570
  184    HB3  ARG  27           2HB      ARG  27  -3.119  -6.728   6.013
  185    HG2  ARG  27           1HG      ARG  27  -1.779  -4.642   5.638
  186    HG3  ARG  27           2HG      ARG  27  -3.128  -3.685   6.260
  187    HD2  ARG  27           1HD      ARG  27  -1.576  -3.917   8.036
  188    HD3  ARG  27           2HD      ARG  27  -2.967  -4.944   8.417
  189    HE   ARG  27           HE       ARG  27  -0.872  -6.430   7.047
  190   HH11  ARG  27          2HH1      ARG  27  -1.701  -5.189  10.226
  191   HH12  ARG  27          1HH1      ARG  27  -0.716  -6.371  11.042
  192   HH21  ARG  27          2HH2      ARG  27   0.394  -7.880   8.155
  193   HH22  ARG  27          1HH2      ARG  27   0.427  -7.855   9.900
  194    H    HIS  28           H        HIS  28  -3.255  -3.321   3.608
  195    HA   HIS  28           HA       HIS  28  -5.608  -1.698   4.038
  196    HB2  HIS  28           1HB      HIS  28  -3.584  -0.524   3.893
  197    HB3  HIS  28           2HB      HIS  28  -3.055  -1.354   2.447
  198    HD1  HIS  28           1HD      HIS  28  -5.155   1.621   3.488
  199    HD2  HIS  28           2HD      HIS  28  -4.052  -0.542   0.059
  200    HE1  HIS  28           1HE      HIS  28  -5.847   3.056   1.516
  201    H    VAL  29           H        VAL  29  -4.350  -3.353   1.079
  202    HA   VAL  29           HA       VAL  29  -6.522  -2.545  -0.602
  203    HB   VAL  29           HB       VAL  29  -4.714  -4.983  -0.817
  204   HG11  VAL  29          1HG1      VAL  29  -5.314  -4.948  -3.231
  205   HG12  VAL  29          2HG1      VAL  29  -6.712  -5.320  -2.223
  206   HG13  VAL  29          3HG1      VAL  29  -6.522  -3.687  -2.906
  207   HG21  VAL  29          3HG2      VAL  29  -4.587  -2.261  -2.207
  208   HG22  VAL  29          1HG2      VAL  29  -3.502  -2.792  -0.913
  209   HG23  VAL  29          2HG2      VAL  29  -3.483  -3.625  -2.462
  210    H    ILE  30           H        ILE  30  -6.172  -5.471   1.444
  211    HA   ILE  30           HA       ILE  30  -8.673  -6.667   0.764
  212    HB   ILE  30           HB       ILE  30  -6.887  -6.832   3.210
  213   HG12  ILE  30          1HG1      ILE  30  -7.499  -8.892   1.041
  214   HG13  ILE  30          2HG1      ILE  30  -6.167  -7.759   0.919
  215   HG21  ILE  30          1HG2      ILE  30  -9.142  -7.378   4.025
  216   HG22  ILE  30          2HG2      ILE  30  -9.386  -8.498   2.665
  217   HG23  ILE  30          3HG2      ILE  30  -8.185  -8.838   3.926
  218   HD11  ILE  30          3HD1      ILE  30  -5.305  -9.851   1.707
  219   HD12  ILE  30          1HD1      ILE  30  -5.198  -8.681   3.038
  220   HD13  ILE  30          2HD1      ILE  30  -6.470  -9.929   3.030
  221    H    GLN  31           H        GLN  31  -7.924  -4.272   3.350
  222    HA   GLN  31           HA       GLN  31 -10.675  -4.366   4.326
  223    HB2  GLN  31           1HB      GLN  31  -8.257  -2.693   5.085
  224    HB3  GLN  31           2HB      GLN  31  -9.808  -2.573   5.901
  225    HG2  GLN  31           1HG      GLN  31  -8.178  -5.149   5.708
  226    HG3  GLN  31           2HG      GLN  31  -8.141  -4.039   7.069
  227   HE21  GLN  31          1HE2      GLN  31  -8.776  -6.654   7.596
  228   HE22  GLN  31          2HE2      GLN  31 -10.490  -6.770   7.971
  229    H    LYS  32           H        LYS  32  -8.907  -2.120   2.224
  230    HA   LYS  32           HA       LYS  32 -11.165  -0.163   2.366
  231    HB2  LYS  32           1HB      LYS  32  -8.333   0.198   1.319
  232    HB3  LYS  32           2HB      LYS  32  -9.536   1.459   1.538
  233    HG2  LYS  32           1HG      LYS  32  -8.215  -0.151   3.767
  234    HG3  LYS  32           2HG      LYS  32  -7.875   1.517   3.314
  235    HD2  LYS  32           1HD      LYS  32 -10.207   2.160   3.919
  236    HD3  LYS  32           2HD      LYS  32 -10.511   0.490   4.454
  237    HE2  LYS  32           1HE      LYS  32  -8.662   0.673   6.095
  238    HE3  LYS  32           2HE      LYS  32  -8.353   2.333   5.571
  239    HZ1  LYS  32           3HZ      LYS  32  -9.749   2.278   7.559
  240    HZ2  LYS  32           1HZ      LYS  32 -10.886   1.384   6.807
  241    HZ3  LYS  32           2HZ      LYS  32 -10.599   2.919   6.323
  242    H    HIS  33           H        HIS  33  -9.894  -2.433   0.094
  243    HA   HIS  33           HA       HIS  33 -11.342  -1.073  -2.148
  244    HB2  HIS  33           1HB      HIS  33  -8.597  -2.370  -2.252
  245    HB3  HIS  33           2HB      HIS  33  -9.455  -1.660  -3.605
  246    HD1  HIS  33           1HD      HIS  33 -10.305   1.132  -2.253
  247    HD2  HIS  33           2HD      HIS  33  -6.563  -0.764  -2.070
  248    HE1  HIS  33           1HE      HIS  33  -8.624   2.973  -1.783
  249    H    SER  34           H        SER  34 -11.316  -2.587  -4.136
  250    HA   SER  34           HA       SER  34 -12.058  -5.386  -3.421
  251    HB2  SER  34           1HB      SER  34 -13.912  -5.258  -5.016
  252    HB3  SER  34           2HB      SER  34 -14.107  -4.094  -3.697
  253    HG   SER  34           HG       SER  34 -14.552  -3.156  -5.746
  254    H    ASN  35           H        ASN  35 -12.137  -6.809  -5.372
  255    HA   ASN  35           HA       ASN  35  -9.961  -6.179  -7.325
  256    HB2  ASN  35           1HB      ASN  35  -9.079  -7.631  -5.570
  257    HB3  ASN  35           2HB      ASN  35 -10.457  -8.724  -5.736
  258   HD21  ASN  35          1HD2      ASN  35  -9.515 -10.605  -6.501
  259   HD22  ASN  35          2HD2      ASN  35  -8.663 -10.671  -8.042
  260    H    ILE  36           H        ILE  36 -10.155  -6.970  -9.374
  261    HA   ILE  36           HA       ILE  36 -12.741  -8.171 -10.218
  262    HB   ILE  36           HB       ILE  36 -12.359  -5.763 -10.746
  263   HG12  ILE  36          1HG1      ILE  36 -12.554  -7.479 -13.234
  264   HG13  ILE  36          2HG1      ILE  36 -13.848  -7.305 -12.041
  265   HG21  ILE  36          1HG2      ILE  36  -9.885  -5.883 -11.168
  266   HG22  ILE  36          2HG2      ILE  36 -10.218  -6.739 -12.688
  267   HG23  ILE  36          3HG2      ILE  36 -10.770  -5.072 -12.453
  268   HD11  ILE  36          3HD1      ILE  36 -12.664  -5.076 -13.752
  269   HD12  ILE  36          1HD1      ILE  36 -14.268  -5.807 -13.899
  270   HD13  ILE  36          2HD1      ILE  36 -13.874  -4.839 -12.466
  271    H    LEU  37           H        LEU  37  -9.428  -8.812  -9.985
  272    HA   LEU  37           HA       LEU  37  -9.286 -10.523 -12.417
  273    HB2  LEU  37           1HB      LEU  37  -7.094  -9.531 -10.557
  274    HB3  LEU  37           2HB      LEU  37  -6.857 -10.469 -12.022
  275    HG   LEU  37           HG       LEU  37  -7.944  -7.623 -11.878
  276   HD11  LEU  37          1HD1      LEU  37  -5.541  -7.831 -11.385
  277   HD12  LEU  37          2HD1      LEU  37  -5.815  -7.032 -12.942
  278   HD13  LEU  37          3HD1      LEU  37  -5.298  -8.735 -12.898
  279   HD21  LEU  37          3HD2      LEU  37  -7.701  -7.641 -14.353
  280   HD22  LEU  37          1HD2      LEU  37  -8.927  -8.789 -13.809
  281   HD23  LEU  37          2HD2      LEU  37  -7.322  -9.378 -14.298
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1  25.731  -1.074  -3.372
    2    H2   GLY   1           2H       GLY   1  25.291   0.242  -4.243
    3    H3   GLY   1           3H       GLY   1  24.416  -1.140  -4.346
    4    HA2  GLY   1           1HA      GLY   1  24.675   0.557  -1.945
    5    HA3  GLY   1           2HA      GLY   1  23.247   0.468  -2.994
    6    H    SER   2           H        SER   2  22.083  -0.114  -1.025
    7    HA   SER   2           HA       SER   2  22.606  -2.464   0.499
    8    HB2  SER   2           1HB      SER   2  19.968  -1.014   0.071
    9    HB3  SER   2           2HB      SER   2  20.343  -2.152   1.378
   10    HG   SER   2           HG       SER   2  20.605   0.045   2.026
   11    H    SER   3           H        SER   3  21.643  -4.501   0.545
   12    HA   SER   3           HA       SER   3  20.793  -5.585  -2.055
   13    HB2  SER   3           1HB      SER   3  22.458  -6.732  -0.602
   14    HB3  SER   3           2HB      SER   3  21.174  -7.023   0.589
   15    HG   SER   3           HG       SER   3  21.481  -8.790  -0.878
   16    H    GLY   4           H        GLY   4  18.839  -6.515  -2.536
   17    HA2  GLY   4           1HA      GLY   4  16.581  -6.962  -2.487
   18    HA3  GLY   4           2HA      GLY   4  16.704  -7.057  -0.735
   19    H    SER   5           H        SER   5  14.496  -6.226  -0.946
   20    HA   SER   5           HA       SER   5  14.223  -3.305  -1.445
   21    HB2  SER   5           1HB      SER   5  12.089  -5.428  -1.098
   22    HB3  SER   5           2HB      SER   5  11.826  -3.729  -1.539
   23    HG   SER   5           HG       SER   5  11.866  -5.118  -3.378
   24    H    SER   6           H        SER   6  15.199  -4.851   1.170
   25    HA   SER   6           HA       SER   6  13.378  -4.465   3.242
   26    HB2  SER   6           1HB      SER   6  16.407  -4.230   3.375
   27    HB3  SER   6           2HB      SER   6  15.316  -4.529   4.744
   28    HG   SER   6           HG       SER   6  16.216  -6.476   3.901
   29    H    GLY   7           H        GLY   7  12.517  -2.769   4.232
   30    HA2  GLY   7           1HA      GLY   7  12.247  -0.680   5.166
   31    HA3  GLY   7           2HA      GLY   7  13.909  -0.270   4.749
   32    H    HIS   8           H        HIS   8  12.438  -1.239   1.862
   33    HA   HIS   8           HA       HIS   8  12.039   1.541   0.985
   34    HB2  HIS   8           1HB      HIS   8  13.242  -0.254  -0.356
   35    HB3  HIS   8           2HB      HIS   8  11.666  -1.003  -0.622
   36    HD1  HIS   8           1HD      HIS   8  13.378   2.441  -1.275
   37    HD2  HIS   8           2HD      HIS   8  10.358  -0.115  -2.719
   38    HE1  HIS   8           1HE      HIS   8  12.494   3.515  -3.411
   39    H    LEU   9           H        LEU   9  10.068   2.201  -0.180
   40    HA   LEU   9           HA       LEU   9   7.665   1.316   1.295
   41    HB2  LEU   9           1HB      LEU   9   8.108   3.671  -0.559
   42    HB3  LEU   9           2HB      LEU   9   6.601   3.309   0.275
   43    HG   LEU   9           HG       LEU   9   9.247   4.022   1.614
   44   HD11  LEU   9          1HD1      LEU   9   8.079   6.082   2.255
   45   HD12  LEU   9          2HD1      LEU   9   6.621   5.548   1.387
   46   HD13  LEU   9          3HD1      LEU   9   8.114   5.909   0.493
   47   HD21  LEU   9          3HD2      LEU   9   6.513   3.426   2.833
   48   HD22  LEU   9          1HD2      LEU   9   7.870   4.179   3.702
   49   HD23  LEU   9          2HD2      LEU   9   8.029   2.530   3.105
   50    H    TYR  10           H        TYR  10   5.831   0.622   0.478
   51    HA   TYR  10           HA       TYR  10   5.652  -0.271  -2.367
   52    HB2  TYR  10           1HB      TYR  10   4.436  -1.512   0.136
   53    HB3  TYR  10           2HB      TYR  10   4.173  -2.053  -1.514
   54    HD1  TYR  10           1HD      TYR  10   6.774  -1.718   1.154
   55    HD2  TYR  10           2HD      TYR  10   5.699  -3.531  -2.610
   56    HE1  TYR  10           1HE      TYR  10   8.718  -3.265   1.343
   57    HE2  TYR  10           2HE      TYR  10   7.627  -5.090  -2.410
   58    HH   TYR  10           HH       TYR  10   9.392  -5.774  -1.131
   59    H    TYR  11           H        TYR  11   3.762   0.315  -3.449
   60    HA   TYR  11           HA       TYR  11   2.049   2.340  -2.057
   61    HB2  TYR  11           1HB      TYR  11   3.076   2.292  -4.910
   62    HB3  TYR  11           2HB      TYR  11   1.981   3.487  -4.237
   63    HD1  TYR  11           1HD      TYR  11   5.476   2.189  -4.121
   64    HD2  TYR  11           2HD      TYR  11   2.770   5.310  -2.869
   65    HE1  TYR  11           1HE      TYR  11   7.409   3.557  -3.369
   66    HE2  TYR  11           2HE      TYR  11   4.714   6.685  -2.121
   67    HH   TYR  11           HH       TYR  11   8.096   5.557  -2.482
   68    H    CYS  12           H        CYS  12  -0.101   2.474  -2.460
   69    HA   CYS  12           HA       CYS  12  -1.537   0.133  -3.212
   70    HB2  CYS  12           1HB      CYS  12  -2.232   1.817  -1.560
   71    HB3  CYS  12           2HB      CYS  12  -2.435   3.011  -2.853
   72    H    SER  13           H        SER  13  -3.014  -0.201  -4.865
   73    HA   SER  13           HA       SER  13  -2.181   0.761  -7.538
   74    HB2  SER  13           1HB      SER  13  -3.576  -1.098  -8.359
   75    HB3  SER  13           2HB      SER  13  -2.328  -1.632  -7.221
   76    HG   SER  13           HG       SER  13  -4.362  -2.582  -6.758
   77    H    GLN  14           H        GLN  14  -4.630   1.498  -5.246
   78    HA   GLN  14           HA       GLN  14  -6.347   2.741  -7.381
   79    HB2  GLN  14           1HB      GLN  14  -7.225   1.325  -4.843
   80    HB3  GLN  14           2HB      GLN  14  -8.283   2.244  -5.922
   81    HG2  GLN  14           1HG      GLN  14  -7.601   0.681  -7.801
   82    HG3  GLN  14           2HG      GLN  14  -6.753  -0.297  -6.599
   83   HE21  GLN  14          1HE2      GLN  14  -8.277  -2.020  -7.434
   84   HE22  GLN  14          2HE2      GLN  14  -9.884  -2.078  -6.720
   85    H    CYS  15           H        CYS  15  -4.576   3.454  -4.496
   86    HA   CYS  15           HA       CYS  15  -5.601   6.205  -4.596
   87    HB2  CYS  15           1HB      CYS  15  -6.199   6.375  -2.303
   88    HB3  CYS  15           2HB      CYS  15  -7.081   5.021  -2.985
   89    H    HIS  16           H        HIS  16  -4.378   7.370  -2.547
   90    HA   HIS  16           HA       HIS  16  -1.604   7.404  -3.469
   91    HB2  HIS  16           1HB      HIS  16  -3.267   9.377  -3.034
   92    HB3  HIS  16           2HB      HIS  16  -2.774   9.218  -1.354
   93    HD1  HIS  16           1HD      HIS  16   0.328   8.977  -1.608
   94    HD2  HIS  16           2HD      HIS  16  -2.089  11.433  -4.013
   95    HE1  HIS  16           1HE      HIS  16   1.859  10.829  -2.507
   96    H    TYR  17           H        TYR  17  -3.038   5.522  -1.129
   97    HA   TYR  17           HA       TYR  17  -1.363   5.831   1.150
   98    HB2  TYR  17           1HB      TYR  17  -3.494   4.662   1.204
   99    HB3  TYR  17           2HB      TYR  17  -2.886   3.435   0.097
  100    HD1  TYR  17           1HD      TYR  17  -2.712   4.722   3.574
  101    HD2  TYR  17           2HD      TYR  17  -1.447   1.636   0.839
  102    HE1  TYR  17           1HE      TYR  17  -1.924   3.342   5.492
  103    HE2  TYR  17           2HE      TYR  17  -0.648   0.262   2.763
  104    HH   TYR  17           HH       TYR  17  -0.951   1.376   6.152
  105    H    SER  18           H        SER  18   0.420   4.763   1.913
  106    HA   SER  18           HA       SER  18   1.740   2.699   0.325
  107    HB2  SER  18           1HB      SER  18   3.943   3.758   0.381
  108    HB3  SER  18           2HB      SER  18   2.781   4.749  -0.516
  109    HG   SER  18           HG       SER  18   3.998   6.047   0.892
  110    H    SER  19           H        SER  19   3.338   1.507   1.476
  111    HA   SER  19           HA       SER  19   3.546   1.886   4.406
  112    HB2  SER  19           1HB      SER  19   1.555   0.371   3.936
  113    HB3  SER  19           2HB      SER  19   2.702  -0.790   3.239
  114    HG   SER  19           HG       SER  19   2.446   0.138   5.907
  115    H    ILE  20           H        ILE  20   5.208   0.444   5.367
  116    HA   ILE  20           HA       ILE  20   7.548   0.345   3.599
  117    HB   ILE  20           HB       ILE  20   7.488   1.396   5.873
  118   HG12  ILE  20          1HG1      ILE  20   9.710  -0.648   5.529
  119   HG13  ILE  20          2HG1      ILE  20   9.559   0.833   4.577
  120   HG21  ILE  20          1HG2      ILE  20   7.731   0.049   7.866
  121   HG22  ILE  20          2HG2      ILE  20   6.272  -0.484   7.032
  122   HG23  ILE  20          3HG2      ILE  20   7.758  -1.452   6.923
  123   HD11  ILE  20          3HD1      ILE  20   9.945   0.669   7.594
  124   HD12  ILE  20          1HD1      ILE  20  11.124   1.201   6.385
  125   HD13  ILE  20          2HD1      ILE  20   9.672   2.175   6.682
  126    H    THR  21           H        THR  21   5.172  -1.888   4.158
  127    HA   THR  21           HA       THR  21   6.906  -3.955   2.972
  128    HB   THR  21           HB       THR  21   6.083  -5.787   4.238
  129    HG1  THR  21           1HG      THR  21   4.782  -4.069   6.026
  130   HG21  THR  21          3HG2      THR  21   8.055  -4.702   5.247
  131   HG22  THR  21          1HG2      THR  21   7.014  -5.488   6.448
  132   HG23  THR  21          2HG2      THR  21   6.985  -3.721   6.276
  133    H    LYS  22           H        LYS  22   5.868  -5.375   1.580
  134    HA   LYS  22           HA       LYS  22   3.291  -4.675   0.493
  135    HB2  LYS  22           1HB      LYS  22   3.504  -6.699  -0.838
  136    HB3  LYS  22           2HB      LYS  22   4.980  -5.745  -0.869
  137    HG2  LYS  22           1HG      LYS  22   6.020  -7.300   0.790
  138    HG3  LYS  22           2HG      LYS  22   4.533  -8.271   0.788
  139    HD2  LYS  22           1HD      LYS  22   4.819  -8.699  -1.640
  140    HD3  LYS  22           2HD      LYS  22   6.304  -7.722  -1.637
  141    HE2  LYS  22           1HE      LYS  22   7.318  -9.274   0.019
  142    HE3  LYS  22           2HE      LYS  22   5.840 -10.244   0.023
  143    HZ1  LYS  22           3HZ      LYS  22   7.586  -9.815  -2.346
  144    HZ2  LYS  22           1HZ      LYS  22   6.219 -10.712  -2.342
  145    HZ3  LYS  22           2HZ      LYS  22   7.510 -11.186  -1.466
  146    H    ASN  23           H        ASN  23   4.214  -6.700   3.166
  147    HA   ASN  23           HA       ASN  23   1.829  -8.284   3.376
  148    HB2  ASN  23           1HB      ASN  23   4.088  -8.774   4.387
  149    HB3  ASN  23           2HB      ASN  23   3.839  -7.450   5.527
  150   HD21  ASN  23          1HD2      ASN  23   2.695 -10.680   4.543
  151   HD22  ASN  23          2HD2      ASN  23   1.897 -11.010   6.070
  152    H    CYS  24           H        CYS  24   2.784  -5.176   4.963
  153    HA   CYS  24           HA       CYS  24   0.194  -4.765   6.210
  154    HB2  CYS  24           1HB      CYS  24   2.541  -2.940   5.570
  155    HB3  CYS  24           2HB      CYS  24   1.087  -2.395   6.424
  156    HG   CYS  24           HG       CYS  24   3.024  -2.800   8.150
  157    H    LEU  25           H        LEU  25   1.599  -3.627   3.075
  158    HA   LEU  25           HA       LEU  25  -0.588  -2.099   2.291
  159    HB2  LEU  25           1HB      LEU  25   1.603  -2.117   1.160
  160    HB3  LEU  25           2HB      LEU  25   1.288  -3.755   0.578
  161    HG   LEU  25           HG       LEU  25  -0.619  -2.936  -0.775
  162   HD11  LEU  25          1HD1      LEU  25  -0.886  -0.493  -1.133
  163   HD12  LEU  25          2HD1      LEU  25   0.262  -0.175   0.186
  164   HD13  LEU  25          3HD1      LEU  25  -1.309  -0.954   0.510
  165   HD21  LEU  25          3HD2      LEU  25   1.916  -1.347  -1.266
  166   HD22  LEU  25          1HD2      LEU  25   0.689  -1.816  -2.463
  167   HD23  LEU  25          2HD2      LEU  25   1.688  -3.059  -1.702
  168    H    LYS  26           H        LYS  26  -0.142  -5.650   1.910
  169    HA   LYS  26           HA       LYS  26  -2.499  -6.188   0.437
  170    HB2  LYS  26           1HB      LYS  26  -0.639  -7.790   0.926
  171    HB3  LYS  26           2HB      LYS  26  -1.233  -7.940   2.589
  172    HG2  LYS  26           1HG      LYS  26  -3.392  -8.821   1.732
  173    HG3  LYS  26           2HG      LYS  26  -2.846  -8.566   0.071
  174    HD2  LYS  26           1HD      LYS  26  -2.649 -10.900   0.593
  175    HD3  LYS  26           2HD      LYS  26  -1.019 -10.229   0.435
  176    HE2  LYS  26           1HE      LYS  26  -0.819 -10.105   2.904
  177    HE3  LYS  26           2HE      LYS  26  -2.481 -10.687   3.080
  178    HZ1  LYS  26           3HZ      LYS  26  -0.878 -12.496   3.344
  179    HZ2  LYS  26           1HZ      LYS  26  -0.260 -12.242   1.855
  180    HZ3  LYS  26           2HZ      LYS  26  -1.796 -12.774   2.025
  181    H    ARG  27           H        ARG  27  -2.160  -5.830   3.992
  182    HA   ARG  27           HA       ARG  27  -4.968  -6.324   4.546
  183    HB2  ARG  27           1HB      ARG  27  -2.749  -4.982   6.142
  184    HB3  ARG  27           2HB      ARG  27  -4.414  -5.079   6.726
  185    HG2  ARG  27           1HG      ARG  27  -4.389  -7.537   6.499
  186    HG3  ARG  27           2HG      ARG  27  -2.704  -7.485   5.964
  187    HD2  ARG  27           1HD      ARG  27  -3.690  -6.396   8.644
  188    HD3  ARG  27           2HD      ARG  27  -3.106  -8.039   8.431
  189    HE   ARG  27           HE       ARG  27  -1.501  -5.606   8.584
  190   HH11  ARG  27          2HH1      ARG  27  -1.416  -8.948   7.466
  191   HH12  ARG  27          1HH1      ARG  27   0.340  -8.940   7.440
  192   HH21  ARG  27          2HH2      ARG  27   0.770  -5.784   8.540
  193   HH22  ARG  27          1HH2      ARG  27   1.463  -7.298   8.002
  194    H    HIS  28           H        HIS  28  -3.251  -3.299   3.700
  195    HA   HIS  28           HA       HIS  28  -5.563  -1.596   4.021
  196    HB2  HIS  28           1HB      HIS  28  -3.444  -0.550   3.770
  197    HB3  HIS  28           2HB      HIS  28  -3.079  -1.410   2.286
  198    HD1  HIS  28           1HD      HIS  28  -5.030   1.620   3.500
  199    HD2  HIS  28           2HD      HIS  28  -4.191  -0.532  -0.013
  200    HE1  HIS  28           1HE      HIS  28  -5.811   3.091   1.589
  201    H    VAL  29           H        VAL  29  -4.376  -3.454   1.163
  202    HA   VAL  29           HA       VAL  29  -6.529  -2.674  -0.555
  203    HB   VAL  29           HB       VAL  29  -4.702  -5.099  -0.669
  204   HG11  VAL  29          1HG1      VAL  29  -6.513  -3.925  -2.820
  205   HG12  VAL  29          2HG1      VAL  29  -5.281  -5.175  -3.082
  206   HG13  VAL  29          3HG1      VAL  29  -6.682  -5.532  -2.072
  207   HG21  VAL  29          3HG2      VAL  29  -4.632  -2.436  -2.174
  208   HG22  VAL  29          1HG2      VAL  29  -3.544  -2.877  -0.848
  209   HG23  VAL  29          2HG2      VAL  29  -3.487  -3.780  -2.359
  210    H    ILE  30           H        ILE  30  -6.264  -5.509   1.622
  211    HA   ILE  30           HA       ILE  30  -8.777  -6.689   0.955
  212    HB   ILE  30           HB       ILE  30  -7.099  -6.760   3.474
  213   HG12  ILE  30          1HG1      ILE  30  -7.633  -8.929   1.393
  214   HG13  ILE  30          2HG1      ILE  30  -6.288  -7.817   1.250
  215   HG21  ILE  30          1HG2      ILE  30  -8.476  -8.709   4.203
  216   HG22  ILE  30          2HG2      ILE  30  -9.437  -7.248   4.149
  217   HG23  ILE  30          3HG2      ILE  30  -9.575  -8.437   2.837
  218   HD11  ILE  30          3HD1      ILE  30  -5.392  -8.607   3.444
  219   HD12  ILE  30          1HD1      ILE  30  -6.691  -9.825   3.505
  220   HD13  ILE  30          2HD1      ILE  30  -5.494  -9.880   2.209
  221    H    GLN  31           H        GLN  31  -8.022  -4.165   3.403
  222    HA   GLN  31           HA       GLN  31 -10.780  -4.064   4.342
  223    HB2  GLN  31           1HB      GLN  31  -8.182  -2.711   4.988
  224    HB3  GLN  31           2HB      GLN  31  -9.637  -1.822   5.368
  225    HG2  GLN  31           1HG      GLN  31  -8.763  -3.192   7.258
  226    HG3  GLN  31           2HG      GLN  31 -10.459  -3.439   6.857
  227   HE21  GLN  31          1HE2      GLN  31  -7.285  -4.932   5.807
  228   HE22  GLN  31          2HE2      GLN  31  -7.879  -6.568   6.086
  229    H    LYS  32           H        LYS  32  -8.911  -2.053   2.064
  230    HA   LYS  32           HA       LYS  32 -11.187  -0.128   1.910
  231    HB2  LYS  32           1HB      LYS  32  -8.303   0.141   0.988
  232    HB3  LYS  32           2HB      LYS  32  -9.509   1.414   0.985
  233    HG2  LYS  32           1HG      LYS  32  -8.284   0.057   3.422
  234    HG3  LYS  32           2HG      LYS  32  -8.006   1.698   2.865
  235    HD2  LYS  32           1HD      LYS  32 -10.609   0.611   4.021
  236    HD3  LYS  32           2HD      LYS  32  -9.451   1.672   4.823
  237    HE2  LYS  32           1HE      LYS  32  -9.860   3.430   3.106
  238    HE3  LYS  32           2HE      LYS  32 -11.049   2.383   2.320
  239    HZ1  LYS  32           3HZ      LYS  32 -12.363   2.442   4.376
  240    HZ2  LYS  32           1HZ      LYS  32 -12.121   3.957   3.822
  241    HZ3  LYS  32           2HZ      LYS  32 -11.265   3.414   5.100
  242    H    HIS  33           H        HIS  33  -9.628  -2.446  -0.214
  243    HA   HIS  33           HA       HIS  33 -11.121  -1.240  -2.530
  244    HB2  HIS  33           1HB      HIS  33  -8.326  -2.414  -2.484
  245    HB3  HIS  33           2HB      HIS  33  -9.157  -1.781  -3.900
  246    HD1  HIS  33           1HD      HIS  33 -10.078   1.005  -3.228
  247    HD2  HIS  33           2HD      HIS  33  -6.622  -0.705  -1.573
  248    HE1  HIS  33           1HE      HIS  33  -8.696   2.953  -2.357
  249    H    SER  34           H        SER  34 -10.453  -4.252  -0.892
  250    HA   SER  34           HA       SER  34 -11.262  -5.928  -3.155
  251    HB2  SER  34           1HB      SER  34 -10.873  -6.625  -0.228
  252    HB3  SER  34           2HB      SER  34 -11.132  -7.778  -1.549
  253    HG   SER  34           HG       SER  34  -8.990  -5.906  -1.356
  254    H    ASN  35           H        ASN  35 -13.137  -7.173  -3.351
  255    HA   ASN  35           HA       ASN  35 -15.421  -6.725  -1.549
  256    HB2  ASN  35           1HB      ASN  35 -16.904  -5.945  -3.330
  257    HB3  ASN  35           2HB      ASN  35 -15.559  -4.834  -3.132
  258   HD21  ASN  35          1HD2      ASN  35 -16.987  -7.313  -5.297
  259   HD22  ASN  35          2HD2      ASN  35 -16.012  -6.820  -6.676
  260    H    ILE  36           H        ILE  36 -17.231  -8.102  -1.970
  261    HA   ILE  36           HA       ILE  36 -16.574 -10.747  -3.057
  262    HB   ILE  36           HB       ILE  36 -18.645 -11.497  -2.240
  263   HG12  ILE  36          1HG1      ILE  36 -20.210  -9.759  -2.784
  264   HG13  ILE  36          2HG1      ILE  36 -20.331 -10.208  -1.098
  265   HG21  ILE  36          1HG2      ILE  36 -18.405 -11.131   0.146
  266   HG22  ILE  36          2HG2      ILE  36 -16.824 -11.294  -0.631
  267   HG23  ILE  36          3HG2      ILE  36 -17.402  -9.696  -0.129
  268   HD11  ILE  36          3HD1      ILE  36 -20.620  -7.830  -1.300
  269   HD12  ILE  36          1HD1      ILE  36 -19.082  -8.115  -0.474
  270   HD13  ILE  36          2HD1      ILE  36 -19.111  -7.643  -2.196
  271    H    LEU  37           H        LEU  37 -18.123 -11.844  -4.519
  272    HA   LEU  37           HA       LEU  37 -19.190 -10.086  -6.690
  273    HB2  LEU  37           1HB      LEU  37 -17.684 -12.719  -6.963
  274    HB3  LEU  37           2HB      LEU  37 -18.460 -11.859  -8.283
  275    HG   LEU  37           HG       LEU  37 -16.102 -10.802  -6.658
  276   HD11  LEU  37          1HD1      LEU  37 -16.259 -11.917  -9.490
  277   HD12  LEU  37          2HD1      LEU  37 -15.531 -12.729  -8.086
  278   HD13  LEU  37          3HD1      LEU  37 -14.816 -11.232  -8.706
  279   HD21  LEU  37          3HD2      LEU  37 -15.951  -9.097  -8.455
  280   HD22  LEU  37          1HD2      LEU  37 -17.468  -8.956  -7.560
  281   HD23  LEU  37          2HD2      LEU  37 -17.459  -9.713  -9.167