*HEADER    TRANSCRIPTION                           26-JAN-15   2RV2              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF14) 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 907-935;                                      
*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: P060718-08                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RV2    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=72,78,76,77, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=78,84,82,83, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,88,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=100,94,98,99, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=97,91,95,96, &end
#
#  chirality for residue 9 atoms:  CG N HD2 HD3
 &rst iat=94,90,92,93, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=90,102,101,97, &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=104,122,107,108, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=126,131,129,130, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=128,134,132,133, &end
#
#  chirality for residue 11 atoms:  CD NZ HE2 HE3
 &rst iat=134,140,138,139, &end
#
#  chirality for residue 11 atoms:  CG CE HD2 HD3
 &rst iat=131,137,135,136, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=124,144,127,128, &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 CD1 CD2 HG
 &rst iat=171,176,180,175, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=167,184,170,171, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=198,203,201,202, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=200,206,204,205, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=196,209,199,200, &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:  N C HA CB
 &rst iat=232,240,235,236, &end
#
#  chirality for residue 19 atoms:  CA CG2 OG1 HB
 &rst iat=244,248,252,247, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=242,254,245,246, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=258,263,261,262, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=260,266,264,265, &end
#
#  chirality for residue 20 atoms:  CG NE HD2 HD3
 &rst iat=263,269,267,268, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=256,278,259,260, &end
#
#  chirality for residue 21 atoms:  CA OG HB2 HB3
 &rst iat=282,287,285,286, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=280,289,283,284, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=293,298,296,297, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=295,301,299,300, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=301,307,305,306, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=298,304,302,303, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=291,311,294,295, &end
#
#  chirality for residue 23 atoms:  CA OG HB2 HB3
 &rst iat=315,320,318,319, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=313,322,316,317, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=326,331,329,330, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=324,336,327,328, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=340,345,343,344, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=342,347,351,346, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=338,355,341,342, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=359,364,362,363, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=361,367,365,366, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=367,373,371,372, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=364,370,368,369, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=357,377,360,361, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=379,387,382,383, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=391,396,394,395, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=389,404,392,393, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=408,413,411,412, &end
#
#  chirality for residue 29 atoms:  CB SD HG2 HG3
 &rst iat=410,416,414,415, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=406,421,409,410, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=423,435,426,427, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=439,444,442,443, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=441,447,445,446, &end
#
#  chirality for residue 31 atoms:  CG NE HD2 HD3
 &rst iat=444,450,448,449, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=437,459,440,441, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=463,468,466,467, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=461,476,464,465, &end
#
#  chirality for residue 33 atoms:  CA OG HB2 HB3
 &rst iat=480,485,483,484, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=478,487,481,482, &end
#
#  chirality for residue 34 atoms:  CA CG2 OG1 HB
 &rst iat=491,495,499,494, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=489,501,492,493, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=505,510,508,509, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=507,513,511,512, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=503,516,506,507, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=520,525,523,524, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=522,528,526,527, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=528,534,532,533, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=525,531,529,530, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=518,538,521,522, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=70,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=100,90,88,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=106,104,102,100, &end
#
#  trans-omega constraint for residue 11
 &rst iat=126,124,122,106, &end
#
#  trans-omega constraint for residue 12
 &rst iat=148,146,144,126, &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=188,186,184,169, &end
#
#  trans-omega constraint for residue 16
 &rst iat=198,196,194,188, &end
#
#  trans-omega constraint for residue 17
 &rst iat=213,211,209,198, &end
#
#  trans-omega constraint for residue 18
 &rst iat=234,232,230,213, &end
#
#  trans-omega constraint for residue 19
 &rst iat=244,242,240,234, &end
#
#  trans-omega constraint for residue 20
 &rst iat=258,256,254,244, &end
#
#  trans-omega constraint for residue 21
 &rst iat=282,280,278,258, &end
#
#  trans-omega constraint for residue 22
 &rst iat=293,291,289,282, &end
#
#  trans-omega constraint for residue 23
 &rst iat=315,313,311,293, &end
#
#  trans-omega constraint for residue 24
 &rst iat=326,324,322,315, &end
#
#  trans-omega constraint for residue 25
 &rst iat=340,338,336,326, &end
#
#  trans-omega constraint for residue 26
 &rst iat=359,357,355,340, &end
#
#  trans-omega constraint for residue 27
 &rst iat=381,379,377,359, &end
#
#  trans-omega constraint for residue 28
 &rst iat=391,389,387,381, &end
#
#  trans-omega constraint for residue 29
 &rst iat=408,406,404,391, &end
#
#  trans-omega constraint for residue 30
 &rst iat=425,423,421,408, &end
#
#  trans-omega constraint for residue 31
 &rst iat=439,437,435,425, &end
#
#  trans-omega constraint for residue 32
 &rst iat=463,461,459,439, &end
#
#  trans-omega constraint for residue 33
 &rst iat=480,478,476,463, &end
#
#  trans-omega constraint for residue 34
 &rst iat=491,489,487,480, &end
#
#  trans-omega constraint for residue 35
 &rst iat=505,503,501,491, &end
#
#  trans-omega constraint for residue 36
 &rst iat=520,518,516,505, &end
#
# 7 GLY QA 8 LYS HA 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr1=  64,  65,
 &end
#
# 7 GLY QA 8 LYS HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  64,  65,
 &end
#
# 7 GLY QA 8 LYS HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  64,  65,
 &end
#
# 7 GLY QA 8 LYS QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  64,  65,
 igr2=  73,  74,
 &end
#
# 7 GLY QA 8 LYS QD 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=  64,  65,
 igr2=  79,  80,
 &end
#
# 7 GLY QA 8 LYS QE 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  64,  65,
 igr2=  82,  83,
 &end
#
# 7 GLY QA 8 LYS QG 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=  64,  65,
 igr2=  76,  77,
 &end
#
# 8 LYS HA 18 ALA QB 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 237, 238, 239,
 &end
#
# 8 LYS HA 20 ARG HG2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 264, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 8 LYS HA 20 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LYS HA 8 LYS HG2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 8 LYS HA 8 LYS HG3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  77, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 8 LYS HA 8 LYS QD 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=  79,  80,
 &end
#
# 8 LYS HA 8 LYS QE 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=  82,  83,
 &end
#
# 8 LYS HA 8 LYS QG 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=  76,  77,
 &end
#
# 8 LYS HA 9 PRO HD2 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  92, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 8 LYS HA 9 PRO HD3 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  93, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 8 LYS HA 9 PRO HG2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  95, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 8 LYS HA 9 PRO HG3 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  96, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 8 LYS HG2 20 ARG QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 267, 268,
 &end
#
# 8 LYS HG2 9 PRO HD2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  92, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 8 LYS HG3 20 ARG QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 267, 268,
 &end
#
# 8 LYS HG3 9 PRO HD2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  92, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 8 LYS HN 8 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  79,  80,
 &end
#
# 8 LYS HN 8 LYS QE 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=  82,  83,
 &end
#
# 8 LYS QB 10 PHE HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 18 ALA QB 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=  73,  74,
 igr2= 237, 238, 239,
 &end
#
# 8 LYS QB 19 THR HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 8 LYS QE 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=  73,  74,
 igr2=  82,  83,
 &end
#
# 8 LYS QB 9 PRO HD2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 9 PRO HD3 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=  73,  74,
 &end
#
# 8 LYS QE 18 ALA QB 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=  82,  83,
 igr2= 237, 238, 239,
 &end
#
# 8 LYS QG 20 ARG HG2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=  76,  77,
 &end
#
# 8 LYS QG 20 ARG QD 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=  76,  77,
 igr2= 267, 268,
 &end
#
# 8 LYS QG 8 LYS QE 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=  76,  77,
 igr2=  82,  83,
 &end
#
# 8 LYS QG 9 PRO HD2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=  76,  77,
 &end
#
# 8 LYS QG 9 PRO HD3 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=  76,  77,
 &end
#
# 9 PRO HA 10 PHE QD 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 113, 121,
 &end
#
# 9 PRO HA 10 PHE QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 115, 119,
 &end
#
# 9 PRO HA 20 ARG QD 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 267, 268,
 &end
#
# 9 PRO HB2 10 PHE HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 105, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 9 PRO HB3 10 PHE HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 105, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 9 PRO HD2 10 PHE HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 105, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 9 PRO HD2 10 PHE QD 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 113, 121,
 &end
#
# 9 PRO HD2 10 PHE QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 115, 119,
 &end
#
# 9 PRO HD2 18 ALA QB 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 237, 238, 239,
 &end
#
# 9 PRO HD2 20 ARG HA 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 259, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 9 PRO HD2 20 ARG HG2 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 264, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 9 PRO HD2 20 ARG HG3 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 265, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 9 PRO HD2 20 ARG QB 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 261, 262,
 &end
#
# 9 PRO HD2 20 ARG QD 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 267, 268,
 &end
#
# 9 PRO HD3 10 PHE HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 105, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 9 PRO HD3 20 ARG HA 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 259, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 9 PRO HD3 20 ARG HG2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 264, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 9 PRO HD3 20 ARG HG3 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 265, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 9 PRO HG2 10 PHE HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 105, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 9 PRO HG2 10 PHE QD 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 113, 121,
 &end
#
# 9 PRO HG2 10 PHE QE 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 115, 119,
 &end
#
# 9 PRO HG2 18 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
# 9 PRO HG2 20 ARG HA 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 259, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 9 PRO HG3 10 PHE HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 105, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 9 PRO HG3 10 PHE QD 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 113, 121,
 &end
#
# 9 PRO HG3 10 PHE QE 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 115, 119,
 &end
#
# 9 PRO HG3 20 ARG HA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 259, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 9 PRO HG3 20 ARG QD 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 267, 268,
 &end
#
# 9 PRO QB 10 PHE HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=  98,  99,
 &end
#
# 9 PRO QB 10 PHE QD 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  98,  99,
 igr2= 113, 121,
 &end
#
# 9 PRO QB 10 PHE QE 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  98,  99,
 igr2= 115, 119,
 &end
#
# 9 PRO QB 20 ARG HA 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=  98,  99,
 &end
#
# 9 PRO QB 20 ARG QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  98,  99,
 igr2= 267, 268,
 &end
#
# 10 PHE HA 10 PHE QD 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 113, 121,
 &end
#
# 10 PHE HA 10 PHE QE 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 115, 119,
 &end
#
# 10 PHE HA 11 LYS HN 2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 125, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 10 PHE HA 11 LYS QB 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 129, 130,
 &end
#
# 10 PHE HA 12 CYM  HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 PHE HA 25 LEU QD2 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 352, 353, 354,
 &end
#
# 10 PHE HB2 11 LYS HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 125, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 10 PHE HB2 19 THR HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 243, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 10 PHE HB2 19 THR QG2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 249, 250, 251,
 &end
#
# 10 PHE HB2 25 LEU HB2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 343, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 10 PHE HB2 25 LEU HB3 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 344, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 10 PHE HB2 25 LEU HG 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 346, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 10 PHE HB2 25 LEU HN 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 339, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 10 PHE HB2 25 LEU QD2 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 352, 353, 354,
 &end
#
# 10 PHE HB3 11 LYS HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 125, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 10 PHE HB3 19 THR HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 243, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 10 PHE HB3 19 THR QG2 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 249, 250, 251,
 &end
#
# 10 PHE HB3 25 LEU HB2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 343, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 10 PHE HB3 25 LEU HB3 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 344, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 10 PHE HB3 25 LEU HG 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 346, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 10 PHE HB3 25 LEU QD2 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 352, 353, 354,
 &end
#
# 10 PHE HN 10 PHE HB2 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 10 PHE HN 10 PHE HB3 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 10 PHE HN 10 PHE QD 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 113, 121,
 &end
#
# 10 PHE HN 10 PHE QE 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 115, 119,
 &end
#
# 10 PHE HN 11 LYS HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 125, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 10 PHE HN 18 ALA HA 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 235, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 10 PHE HN 18 ALA QB 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 237, 238, 239,
 &end
#
# 10 PHE HN 19 THR HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 243, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 10 PHE HN 19 THR QG2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 249, 250, 251,
 &end
#
# 10 PHE HN 20 ARG HA 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 259, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 10 PHE HN 25 LEU QD2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 352, 353, 354,
 &end
#
# 10 PHE HZ 22 LYS HB2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 296, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 10 PHE HZ 22 LYS HB3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 297, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 10 PHE HZ 22 LYS QB 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 296, 297,
 &end
#
# 10 PHE HZ 22 LYS QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 302, 303,
 &end
#
# 10 PHE HZ 22 LYS QE 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 305, 306,
 &end
#
# 10 PHE HZ 22 LYS QG 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 299, 300,
 &end
#
# 10 PHE QD 10 PHE HZ 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 113, 121,
 &end
#
# 10 PHE QD 11 LYS HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 113, 121,
 &end
#
# 10 PHE QD 19 THR QG2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 113, 121,
 igr2= 249, 250, 251,
 &end
#
# 10 PHE QD 20 ARG HA 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 113, 121,
 &end
#
# 10 PHE QD 22 LYS HA 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 113, 121,
 &end
#
# 10 PHE QD 22 LYS QE 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 113, 121,
 igr2= 305, 306,
 &end
#
# 10 PHE QD 22 LYS QG 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 113, 121,
 igr2= 299, 300,
 &end
#
# 10 PHE QD 25 LEU QD2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 113, 121,
 igr2= 352, 353, 354,
 &end
#
# 10 PHE QE 19 THR QG2 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 115, 119,
 igr2= 249, 250, 251,
 &end
#
# 10 PHE QE 20 ARG HA 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 115, 119,
 &end
#
# 10 PHE QE 22 LYS HA 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 115, 119,
 &end
#
# 10 PHE QE 22 LYS HB2 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 115, 119,
 &end
#
# 10 PHE QE 22 LYS HB3 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 115, 119,
 &end
#
# 10 PHE QE 22 LYS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 115, 119,
 &end
#
# 10 PHE QE 22 LYS HD3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 115, 119,
 &end
#
# 10 PHE QE 22 LYS QD 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 115, 119,
 igr2= 302, 303,
 &end
#
# 10 PHE QE 22 LYS QE 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 119,
 igr2= 305, 306,
 &end
#
# 10 PHE QE 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= 115, 119,
 igr2= 299, 300,
 &end
#
# 10 PHE QE 25 LEU QD2 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 115, 119,
 igr2= 352, 353, 354,
 &end
#
# 11 LYS HB2 11 LYS QE 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 138, 139,
 &end
#
# 11 LYS HB2 12 CYM  HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 147, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 11 LYS HB2 18 ALA QB 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 237, 238, 239,
 &end
#
# 11 LYS HB2 25 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 352, 353, 354,
 &end
#
# 11 LYS HB3 11 LYS QE 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 138, 139,
 &end
#
# 11 LYS HB3 12 CYM  HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 147, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 11 LYS HB3 18 ALA QB 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 237, 238, 239,
 &end
#
# 11 LYS HB3 25 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 352, 353, 354,
 &end
#
# 11 LYS HG2 16 GLU HA 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 199, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 11 LYS HG3 16 GLU HA 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 199, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 11 LYS HN 11 LYS HB2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 129, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 11 LYS HN 11 LYS HB3 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 130, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 11 LYS HN 11 LYS HG2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 132, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 11 LYS HN 11 LYS HG3 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 133, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 11 LYS HN 11 LYS QB 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 129, 130,
 &end
#
# 11 LYS HN 12 CYM  HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 147, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 11 LYS HN 18 ALA QB 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 237, 238, 239,
 &end
#
# 11 LYS HN 25 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 348, 349, 350,
 &end
#
# 11 LYS HN 25 LEU QD2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 352, 353, 354,
 &end
#
# 11 LYS QB 11 LYS QD 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 129, 130,
 igr2= 135, 136,
 &end
#
# 11 LYS QB 11 LYS QE 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 129, 130,
 igr2= 138, 139,
 &end
#
# 11 LYS QB 12 CYM  HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 129, 130,
 &end
#
# 11 LYS QD 12 CYM  HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 135, 136,
 &end
#
# 11 LYS QD 16 GLU HA 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 135, 136,
 &end
#
# 11 LYS QD 18 ALA QB 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 135, 136,
 igr2= 237, 238, 239,
 &end
#
# 11 LYS QE 12 CYM  HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 138, 139,
 &end
#
# 11 LYS QE 16 GLU HA 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 138, 139,
 &end
#
# 11 LYS QE 16 GLU QB 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 138, 139,
 igr2= 201, 202,
 &end
#
# 11 LYS QE 16 GLU QG 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 138, 139,
 igr2= 204, 205,
 &end
#
# 11 LYS QE 18 ALA QB 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 138, 139,
 igr2= 237, 238, 239,
 &end
#
# 11 LYS QG 12 CYM  HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 132, 133,
 &end
#
# 11 LYS QG 18 ALA QB 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 132, 133,
 igr2= 237, 238, 239,
 &end
#
# 12 CYM  HA 13 SER HN 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 12 CYM  HA 13 SER QB 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 161, 162,
 &end
#
# 12 CYM  HA 14 LEU HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 168, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 12 CYM  HA 15 CYM  HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 187, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 12 CYM  HA 25 LEU QD1 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HA 25 LEU QD2 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 352, 353, 354,
 &end
#
# 12 CYM  HA 29 MET QE 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 418, 419, 420,
 &end
#
# 12 CYM  HB2 13 SER HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 12 CYM  HB2 14 LEU HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 12 CYM  HB2 15 CYM  HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 187, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 12 CYM  HB2 17 TYR HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 CYM  HB2 17 TYR HB3 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 217, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 12 CYM  HB2 17 TYR QD 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 220, 229,
 &end
#
# 12 CYM  HB2 18 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
# 12 CYM  HB2 25 LEU QD1 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HB2 25 LEU QD2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 352, 353, 354,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 403, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 12 CYM  HB3 13 SER HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 157, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 12 CYM  HB3 14 LEU HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 168, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 187, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 12 CYM  HB3 17 TYR HA 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 214, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 12 CYM  HB3 17 TYR HB2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 12 CYM  HB3 17 TYR HB3 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 217, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 12 CYM  HB3 17 TYR HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 212, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 12 CYM  HB3 17 TYR QD 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 220, 229,
 &end
#
# 12 CYM  HB3 25 LEU QD1 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HB3 25 LEU QD2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 352, 353, 354,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 403, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 12 CYM  HB3 29 MET QE 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 418, 419, 420,
 &end
#
# 12 CYM  HN 12 CYM  HB2 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 151, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 12 CYM  HN 13 SER HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 157, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 12 CYM  HN 15 CYM  HN 5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 187, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 12 CYM  HN 17 TYR HB3 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 217, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 12 CYM  HN 17 TYR QD 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 220, 229,
 &end
#
# 12 CYM  HN 18 ALA HA 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 235, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 12 CYM  HN 18 ALA QB 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 237, 238, 239,
 &end
#
# 12 CYM  HN 25 LEU QD1 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HN 25 LEU QD2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 352, 353, 354,
 &end
#
# 12 CYM  HN 28 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 SER HN 13 SER QB 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 161, 162,
 &end
#
# 13 SER HN 14 LEU HG 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 175, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 13 SER HN 14 LEU HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 168, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 13 SER HN 14 LEU QD2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 181, 182, 183,
 &end
#
# 13 SER HN 25 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 348, 349, 350,
 &end
#
# 13 SER HN 25 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 352, 353, 354,
 &end
#
# 13 SER HN 29 MET QE 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 418, 419, 420,
 &end
#
# 13 SER QB 14 LEU HG 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 161, 162,
 &end
#
# 13 SER QB 14 LEU HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 161, 162,
 &end
#
# 13 SER QB 14 LEU QD1 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 161, 162,
 igr2= 177, 178, 179,
 &end
#
# 13 SER QB 14 LEU QD2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 161, 162,
 igr2= 181, 182, 183,
 &end
#
# 13 SER QB 29 MET QE 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 161, 162,
 igr2= 418, 419, 420,
 &end
#
# 14 LEU HA 14 LEU HG 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 175, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 14 LEU HA 14 LEU QD1 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 177, 178, 179,
 &end
#
# 14 LEU HA 14 LEU QD2 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 181, 182, 183,
 &end
#
# 14 LEU HB2 14 LEU QD1 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 177, 178, 179,
 &end
#
# 14 LEU HB2 15 CYM  HB2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 192, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 14 LEU HB2 15 CYM  HB3 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 191, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 14 LEU HB2 15 CYM  HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 187, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 14 LEU HB2 29 MET QE 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 418, 419, 420,
 &end
#
# 14 LEU HB2 32 HIS HD2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 475, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 14 LEU HB2 32 HIS HE1 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 472, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 14 LEU HB3 14 LEU QD1 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 177, 178, 179,
 &end
#
# 14 LEU HB3 14 LEU QD2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 181, 182, 183,
 &end
#
# 14 LEU HB3 15 CYM  HB3 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 191, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 14 LEU HB3 15 CYM  HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 187, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 14 LEU HB3 29 MET QE 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 418, 419, 420,
 &end
#
# 14 LEU HB3 32 HIS HD2 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 475, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 14 LEU HB3 32 HIS HE1 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 472, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 14 LEU HB3 32 HIS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 466, 467,
 &end
#
# 14 LEU HG 15 CYM  HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 187, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 14 LEU HG 29 MET QE 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 418, 419, 420,
 &end
#
# 14 LEU HG 32 HIS HD2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 475, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 14 LEU HN 14 LEU HB2 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 14 LEU HN 14 LEU HB3 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 14 LEU HN 14 LEU HG 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 14 LEU HN 14 LEU QD1 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 177, 178, 179,
 &end
#
# 14 LEU HN 14 LEU QD2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 181, 182, 183,
 &end
#
# 14 LEU HN 15 CYM  HA 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 14 LEU HN 15 CYM  HN 2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 187, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 14 LEU HN 29 MET QE 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 418, 419, 420,
 &end
#
# 14 LEU QD1 15 CYM  HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 177, 178, 179,
 &end
#
# 14 LEU QD1 29 MET HA 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 177, 178, 179,
 &end
#
# 14 LEU QD1 29 MET HG3 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 177, 178, 179,
 &end
#
# 14 LEU QD1 29 MET QE 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 177, 178, 179,
 igr2= 418, 419, 420,
 &end
#
# 14 LEU QD1 32 HIS HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 177, 178, 179,
 &end
#
# 14 LEU QD1 32 HIS HD2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 177, 178, 179,
 &end
#
# 14 LEU QD1 32 HIS HE1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 177, 178, 179,
 &end
#
# 14 LEU QD1 32 HIS HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 177, 178, 179,
 &end
#
# 14 LEU QD1 32 HIS QB 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 177, 178, 179,
 igr2= 466, 467,
 &end
#
# 14 LEU QD2 15 CYM  HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 181, 182, 183,
 &end
#
# 14 LEU QD2 29 MET QE 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 181, 182, 183,
 igr2= 418, 419, 420,
 &end
#
# 14 LEU QD2 32 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 181, 182, 183,
 &end
#
# 14 LEU QD2 32 HIS QB 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 181, 182, 183,
 igr2= 466, 467,
 &end
#
# 15 CYM  HA 16 GLU HN 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 197, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 15 CYM  HA 17 TYR HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 212, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 15 CYM  HA 32 HIS HE1 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 472, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 15 CYM  HB2 16 GLU HB2 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 201, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 15 CYM  HB2 16 GLU HB3 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 202, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 15 CYM  HB2 16 GLU HN 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 197, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 15 CYM  HB2 16 GLU QB 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 201, 202,
 &end
#
# 15 CYM  HB2 17 TYR HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 212, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 15 CYM  HB2 32 HIS HE1 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 472, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 15 CYM  HB3 16 GLU HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 197, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 15 CYM  HB3 17 TYR HB3 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 217, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 15 CYM  HB3 17 TYR HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 212, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 15 CYM  HB3 32 HIS HE1 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 15 CYM  HN 15 CYM  HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 15 CYM  HN 16 GLU HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 15 CYM  HN 17 TYR HB3 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 217, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 15 CYM  HN 17 TYR HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 212, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 15 CYM  HN 29 MET QE 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 418, 419, 420,
 &end
#
# 16 GLU HA 16 GLU HG2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 16 GLU HA 16 GLU HG3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 205, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 16 GLU HA 16 GLU QG 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 204, 205,
 &end
#
# 16 GLU HA 17 TYR HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 GLU HA 18 ALA QB 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 237, 238, 239,
 &end
#
# 16 GLU HB2 17 TYR HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 212, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 16 GLU HB3 17 TYR HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 212, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 16 GLU HN 16 GLU HB2 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 16 GLU HN 16 GLU HB3 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 16 GLU HN 16 GLU HG2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 204, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 16 GLU HN 16 GLU HG3 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 205, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 16 GLU HN 16 GLU QG 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 204, 205,
 &end
#
# 16 GLU HN 17 TYR HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 212, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 16 GLU QB 17 TYR HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 201, 202,
 &end
#
# 17 TYR HA 17 TYR QD 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 220, 229,
 &end
#
# 17 TYR HA 18 ALA HA 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 235, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 17 TYR HA 18 ALA HN 2.63
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 233, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
# 17 TYR HA 18 ALA QB 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 237, 238, 239,
 &end
#
# 17 TYR HA 28 HIS HE1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 TYR HB2 18 ALA HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 233, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 17 TYR HB2 25 LEU QD1 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 348, 349, 350,
 &end
#
# 17 TYR HB2 28 HIS HE1 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 400, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 17 TYR HB3 18 ALA HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 233, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 17 TYR HB3 28 HIS HD2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 403, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 17 TYR HB3 28 HIS HE1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 400, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 17 TYR HN 17 TYR HB2 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 216, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 17 TYR HN 17 TYR HB3 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 217, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 17 TYR HN 17 TYR QD 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 220, 229,
 &end
#
# 17 TYR HN 18 ALA HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 233, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 17 TYR HN 18 ALA QB 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 237, 238, 239,
 &end
#
# 17 TYR HN 25 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 348, 349, 350,
 &end
#
# 17 TYR HN 28 HIS HE1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 400, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 17 TYR QD 18 ALA HA 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 18 ALA HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 18 ALA QB 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 220, 229,
 igr2= 237, 238, 239,
 &end
#
# 17 TYR QD 19 THR HN 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 19 THR QG2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 220, 229,
 igr2= 249, 250, 251,
 &end
#
# 17 TYR QD 25 LEU HA 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 25 LEU HB2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 25 LEU HG 5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 25 LEU QD1 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 220, 229,
 igr2= 348, 349, 350,
 &end
#
# 17 TYR QD 25 LEU QD2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 220, 229,
 igr2= 352, 353, 354,
 &end
#
# 17 TYR QD 28 HIS HB3 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 28 HIS HD2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 220, 229,
 &end
#
# 17 TYR QD 28 HIS HE1 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 220, 229,
 &end
#
# 17 TYR QE 18 ALA HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 19 THR HB 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 19 THR HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 19 THR QG2 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 222, 227,
 igr2= 249, 250, 251,
 &end
#
# 17 TYR QE 24 ASN QB 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 222, 227,
 igr2= 329, 330,
 &end
#
# 17 TYR QE 25 LEU HA 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 25 LEU HB2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 25 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 25 LEU HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 25 LEU QD1 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 222, 227,
 igr2= 348, 349, 350,
 &end
#
# 17 TYR QE 25 LEU QD2 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 222, 227,
 igr2= 352, 353, 354,
 &end
#
# 17 TYR QE 26 LYS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 27 ALA QB 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= 384, 385, 386,
 &end
#
# 17 TYR QE 28 HIS HA 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 28 HIS HB2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 28 HIS HB3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 28 HIS HD2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 28 HIS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 222, 227,
 &end
#
# 17 TYR QE 29 MET HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 222, 227,
 &end
#
# 18 ALA HA 19 THR HN 2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 243, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 18 ALA HA 19 THR QG2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 249, 250, 251,
 &end
#
# 18 ALA HA 25 LEU QD1 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 348, 349, 350,
 &end
#
# 18 ALA HN 18 ALA QB 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 237, 238, 239,
 &end
#
# 18 ALA HN 19 THR HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 243, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 18 ALA QB 19 THR HA 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 237, 238, 239,
 &end
#
# 18 ALA QB 19 THR HN 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 237, 238, 239,
 &end
#
# 19 THR HA 19 THR QG2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 249, 250, 251,
 &end
#
# 19 THR HB 24 ASN QB 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 329, 330,
 &end
#
# 19 THR HB 25 LEU HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 339, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 19 THR HB 25 LEU QD1 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 348, 349, 350,
 &end
#
# 19 THR HN 19 THR HB 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 247, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 19 THR HN 19 THR QG2 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 249, 250, 251,
 &end
#
# 19 THR HN 25 LEU HB2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 343, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 19 THR HN 25 LEU QD1 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 348, 349, 350,
 &end
#
# 19 THR HN 25 LEU QD2 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 352, 353, 354,
 &end
#
# 19 THR QG2 21 SER HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 249, 250, 251,
 &end
#
# 19 THR QG2 21 SER QB 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 249, 250, 251,
 igr2= 285, 286,
 &end
#
# 19 THR QG2 22 LYS HA 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 249, 250, 251,
 &end
#
# 19 THR QG2 24 ASN QB 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 249, 250, 251,
 igr2= 329, 330,
 &end
#
# 19 THR QG2 25 LEU HA 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 249, 250, 251,
 &end
#
# 19 THR QG2 25 LEU HB2 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 249, 250, 251,
 &end
#
# 19 THR QG2 25 LEU HB3 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 344, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 249, 250, 251,
 &end
#
# 19 THR QG2 25 LEU HG 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 249, 250, 251,
 &end
#
# 19 THR QG2 25 LEU HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 249, 250, 251,
 &end
#
# 19 THR QG2 25 LEU QD1 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 249, 250, 251,
 igr2= 348, 349, 350,
 &end
#
# 19 THR QG2 25 LEU QD2 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 249, 250, 251,
 igr2= 352, 353, 354,
 &end
#
# 19 THR QG2 26 LYS HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 249, 250, 251,
 &end
#
# 19 THR QG2 28 HIS HB3 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 249, 250, 251,
 &end
#
# 20 ARG HA 20 ARG HG2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 20 ARG HA 20 ARG HG3 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 265, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 20 ARG HA 20 ARG QD 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 267, 268,
 &end
#
# 20 ARG HB2 20 ARG QD 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 267, 268,
 &end
#
# 20 ARG HB2 21 SER HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 281, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 20 ARG HB3 20 ARG QD 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 267, 268,
 &end
#
# 20 ARG HB3 21 SER HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 281, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 20 ARG HG2 21 SER HN 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 281, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 20 ARG QB 20 ARG QD 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 261, 262,
 igr2= 267, 268,
 &end
#
# 20 ARG QB 21 SER HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 261, 262,
 &end
#
# 21 SER HN 21 SER HB2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 21 SER HN 21 SER HB3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 286, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 21 SER HN 21 SER QB 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 285, 286,
 &end
#
# 21 SER HN 24 ASN QB 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 329, 330,
 &end
#
# 21 SER QB 24 ASN HA 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 285, 286,
 &end
#
# 21 SER QB 24 ASN HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 285, 286,
 &end
#
# 21 SER QB 24 ASN QB 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 285, 286,
 igr2= 329, 330,
 &end
#
# 21 SER QB 25 LEU HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 285, 286,
 &end
#
# 22 LYS HA 22 LYS QD 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 302, 303,
 &end
#
# 22 LYS HA 22 LYS QG 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 299, 300,
 &end
#
# 22 LYS HA 25 LEU HB2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 343, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 22 LYS HA 25 LEU HB3 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 344, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 22 LYS HA 25 LEU HG 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 346, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 22 LYS HA 25 LEU HN 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 339, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 22 LYS HA 25 LEU QD2 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 352, 353, 354,
 &end
#
# 22 LYS HA 26 LYS HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 358, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 22 LYS QB 23 SER HA 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 296, 297,
 &end
#
# 22 LYS QB 26 LYS HN 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 296, 297,
 &end
#
# 22 LYS QG 22 LYS QE 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 299, 300,
 igr2= 305, 306,
 &end
#
# 22 LYS QG 23 SER HA 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 299, 300,
 &end
#
# 23 SER HA 24 ASN HA 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 327, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 23 SER HA 25 LEU HN 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 339, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 23 SER HA 26 LYS HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 358, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 23 SER HA 26 LYS QB 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 362, 363,
 &end
#
# 23 SER HA 26 LYS QD 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 368, 369,
 &end
#
# 23 SER HA 26 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 365, 366,
 &end
#
# 23 SER HA 27 ALA HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 380, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 23 SER QB 24 ASN HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 318, 319,
 &end
#
# 23 SER QB 26 LYS QB 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 318, 319,
 igr2= 362, 363,
 &end
#
# 23 SER QB 27 ALA QB 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 318, 319,
 igr2= 384, 385, 386,
 &end
#
# 24 ASN HA 26 LYS HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 358, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 24 ASN HA 27 ALA HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 380, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 24 ASN HA 27 ALA QB 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 384, 385, 386,
 &end
#
# 24 ASN HA 28 HIS HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 390, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 24 ASN HN 24 ASN QB 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 329, 330,
 &end
#
# 24 ASN QB 25 LEU HB2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 329, 330,
 &end
#
# 24 ASN QB 25 LEU HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1= 329, 330,
 &end
#
# 24 ASN QB 26 LYS HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 329, 330,
 &end
#
# 24 ASN QB 27 ALA HN 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 329, 330,
 &end
#
# 24 ASN QB 27 ALA QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 329, 330,
 igr2= 384, 385, 386,
 &end
#
# 25 LEU HA 25 LEU HG 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 25 LEU HA 25 LEU QD1 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 348, 349, 350,
 &end
#
# 25 LEU HA 25 LEU QD2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 352, 353, 354,
 &end
#
# 25 LEU HA 27 ALA HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 380, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 25 LEU HA 28 HIS HA 5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 392, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 25 LEU HA 28 HIS HB2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 394, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 25 LEU HA 28 HIS HB3 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 395, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 25 LEU HA 28 HIS HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 390, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 25 LEU HB2 25 LEU QD1 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 348, 349, 350,
 &end
#
# 25 LEU HB2 25 LEU QD2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 352, 353, 354,
 &end
#
# 25 LEU HB2 26 LYS HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 25 LEU HB2 28 HIS HB3 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 395, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 25 LEU HB2 29 MET HG2 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 414, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 25 LEU HB3 25 LEU QD1 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 348, 349, 350,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 352, 353, 354,
 &end
#
# 25 LEU HB3 26 LYS HA 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 360, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 25 LEU HB3 26 LYS HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 358, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 25 LEU HG 26 LYS HA 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 360, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 25 LEU HG 26 LYS HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 358, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 25 LEU HG 29 MET HG2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 414, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 25 LEU HG 29 MET HG3 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 415, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 25 LEU HG 29 MET HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 407, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 25 LEU HN 25 LEU HB2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 25 LEU HN 25 LEU HB3 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 25 LEU HN 25 LEU HG 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 25 LEU HN 25 LEU QD1 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 348, 349, 350,
 &end
#
# 25 LEU HN 25 LEU QD2 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 352, 353, 354,
 &end
#
# 25 LEU HN 27 ALA HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 380, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 25 LEU HN 28 HIS HB3 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 395, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 25 LEU QD1 26 LYS HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 26 LYS HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 26 LYS QB 5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 348, 349, 350,
 igr2= 362, 363,
 &end
#
# 25 LEU QD1 27 ALA HN 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 27 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 348, 349, 350,
 igr2= 384, 385, 386,
 &end
#
# 25 LEU QD1 28 HIS HA 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 28 HIS HB2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 28 HIS HB3 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 28 HIS HD2 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 28 HIS HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 29 MET HG2 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 29 MET HG3 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 29 MET HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD1 29 MET QB 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 348, 349, 350,
 igr2= 411, 412,
 &end
#
# 25 LEU QD1 29 MET QE 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 348, 349, 350,
 igr2= 418, 419, 420,
 &end
#
# 25 LEU QD1 32 HIS HD2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 348, 349, 350,
 &end
#
# 25 LEU QD2 26 LYS HA 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 352, 353, 354,
 &end
#
# 25 LEU QD2 26 LYS HN 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 352, 353, 354,
 &end
#
# 26 LYS HA 26 LYS HG2 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 26 LYS HA 26 LYS HG3 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 366, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 26 LYS HA 26 LYS QD 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 368, 369,
 &end
#
# 26 LYS HA 26 LYS QE 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 371, 372,
 &end
#
# 26 LYS HA 26 LYS QG 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 365, 366,
 &end
#
# 26 LYS HA 27 ALA QB 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 384, 385, 386,
 &end
#
# 26 LYS HA 29 MET HG2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 414, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 26 LYS HA 29 MET HG3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 415, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 26 LYS HA 29 MET HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 407, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 26 LYS HA 29 MET QB 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 411, 412,
 &end
#
# 26 LYS HA 30 ASN HN 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 424, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 26 LYS HG2 27 ALA HN 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 380, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 26 LYS HG3 27 ALA HN 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 380, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 26 LYS HN 26 LYS HG2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 365, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 26 LYS HN 26 LYS HG3 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 366, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 26 LYS HN 26 LYS QB 2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2= 362, 363,
 &end
#
# 26 LYS HN 26 LYS QD 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 368, 369,
 &end
#
# 26 LYS HN 26 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 371, 372,
 &end
#
# 26 LYS HN 27 ALA HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 380, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 26 LYS HN 27 ALA QB 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 384, 385, 386,
 &end
#
# 26 LYS HN 29 MET HG2 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 414, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 26 LYS HN 29 MET HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 LYS HN 29 MET HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 26 LYS QB 26 LYS QE 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 362, 363,
 igr2= 371, 372,
 &end
#
# 26 LYS QB 27 ALA HA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 362, 363,
 &end
#
# 26 LYS QB 27 ALA HN 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 362, 363,
 &end
#
# 26 LYS QB 27 ALA QB 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 362, 363,
 igr2= 384, 385, 386,
 &end
#
# 26 LYS QB 28 HIS HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 362, 363,
 &end
#
# 26 LYS QD 27 ALA HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 368, 369,
 &end
#
# 26 LYS QD 27 ALA HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 368, 369,
 &end
#
# 26 LYS QE 27 ALA HA 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 371, 372,
 &end
#
# 26 LYS QE 27 ALA HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 371, 372,
 &end
#
# 26 LYS QE 27 ALA QB 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 371, 372,
 igr2= 384, 385, 386,
 &end
#
# 26 LYS QE 30 ASN QD2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 371, 372,
 igr2= 433, 434,
 &end
#
# 26 LYS QG 27 ALA HA 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 365, 366,
 &end
#
# 26 LYS QG 30 ASN QD2 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 365, 366,
 igr2= 433, 434,
 &end
#
# 27 ALA HA 29 MET HN 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 407, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 27 ALA HA 30 ASN HD21 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 433, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 27 ALA HA 30 ASN HD22 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 434, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 27 ALA HA 30 ASN HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 424, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 27 ALA HA 30 ASN QB 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 428, 429,
 &end
#
# 27 ALA HA 30 ASN QD2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 433, 434,
 &end
#
# 27 ALA HN 27 ALA QB 2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 384, 385, 386,
 &end
#
# 27 ALA HN 28 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 ALA HN 28 HIS HB3 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 395, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 27 ALA HN 28 HIS HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 390, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 27 ALA HN 29 MET HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 407, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 27 ALA HN 30 ASN QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 428, 429,
 &end
#
# 27 ALA QB 28 HIS HA 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 384, 385, 386,
 &end
#
# 27 ALA QB 28 HIS HB2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 384, 385, 386,
 &end
#
# 27 ALA QB 28 HIS HB3 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 384, 385, 386,
 &end
#
# 27 ALA QB 28 HIS HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 384, 385, 386,
 &end
#
# 27 ALA QB 29 MET HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 384, 385, 386,
 &end
#
# 27 ALA QB 30 ASN HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 384, 385, 386,
 &end
#
# 27 ALA QB 30 ASN QB 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 384, 385, 386,
 igr2= 428, 429,
 &end
#
# 27 ALA QB 30 ASN QD2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 384, 385, 386,
 igr2= 433, 434,
 &end
#
# 27 ALA QB 31 ARG QD 5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 384, 385, 386,
 igr2= 448, 449,
 &end
#
# 28 HIS HA 28 HIS HD2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 403, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 28 HIS HA 29 MET HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 HIS HA 30 ASN QB 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 428, 429,
 &end
#
# 28 HIS HA 31 ARG HB2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 442, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 28 HIS HA 31 ARG HB3 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 443, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 28 HIS HA 31 ARG HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 438, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 28 HIS HA 31 ARG QD 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 448, 449,
 &end
#
# 28 HIS HA 31 ARG QG 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 445, 446,
 &end
#
# 28 HIS HB2 29 MET HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 407, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 28 HIS HB3 28 HIS HD2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 28 HIS HB3 29 MET HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 407, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 28 HIS HB3 30 ASN HN 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 424, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 28 HIS HD2 29 MET HA 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 409, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 28 HIS HD2 29 MET HG2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 414, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 28 HIS HD2 29 MET HG3 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 415, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 28 HIS HD2 29 MET HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 407, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 28 HIS HD2 29 MET QB 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 411, 412,
 &end
#
# 28 HIS HD2 29 MET QE 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 418, 419, 420,
 &end
#
# 28 HIS HD2 32 HIS HD2 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 475, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 28 HIS HE1 31 ARG QD 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 448, 449,
 &end
#
# 28 HIS HN 28 HIS HB2 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 28 HIS HN 28 HIS HB3 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 395, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 28 HIS HN 28 HIS HD2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 403, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 28 HIS HN 29 MET HG2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 414, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 28 HIS HN 29 MET HN 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 407, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 28 HIS HN 29 MET QB 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 411, 412,
 &end
#
# 28 HIS HN 30 ASN HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 424, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 28 HIS HN 30 ASN QB 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 428, 429,
 &end
#
# 28 HIS HN 31 ARG QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 448, 449,
 &end
#
# 29 MET HA 29 MET HG2 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 414, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 29 MET HA 29 MET HG3 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 415, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 29 MET HA 29 MET QE 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 418, 419, 420,
 &end
#
# 29 MET HA 31 ARG HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 438, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 29 MET HA 32 HIS HD2 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 475, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 29 MET HA 32 HIS HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 462, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 29 MET HA 32 HIS QB 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 466, 467,
 &end
#
# 29 MET HG2 29 MET QE 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 418, 419, 420,
 &end
#
# 29 MET HG2 30 ASN HN 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 424, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 29 MET HG2 32 HIS HD2 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 475, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 29 MET HG3 29 MET QE 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 418, 419, 420,
 &end
#
# 29 MET HG3 32 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 MET HN 29 MET HG2 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 414, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 29 MET HN 29 MET HG3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 415, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 29 MET HN 29 MET QB 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 411, 412,
 &end
#
# 29 MET HN 29 MET QE 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 418, 419, 420,
 &end
#
# 29 MET HN 30 ASN HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 MET HN 30 ASN HN 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 424, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 29 MET HN 30 ASN QB 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 428, 429,
 &end
#
# 29 MET HN 32 HIS HD2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 475, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 29 MET QB 30 ASN HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 411, 412,
 &end
#
# 29 MET QB 30 ASN QB 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 411, 412,
 igr2= 428, 429,
 &end
#
# 29 MET QB 32 HIS HD2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 411, 412,
 &end
#
# 29 MET QE 30 ASN HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 418, 419, 420,
 &end
#
# 29 MET QE 32 HIS HD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 418, 419, 420,
 &end
#
# 29 MET QE 32 HIS HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 418, 419, 420,
 &end
#
# 29 MET QE 32 HIS QB 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 418, 419, 420,
 igr2= 466, 467,
 &end
#
# 30 ASN HA 30 ASN QD2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 433, 434,
 &end
#
# 30 ASN HA 33 SER QB 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 483, 484,
 &end
#
# 30 ASN HN 30 ASN QB 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 428, 429,
 &end
#
# 30 ASN HN 30 ASN QD2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 433, 434,
 &end
#
# 30 ASN HN 32 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 ASN QB 30 ASN HD21 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 428, 429,
 &end
#
# 30 ASN QB 30 ASN HD22 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 428, 429,
 &end
#
# 30 ASN QB 31 ARG HA 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 428, 429,
 &end
#
# 30 ASN QB 31 ARG HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 428, 429,
 &end
#
# 30 ASN QB 33 SER HB2 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 428, 429,
 &end
#
# 30 ASN QB 33 SER HB3 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 428, 429,
 &end
#
# 30 ASN QB 33 SER QB 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 428, 429,
 igr2= 483, 484,
 &end
#
# 31 ARG HA 31 ARG QD 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 448, 449,
 &end
#
# 31 ARG HA 31 ARG QG 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 445, 446,
 &end
#
# 31 ARG HA 34 THR QG2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 496, 497, 498,
 &end
#
# 31 ARG HB2 31 ARG QD 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 448, 449,
 &end
#
# 31 ARG HB2 32 HIS HA 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 31 ARG HB2 32 HIS HN 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 462, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 31 ARG HB3 31 ARG QD 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 448, 449,
 &end
#
# 31 ARG HB3 31 ARG QG 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 445, 446,
 &end
#
# 31 ARG HB3 32 HIS HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 462, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 31 ARG HN 31 ARG HB2 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 442, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 31 ARG HN 31 ARG HB3 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 443, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 31 ARG HN 31 ARG QD 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 448, 449,
 &end
#
# 31 ARG HN 31 ARG QG 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 445, 446,
 &end
#
# 31 ARG HN 32 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HN 32 HIS HN 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 31 ARG HN 32 HIS QB 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 466, 467,
 &end
#
# 31 ARG QG 32 HIS HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 445, 446,
 &end
#
# 32 HIS HN 32 HIS HD2 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 475, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 32 HIS HN 32 HIS QB 2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr2= 466, 467,
 &end
#
# 32 HIS QB 32 HIS HD2 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 466, 467,
 &end
#
# 33 SER HB2 34 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 496, 497, 498,
 &end
#
# 33 SER HB3 34 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 496, 497, 498,
 &end
#
# 34 THR HA 34 THR QG2 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 496, 497, 498,
 &end
#
# 34 THR HA 35 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 508, 509,
 &end
#
# 34 THR HN 34 THR QG2 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 496, 497, 498,
 &end
#
# 34 THR QG2 35 GLU HN 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 496, 497, 498,
 &end
#
# 35 GLU HA 36 LYS HN 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 519, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 35 GLU HA 36 LYS QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
# 35 GLU HB2 36 LYS HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 519, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 35 GLU HB3 36 LYS HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 519, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 35 GLU HN 35 GLU QB 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 508, 509,
 &end
#
# 35 GLU HN 35 GLU QG 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 511, 512,
 &end
#
# 35 GLU QB 36 LYS HN 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 508, 509,
 &end
#
# 35 GLU QG 36 LYS HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 511, 512,
 &end
#
# 36 LYS HA 36 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 529, 530,
 &end
#
# 36 LYS HN 36 LYS QD 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 529, 530,
 &end
#
# 36 LYS HN 36 LYS QG 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 526, 527,
 &end
#
# 36 LYS QG 36 LYS QE 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 526, 527,
 igr2= 532, 533,
 &end
# 541 atoms read from pdb file leap.pdb.
# 10 PHE PHI:  (9 PRO C)-(10 PHE N)-(10 PHE CA)-(10 PHE C) -137.0 -77.0
 &rst     iat =   102,   104,   106,   122,
   r1 = -138.0, r2 = -137.0, r3 = -77.0, r4 = -76.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 10 PHE PSI:  (10 PHE N)-(10 PHE CA)-(10 PHE C)-(11 LYS N)  91.0 151.0
 &rst     iat =   104,   106,   122,   124,
   r1 =  90.0, r2 =  91.0, r3 = 151.0, r4 = 152.0,
 &end
# 11 LYS PHI:  (10 PHE C)-(11 LYS N)-(11 LYS CA)-(11 LYS C) -131.0 -71.0
 &rst     iat =   122,   124,   126,   144,
   r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0,
 &end
# 11 LYS PSI:  (11 LYS N)-(11 LYS CA)-(11 LYS C)-(12 CYM N)  95.0 155.0
 &rst     iat =   124,   126,   144,   146,
   r1 =  94.0, r2 =  95.0, r3 = 155.0, r4 = 156.0,
 &end
# 17 TYR PHI:  (16 GLU C)-(17 TYR N)-(17 TYR CA)-(17 TYR C) -102.0 -42.0
 &rst     iat =   209,   211,   213,   230,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end
# 17 TYR PSI:  (17 TYR N)-(17 TYR CA)-(17 TYR C)-(18 ALA N) 101.0 161.0
 &rst     iat =   211,   213,   230,   232,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end
# 18 ALA PHI:  (17 TYR C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -150.0 -90.0
 &rst     iat =   230,   232,   234,   240,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end
# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 THR N) 120.0 180.0
 &rst     iat =   232,   234,   240,   242,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end
# 19 THR PHI:  (18 ALA C)-(19 THR N)-(19 THR CA)-(19 THR C) -157.0 -97.0
 &rst     iat =   240,   242,   244,   254,
   r1 = -158.0, r2 = -157.0, r3 = -97.0, r4 = -96.0,
 &end
# 19 THR PSI:  (19 THR N)-(19 THR CA)-(19 THR C)-(20 ARG N) 109.0 169.0
 &rst     iat =   242,   244,   254,   256,
   r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
 &end
# 22 LYS PHI:  (21 SER C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -89.0 -29.0
 &rst     iat =   289,   291,   293,   311,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end
# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 SER N) -69.0  -9.0
 &rst     iat =   291,   293,   311,   313,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 23 SER PHI:  (22 LYS C)-(23 SER N)-(23 SER CA)-(23 SER C) -95.0 -35.0
 &rst     iat =   311,   313,   315,   322,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 23 SER PSI:  (23 SER N)-(23 SER CA)-(23 SER C)-(24 ASN N) -67.0  -7.0
 &rst     iat =   313,   315,   322,   324,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 24 ASN PHI:  (23 SER C)-(24 ASN N)-(24 ASN CA)-(24 ASN C) -98.0 -38.0
 &rst     iat =   322,   324,   326,   336,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 24 ASN PSI:  (24 ASN N)-(24 ASN CA)-(24 ASN C)-(25 LEU N) -68.0  -8.0
 &rst     iat =   324,   326,   336,   338,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 25 LEU PHI:  (24 ASN C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -91.0 -31.0
 &rst     iat =   336,   338,   340,   355,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 LYS N) -71.0 -11.0
 &rst     iat =   338,   340,   355,   357,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 26 LYS PHI:  (25 LEU C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -95.0 -35.0
 &rst     iat =   355,   357,   359,   377,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 26 LYS PSI:  (26 LYS N)-(26 LYS CA)-(26 LYS C)-(27 ALA N) -70.0 -10.0
 &rst     iat =   357,   359,   377,   379,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 27 ALA PHI:  (26 LYS C)-(27 ALA N)-(27 ALA CA)-(27 ALA C) -94.0 -34.0
 &rst     iat =   377,   379,   381,   387,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 27 ALA PSI:  (27 ALA N)-(27 ALA CA)-(27 ALA C)-(28 HID N) -70.0 -10.0
 &rst     iat =   379,   381,   387,   389,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 28 HIS PHI:  (27 ALA C)-(28 HID N)-(28 HID CA)-(28 HID C) -94.0 -34.0
 &rst     iat =   387,   389,   391,   404,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 MET N) -72.0 -12.0
 &rst     iat =   389,   391,   404,   406,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 29 MET PHI:  (28 HID C)-(29 MET N)-(29 MET CA)-(29 MET C) -92.0 -32.0
 &rst     iat =   404,   406,   408,   421,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 29 MET PSI:  (29 MET N)-(29 MET CA)-(29 MET C)-(30 ASN N) -70.0 -10.0
 &rst     iat =   406,   408,   421,   423,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 30 ASN PHI:  (29 MET C)-(30 ASN N)-(30 ASN CA)-(30 ASN C) -93.0 -33.0
 &rst     iat =   421,   423,   425,   435,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 30 ASN PSI:  (30 ASN N)-(30 ASN CA)-(30 ASN C)-(31 ARG N) -71.0 -11.0
 &rst     iat =   423,   425,   435,   437,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 31 ARG PHI:  (30 ASN C)-(31 ARG N)-(31 ARG CA)-(31 ARG C) -96.0 -36.0
 &rst     iat =   435,   437,   439,   459,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 31 ARG PSI:  (31 ARG N)-(31 ARG CA)-(31 ARG C)-(32 HID N) -67.0  -7.0
 &rst     iat =   437,   439,   459,   461,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 193, 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, 401, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 473, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   37  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 541, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   37  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 541, 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= 193, 401, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 473, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   37  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 541, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   37  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 541, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  28 HID NE2   32 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 473, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  28 HID NE2   37  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 541, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  32 HID NE2   37  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 541, 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   4.654 -21.388 -13.607
    2    H2   GLY   1           2H       GLY   1   4.569 -22.629 -12.540
    3    H3   GLY   1           3H       GLY   1   5.246 -21.206 -12.091
    4    HA2  GLY   1           1HA      GLY   1   2.405 -21.621 -12.771
    5    HA3  GLY   1           2HA      GLY   1   3.049 -21.404 -11.134
    6    H    SER   2           H        SER   2   1.639 -19.582 -10.894
    7    HA   SER   2           HA       SER   2   2.772 -17.034 -11.885
    8    HB2  SER   2           1HB      SER   2   0.545 -16.187 -12.520
    9    HB3  SER   2           2HB      SER   2   1.063 -17.541 -13.534
   10    HG   SER   2           HG       SER   2  -1.123 -17.753 -12.860
   11    H    SER   3           H        SER   3   1.950 -15.146 -10.723
   12    HA   SER   3           HA       SER   3   2.018 -15.539  -7.903
   13    HB2  SER   3           1HB      SER   3   1.246 -13.047  -9.463
   14    HB3  SER   3           2HB      SER   3   1.729 -13.114  -7.756
   15    HG   SER   3           HG       SER   3   3.483 -12.552  -9.141
   16    H    GLY   4           H        GLY   4   0.517 -15.349  -6.294
   17    HA2  GLY   4           1HA      GLY   4  -2.305 -15.821  -6.878
   18    HA3  GLY   4           2HA      GLY   4  -1.554 -15.687  -5.293
   19    H    SER   5           H        SER   5  -3.970 -14.612  -5.562
   20    HA   SER   5           HA       SER   5  -3.950 -11.800  -6.292
   21    HB2  SER   5           1HB      SER   5  -6.031 -13.392  -4.755
   22    HB3  SER   5           2HB      SER   5  -6.259 -11.806  -5.519
   23    HG   SER   5           HG       SER   5  -7.012 -13.529  -6.846
   24    H    SER   6           H        SER   6  -2.895 -13.355  -3.467
   25    HA   SER   6           HA       SER   6  -2.372 -12.740  -1.359
   26    HB2  SER   6           1HB      SER   6  -1.854 -10.075  -2.702
   27    HB3  SER   6           2HB      SER   6  -1.172 -10.618  -1.157
   28    HG   SER   6           HG       SER   6   0.250 -11.000  -2.928
   29    H    GLY   7           H        GLY   7  -5.267 -12.360  -1.911
   30    HA2  GLY   7           1HA      GLY   7  -7.110 -11.857  -0.626
   31    HA3  GLY   7           2HA      GLY   7  -6.036 -11.225   0.621
   32    H    LYS   8           H        LYS   8  -4.843  -9.144  -1.028
   33    HA   LYS   8           HA       LYS   8  -7.117  -7.307  -1.578
   34    HB2  LYS   8           1HB      LYS   8  -4.706  -6.825   0.198
   35    HB3  LYS   8           2HB      LYS   8  -5.727  -5.511  -0.404
   36    HG2  LYS   8           1HG      LYS   8  -7.698  -6.480   0.713
   37    HG3  LYS   8           2HG      LYS   8  -6.723  -7.846   1.285
   38    HD2  LYS   8           1HD      LYS   8  -5.257  -6.264   2.527
   39    HD3  LYS   8           2HD      LYS   8  -6.322  -4.928   2.020
   40    HE2  LYS   8           1HE      LYS   8  -8.225  -6.017   3.162
   41    HE3  LYS   8           2HE      LYS   8  -7.177  -7.364   3.632
   42    HZ1  LYS   8           3HZ      LYS   8  -5.853  -5.811   4.949
   43    HZ2  LYS   8           1HZ      LYS   8  -7.411  -5.714   5.425
   44    HZ3  LYS   8           2HZ      LYS   8  -6.766  -4.541   4.487
   45    HA   PRO   9           HA       PRO   9  -5.093  -6.440  -5.309
   46    HB2  PRO   9           1HB      PRO   9  -6.120  -4.004  -6.017
   47    HB3  PRO   9           2HB      PRO   9  -7.070  -5.521  -5.978
   48    HG2  PRO   9           1HG      PRO   9  -6.816  -3.452  -3.765
   49    HG3  PRO   9           2HG      PRO   9  -8.331  -4.102  -4.490
   50    HD2  PRO   9           1HD      PRO   9  -7.321  -5.129  -2.206
   51    HD3  PRO   9           2HD      PRO   9  -7.937  -6.234  -3.483
   52    H    PHE  10           H        PHE  10  -4.834  -3.710  -2.959
   53    HA   PHE  10           HA       PHE  10  -2.293  -2.822  -4.278
   54    HB2  PHE  10           1HB      PHE  10  -4.171  -1.183  -2.587
   55    HB3  PHE  10           2HB      PHE  10  -2.795  -0.628  -3.502
   56    HD1  PHE  10           1HD      PHE  10  -2.741  -1.015  -6.051
   57    HD2  PHE  10           2HD      PHE  10  -6.324  -1.200  -3.670
   58    HE1  PHE  10           1HE      PHE  10  -4.103  -0.790  -8.098
   59    HE2  PHE  10           2HE      PHE  10  -7.704  -1.002  -5.731
   60    HZ   PHE  10           HZ       PHE  10  -6.594  -0.780  -7.953
   61    H    LYS  11           H        LYS  11  -0.992  -4.117  -3.396
   62    HA   LYS  11           HA       LYS  11  -0.469  -4.129  -0.467
   63    HB2  LYS  11           1HB      LYS  11  -0.767  -6.245  -1.846
   64    HB3  LYS  11           2HB      LYS  11   0.732  -5.855  -2.670
   65    HG2  LYS  11           1HG      LYS  11   0.390  -6.491   0.300
   66    HG3  LYS  11           2HG      LYS  11   1.015  -7.562  -0.953
   67    HD2  LYS  11           1HD      LYS  11   2.837  -5.772  -1.339
   68    HD3  LYS  11           2HD      LYS  11   2.301  -5.099   0.226
   69    HE2  LYS  11           1HE      LYS  11   2.759  -7.270   1.312
   70    HE3  LYS  11           2HE      LYS  11   3.309  -7.929  -0.239
   71    HZ1  LYS  11           3HZ      LYS  11   4.522  -5.620   1.183
   72    HZ2  LYS  11           1HZ      LYS  11   5.022  -6.168  -0.268
   73    HZ3  LYS  11           2HZ      LYS  11   5.195  -7.117   1.061
   74    H    CYS  12           H        CYS  12   0.944  -2.818   0.279
   75    HA   CYS  12           HA       CYS  12   2.521  -0.881  -0.947
   76    HB2  CYS  12           1HB      CYS  12   1.850  -0.896   1.368
   77    HB3  CYS  12           2HB      CYS  12   2.768  -2.375   1.678
   78    H    SER  13           H        SER  13   4.600  -0.673  -1.657
   79    HA   SER  13           HA       SER  13   5.979  -3.094  -2.549
   80    HB2  SER  13           1HB      SER  13   7.511  -1.499  -3.659
   81    HB3  SER  13           2HB      SER  13   5.808  -1.249  -4.073
   82    HG   SER  13           HG       SER  13   6.911   0.719  -3.597
   83    H    LEU  14           H        LEU  14   6.039  -1.449   0.354
   84    HA   LEU  14           HA       LEU  14   8.945  -2.005   0.897
   85    HB2  LEU  14           1HB      LEU  14   7.109   0.055   2.165
   86    HB3  LEU  14           2HB      LEU  14   8.836  -0.105   2.426
   87    HG   LEU  14           HG       LEU  14   7.551   0.627  -0.242
   88   HD11  LEU  14          1HD1      LEU  14   8.416   2.895   0.217
   89   HD12  LEU  14          2HD1      LEU  14   8.889   2.363   1.853
   90   HD13  LEU  14          3HD1      LEU  14   7.180   2.358   1.359
   91   HD21  LEU  14          3HD2      LEU  14   9.840   1.299  -0.894
   92   HD22  LEU  14          1HD2      LEU  14   9.758  -0.428  -0.534
   93   HD23  LEU  14          2HD2      LEU  14  10.463   0.689   0.660
   94    H    CYS  15           H        CYS  15   5.696  -2.073   2.289
   95    HA   CYS  15           HA       CYS  15   6.647  -3.972   4.396
   96    HB2  CYS  15           1HB      CYS  15   5.578  -2.835   6.107
   97    HB3  CYS  15           2HB      CYS  15   6.389  -1.596   5.183
   98    H    GLU  16           H        GLU  16   4.494  -4.658   5.682
   99    HA   GLU  16           HA       GLU  16   3.097  -6.377   3.738
  100    HB2  GLU  16           1HB      GLU  16   4.275  -7.101   5.947
  101    HB3  GLU  16           2HB      GLU  16   2.821  -6.511   6.753
  102    HG2  GLU  16           1HG      GLU  16   1.462  -8.156   5.471
  103    HG3  GLU  16           2HG      GLU  16   2.887  -8.625   4.546
  104    H    TYR  17           H        TYR  17   2.453  -3.352   4.505
  105    HA   TYR  17           HA       TYR  17  -0.362  -3.415   5.154
  106    HB2  TYR  17           1HB      TYR  17   1.069  -1.472   5.418
  107    HB3  TYR  17           2HB      TYR  17   1.391  -1.405   3.705
  108    HD1  TYR  17           1HD      TYR  17  -0.449  -0.713   2.108
  109    HD2  TYR  17           2HD      TYR  17  -0.980  -0.570   6.381
  110    HE1  TYR  17           1HE      TYR  17  -2.402   0.844   1.814
  111    HE2  TYR  17           2HE      TYR  17  -2.900   0.992   6.085
  112    HH   TYR  17           HH       TYR  17  -4.213   2.132   4.598
  113    H    ALA  18           H        ALA  18  -2.143  -3.627   3.939
  114    HA   ALA  18           HA       ALA  18  -2.013  -3.157   1.096
  115    HB1  ALA  18           1HB      ALA  18  -2.972  -5.277   0.373
  116    HB2  ALA  18           2HB      ALA  18  -1.448  -5.579   1.249
  117    HB3  ALA  18           3HB      ALA  18  -2.993  -5.872   2.060
  118    H    THR  19           H        THR  19  -3.979  -2.737   0.111
  119    HA   THR  19           HA       THR  19  -6.444  -2.577   1.778
  120    HB   THR  19           HB       THR  19  -5.289  -0.476   2.160
  121    HG1  THR  19           1HG      THR  19  -6.967   0.704   1.784
  122   HG21  THR  19          3HG2      THR  19  -3.853  -0.362   0.194
  123   HG22  THR  19          1HG2      THR  19  -4.823   1.085   0.422
  124   HG23  THR  19          2HG2      THR  19  -5.274  -0.083  -0.842
  125    H    ARG  20           H        ARG  20  -8.310  -1.871   0.531
  126    HA   ARG  20           HA       ARG  20  -8.489  -3.259  -2.087
  127    HB2  ARG  20           1HB      ARG  20 -10.544  -2.330  -0.065
  128    HB3  ARG  20           2HB      ARG  20 -11.005  -2.923  -1.654
  129    HG2  ARG  20           1HG      ARG  20  -9.283  -4.596   0.217
  130    HG3  ARG  20           2HG      ARG  20 -11.043  -4.590   0.304
  131    HD2  ARG  20           1HD      ARG  20 -11.232  -5.386  -2.007
  132    HD3  ARG  20           2HD      ARG  20  -9.502  -5.270  -2.235
  133    HE   ARG  20           HE       ARG  20  -9.185  -7.281  -1.116
  134   HH11  ARG  20          2HH1      ARG  20 -12.516  -6.353  -0.518
  135   HH12  ARG  20          1HH1      ARG  20 -12.896  -7.910   0.165
  136   HH21  ARG  20          2HH2      ARG  20  -9.721  -9.190  -0.271
  137   HH22  ARG  20          1HH2      ARG  20 -11.346  -9.480   0.307
  138    H    SER  21           H        SER  21  -7.856  -0.107  -1.187
  139    HA   SER  21           HA       SER  21  -8.790   0.832  -3.869
  140    HB2  SER  21           1HB      SER  21 -10.369   1.653  -2.149
  141    HB3  SER  21           2HB      SER  21  -9.020   2.469  -1.327
  142    HG   SER  21           HG       SER  21 -10.079   3.886  -2.785
  143    H    LYS  22           H        LYS  22  -7.390   1.957  -5.033
  144    HA   LYS  22           HA       LYS  22  -4.630   2.005  -4.302
  145    HB2  LYS  22           1HB      LYS  22  -4.234   2.948  -6.463
  146    HB3  LYS  22           2HB      LYS  22  -5.482   1.717  -6.592
  147    HG2  LYS  22           1HG      LYS  22  -7.211   3.616  -6.523
  148    HG3  LYS  22           2HG      LYS  22  -5.855   4.733  -6.715
  149    HD2  LYS  22           1HD      LYS  22  -6.684   2.517  -8.640
  150    HD3  LYS  22           2HD      LYS  22  -6.939   4.254  -8.859
  151    HE2  LYS  22           1HE      LYS  22  -4.451   4.589  -8.848
  152    HE3  LYS  22           2HE      LYS  22  -4.240   2.835  -8.725
  153    HZ1  LYS  22           3HZ      LYS  22  -5.392   2.613 -10.863
  154    HZ2  LYS  22           1HZ      LYS  22  -4.088   3.580 -11.029
  155    HZ3  LYS  22           2HZ      LYS  22  -5.583   4.232 -10.979
  156    H    SER  23           H        SER  23  -7.072   4.543  -4.049
  157    HA   SER  23           HA       SER  23  -5.207   6.712  -3.564
  158    HB2  SER  23           1HB      SER  23  -7.201   7.921  -2.762
  159    HB3  SER  23           2HB      SER  23  -7.456   7.165  -4.346
  160    HG   SER  23           HG       SER  23  -9.223   6.805  -2.921
  161    H    ASN  24           H        ASN  24  -6.727   4.262  -1.520
  162    HA   ASN  24           HA       ASN  24  -5.911   5.461   0.994
  163    HB2  ASN  24           1HB      ASN  24  -7.872   3.899   0.610
  164    HB3  ASN  24           2HB      ASN  24  -6.707   2.587   0.390
  165   HD21  ASN  24          1HD2      ASN  24  -7.297   5.251   2.802
  166   HD22  ASN  24          2HD2      ASN  24  -7.116   4.168   4.171
  167    H    LEU  25           H        LEU  25  -4.560   2.749  -1.021
  168    HA   LEU  25           HA       LEU  25  -2.194   2.481   0.492
  169    HB2  LEU  25           1HB      LEU  25  -2.772   0.870  -1.285
  170    HB3  LEU  25           2HB      LEU  25  -2.538   2.105  -2.516
  171    HG   LEU  25           HG       LEU  25  -0.187   2.253  -2.014
  172   HD11  LEU  25          1HD1      LEU  25  -0.146   1.840   0.422
  173   HD12  LEU  25          2HD1      LEU  25   0.960   0.755  -0.404
  174   HD13  LEU  25          3HD1      LEU  25  -0.620   0.147   0.127
  175   HD21  LEU  25          3HD2      LEU  25  -0.835   0.480  -3.579
  176   HD22  LEU  25          1HD2      LEU  25  -0.888  -0.670  -2.211
  177   HD23  LEU  25          2HD2      LEU  25   0.640   0.083  -2.680
  178    H    LYS  26           H        LYS  26  -2.781   4.681  -2.251
  179    HA   LYS  26           HA       LYS  26  -0.265   5.960  -2.345
  180    HB2  LYS  26           1HB      LYS  26  -2.044   6.286  -3.972
  181    HB3  LYS  26           2HB      LYS  26  -3.027   7.159  -2.808
  182    HG2  LYS  26           1HG      LYS  26  -0.250   8.162  -3.483
  183    HG3  LYS  26           2HG      LYS  26  -1.535   8.382  -4.653
  184    HD2  LYS  26           1HD      LYS  26  -1.584   9.464  -1.802
  185    HD3  LYS  26           2HD      LYS  26  -1.173  10.383  -3.233
  186    HE2  LYS  26           1HE      LYS  26  -3.886   9.065  -2.740
  187    HE3  LYS  26           2HE      LYS  26  -3.497  10.743  -2.374
  188    HZ1  LYS  26           3HZ      LYS  26  -3.423   9.563  -5.102
  189    HZ2  LYS  26           1HZ      LYS  26  -3.034  11.108  -4.736
  190    HZ3  LYS  26           2HZ      LYS  26  -4.561  10.585  -4.531
  191    H    ALA  27           H        ALA  27  -2.857   6.544  -0.003
  192    HA   ALA  27           HA       ALA  27  -1.569   8.846   1.236
  193    HB1  ALA  27           1HB      ALA  27  -4.015   8.447   1.318
  194    HB2  ALA  27           2HB      ALA  27  -3.741   6.978   2.284
  195    HB3  ALA  27           3HB      ALA  27  -3.308   8.567   2.943
  196    H    HIS  28           H        HIS  28  -1.573   5.331   1.841
  197    HA   HIS  28           HA       HIS  28   0.077   5.373   4.210
  198    HB2  HIS  28           1HB      HIS  28  -1.305   3.515   3.816
  199    HB3  HIS  28           2HB      HIS  28  -0.692   3.263   2.192
  200    HD1  HIS  28           1HD      HIS  28   0.285   2.632   5.821
  201    HD2  HIS  28           2HD      HIS  28   1.665   2.040   1.890
  202    HE1  HIS  28           1HE      HIS  28   2.251   1.047   6.017
  203    H    MET  29           H        MET  29   0.892   5.029   0.706
  204    HA   MET  29           HA       MET  29   3.713   4.744   1.108
  205    HB2  MET  29           1HB      MET  29   2.216   5.851  -1.303
  206    HB3  MET  29           2HB      MET  29   3.901   5.324  -1.281
  207    HG2  MET  29           1HG      MET  29   1.427   3.618  -0.917
  208    HG3  MET  29           2HG      MET  29   2.568   3.551  -2.226
  209    HE1  MET  29           3HE      MET  29   5.626   1.759  -0.649
  210    HE2  MET  29           1HE      MET  29   4.924   2.497  -2.105
  211    HE3  MET  29           2HE      MET  29   5.420   3.527  -0.735
  212    H    ASN  30           H        ASN  30   1.708   7.616   1.071
  213    HA   ASN  30           HA       ASN  30   3.899   9.521   0.931
  214    HB2  ASN  30           1HB      ASN  30   0.970   9.670   1.627
  215    HB3  ASN  30           2HB      ASN  30   2.030  10.967   2.161
  216   HD21  ASN  30          1HD2      ASN  30   0.967   9.216  -0.788
  217   HD22  ASN  30          2HD2      ASN  30   1.366  10.563  -1.855
  218    H    ARG  31           H        ARG  31   2.546   7.630   3.623
  219    HA   ARG  31           HA       ARG  31   3.959   9.072   5.721
  220    HB2  ARG  31           1HB      ARG  31   3.014   6.180   5.727
  221    HB3  ARG  31           2HB      ARG  31   3.561   7.116   7.111
  222    HG2  ARG  31           1HG      ARG  31   1.676   8.735   6.764
  223    HG3  ARG  31           2HG      ARG  31   1.107   7.747   5.414
  224    HD2  ARG  31           1HD      ARG  31  -0.214   7.185   7.314
  225    HD3  ARG  31           2HD      ARG  31   0.847   5.808   6.964
  226    HE   ARG  31           HE       ARG  31   2.106   7.521   8.890
  227   HH11  ARG  31          2HH1      ARG  31  -0.600   5.299   8.780
  228   HH12  ARG  31          1HH1      ARG  31  -0.478   4.927  10.479
  229   HH21  ARG  31          2HH2      ARG  31   2.209   6.997  11.046
  230   HH22  ARG  31          1HH2      ARG  31   1.067   5.872  11.722
  231    H    HIS  32           H        HIS  32   4.762   6.146   3.809
  232    HA   HIS  32           HA       HIS  32   7.402   5.791   4.867
  233    HB2  HIS  32           1HB      HIS  32   6.191   5.107   2.158
  234    HB3  HIS  32           2HB      HIS  32   7.827   4.682   2.619
  235    HD1  HIS  32           1HD      HIS  32   7.879   3.135   5.079
  236    HD2  HIS  32           2HD      HIS  32   4.619   3.104   2.435
  237    HE1  HIS  32           1HE      HIS  32   6.731   0.902   5.438
  238    H    SER  33           H        SER  33   6.206   7.866   2.209
  239    HA   SER  33           HA       SER  33   8.755   8.721   1.261
  240    HB2  SER  33           1HB      SER  33   6.537   8.876   0.076
  241    HB3  SER  33           2HB      SER  33   6.137  10.256   1.113
  242    HG   SER  33           HG       SER  33   7.081  10.871  -0.916
  243    H    THR  34           H        THR  34   6.555  10.254   3.668
  244    HA   THR  34           HA       THR  34   8.370  12.512   4.034
  245    HB   THR  34           HB       THR  34   5.878  12.646   4.100
  246    HG1  THR  34           1HG      THR  34   5.938  14.226   5.678
  247   HG21  THR  34          3HG2      THR  34   4.682  12.209   6.142
  248   HG22  THR  34          1HG2      THR  34   6.160  11.678   6.978
  249   HG23  THR  34          2HG2      THR  34   5.482  10.708   5.657
  250    H    GLU  35           H        GLU  35   7.991   9.430   5.701
  251    HA   GLU  35           HA       GLU  35   9.389  10.231   8.103
  252    HB2  GLU  35           1HB      GLU  35   7.832   8.340   8.013
  253    HB3  GLU  35           2HB      GLU  35   8.925   7.466   6.926
  254    HG2  GLU  35           1HG      GLU  35  10.664   7.440   8.694
  255    HG3  GLU  35           2HG      GLU  35   9.624   8.401   9.747
  256    H    LYS  36           H        LYS  36  11.462  10.628   8.375
  257    HA   LYS  36           HA       LYS  36  13.611   9.115   7.166
  258    HB2  LYS  36           1HB      LYS  36  14.759  11.256   6.291
  259    HB3  LYS  36           2HB      LYS  36  13.551  10.460   5.312
  260    HG2  LYS  36           1HG      LYS  36  13.319  12.835   5.122
  261    HG3  LYS  36           2HG      LYS  36  11.880  12.144   5.845
  262    HD2  LYS  36           1HD      LYS  36  12.704  12.930   8.111
  263    HD3  LYS  36           2HD      LYS  36  14.113  13.624   7.300
  264    HE2  LYS  36           1HE      LYS  36  12.655  15.448   7.536
  265    HE3  LYS  36           2HE      LYS  36  12.448  14.950   5.856
  266    HZ1  LYS  36           3HZ      LYS  36  10.296  15.309   6.862
  267    HZ2  LYS  36           1HZ      LYS  36  10.624  14.326   8.121
  268    HZ3  LYS  36           2HZ      LYS  36  10.425  13.693   6.632
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  -0.026 -15.426  -6.583
    2    H2   GLY   1           2H       GLY   1  -0.621 -15.940  -8.020
    3    H3   GLY   1           3H       GLY   1   0.759 -16.596  -7.424
    4    HA2  GLY   1           1HA      GLY   1  -1.079 -18.125  -7.130
    5    HA3  GLY   1           2HA      GLY   1  -0.409 -17.586  -5.579
    6    H    SER   2           H        SER   2  -3.132 -18.575  -6.263
    7    HA   SER   2           HA       SER   2  -5.035 -16.523  -6.496
    8    HB2  SER   2           1HB      SER   2  -5.395 -19.207  -5.117
    9    HB3  SER   2           2HB      SER   2  -6.664 -18.212  -5.853
   10    HG   SER   2           HG       SER   2  -5.718 -18.566  -7.882
   11    H    SER   3           H        SER   3  -3.299 -17.413  -3.593
   12    HA   SER   3           HA       SER   3  -5.116 -16.352  -1.628
   13    HB2  SER   3           1HB      SER   3  -3.036 -16.208  -0.237
   14    HB3  SER   3           2HB      SER   3  -3.326 -17.799  -0.958
   15    HG   SER   3           HG       SER   3  -1.136 -17.111  -1.195
   16    H    GLY   4           H        GLY   4  -2.823 -14.812  -3.847
   17    HA2  GLY   4           1HA      GLY   4  -2.761 -12.209  -2.566
   18    HA3  GLY   4           2HA      GLY   4  -2.272 -12.604  -4.219
   19    H    SER   5           H        SER   5  -4.614 -13.545  -5.372
   20    HA   SER   5           HA       SER   5  -6.128 -11.104  -5.780
   21    HB2  SER   5           1HB      SER   5  -7.435 -12.481  -7.376
   22    HB3  SER   5           2HB      SER   5  -5.686 -12.506  -7.659
   23    HG   SER   5           HG       SER   5  -6.671 -14.599  -7.774
   24    H    SER   6           H        SER   6  -6.706 -14.037  -3.877
   25    HA   SER   6           HA       SER   6  -9.432 -13.325  -3.120
   26    HB2  SER   6           1HB      SER   6  -7.430 -15.137  -1.715
   27    HB3  SER   6           2HB      SER   6  -9.165 -15.029  -1.380
   28    HG   SER   6           HG       SER   6  -7.860 -15.974  -3.710
   29    H    GLY   7           H        GLY   7  -6.339 -12.156  -2.139
   30    HA2  GLY   7           1HA      GLY   7  -7.163 -11.114   0.496
   31    HA3  GLY   7           2HA      GLY   7  -5.580 -11.009  -0.263
   32    H    LYS   8           H        LYS   8  -5.071  -8.933  -0.425
   33    HA   LYS   8           HA       LYS   8  -7.118  -6.929  -1.247
   34    HB2  LYS   8           1HB      LYS   8  -4.699  -6.735   0.528
   35    HB3  LYS   8           2HB      LYS   8  -5.238  -5.322  -0.364
   36    HG2  LYS   8           1HG      LYS   8  -6.196  -5.185   1.796
   37    HG3  LYS   8           2HG      LYS   8  -7.476  -5.469   0.633
   38    HD2  LYS   8           1HD      LYS   8  -7.896  -6.690   2.673
   39    HD3  LYS   8           2HD      LYS   8  -7.616  -7.843   1.368
   40    HE2  LYS   8           1HE      LYS   8  -5.293  -8.196   2.154
   41    HE3  LYS   8           2HE      LYS   8  -5.499  -6.938   3.381
   42    HZ1  LYS   8           3HZ      LYS   8  -7.035  -9.487   3.306
   43    HZ2  LYS   8           1HZ      LYS   8  -7.195  -8.320   4.439
   44    HZ3  LYS   8           2HZ      LYS   8  -5.802  -9.157   4.324
   45    HA   PRO   9           HA       PRO   9  -5.048  -6.585  -5.128
   46    HB2  PRO   9           1HB      PRO   9  -6.041  -4.221  -6.073
   47    HB3  PRO   9           2HB      PRO   9  -7.019  -5.713  -5.910
   48    HG2  PRO   9           1HG      PRO   9  -6.757  -3.457  -3.884
   49    HG3  PRO   9           2HG      PRO   9  -8.277  -4.139  -4.578
   50    HD2  PRO   9           1HD      PRO   9  -7.260  -4.936  -2.206
   51    HD3  PRO   9           2HD      PRO   9  -7.960  -6.152  -3.337
   52    H    PHE  10           H        PHE  10  -4.860  -3.696  -2.979
   53    HA   PHE  10           HA       PHE  10  -2.309  -2.857  -4.306
   54    HB2  PHE  10           1HB      PHE  10  -4.199  -1.195  -2.646
   55    HB3  PHE  10           2HB      PHE  10  -2.822  -0.645  -3.567
   56    HD1  PHE  10           1HD      PHE  10  -2.743  -1.179  -6.110
   57    HD2  PHE  10           2HD      PHE  10  -6.340  -1.187  -3.742
   58    HE1  PHE  10           1HE      PHE  10  -4.090  -1.087  -8.172
   59    HE2  PHE  10           2HE      PHE  10  -7.705  -1.137  -5.816
   60    HZ   PHE  10           HZ       PHE  10  -6.584  -1.058  -8.044
   61    H    LYS  11           H        LYS  11  -0.998  -4.121  -3.415
   62    HA   LYS  11           HA       LYS  11  -0.447  -4.089  -0.493
   63    HB2  LYS  11           1HB      LYS  11  -0.747  -6.219  -1.854
   64    HB3  LYS  11           2HB      LYS  11   0.747  -5.831  -2.688
   65    HG2  LYS  11           1HG      LYS  11   0.419  -6.444   0.287
   66    HG3  LYS  11           2HG      LYS  11   1.044  -7.521  -0.960
   67    HD2  LYS  11           1HD      LYS  11   2.857  -5.729  -1.365
   68    HD3  LYS  11           2HD      LYS  11   2.324  -5.042   0.195
   69    HE2  LYS  11           1HE      LYS  11   2.795  -7.201   1.299
   70    HE3  LYS  11           2HE      LYS  11   3.341  -7.872  -0.248
   71    HZ1  LYS  11           3HZ      LYS  11   4.551  -5.546   1.148
   72    HZ2  LYS  11           1HZ      LYS  11   5.048  -6.105  -0.300
   73    HZ3  LYS  11           2HZ      LYS  11   5.230  -7.040   1.037
   74    H    CYS  12           H        CYS  12   0.962  -2.761   0.227
   75    HA   CYS  12           HA       CYS  12   2.527  -0.836  -1.035
   76    HB2  CYS  12           1HB      CYS  12   1.867  -0.801   1.276
   77    HB3  CYS  12           2HB      CYS  12   2.768  -2.282   1.616
   78    H    SER  13           H        SER  13   4.606  -0.628  -1.743
   79    HA   SER  13           HA       SER  13   5.985  -3.052  -2.621
   80    HB2  SER  13           1HB      SER  13   7.514  -1.463  -3.741
   81    HB3  SER  13           2HB      SER  13   5.811  -1.212  -4.152
   82    HG   SER  13           HG       SER  13   6.916   0.757  -3.687
   83    H    LEU  14           H        LEU  14   6.059  -1.374   0.272
   84    HA   LEU  14           HA       LEU  14   8.960  -1.953   0.809
   85    HB2  LEU  14           1HB      LEU  14   7.155   0.130   2.083
   86    HB3  LEU  14           2HB      LEU  14   8.885  -0.050   2.321
   87    HG   LEU  14           HG       LEU  14   7.573   0.695  -0.329
   88   HD11  LEU  14          1HD1      LEU  14   8.463   2.954   0.113
   89   HD12  LEU  14          2HD1      LEU  14   8.963   2.420   1.742
   90   HD13  LEU  14          3HD1      LEU  14   7.242   2.433   1.281
   91   HD21  LEU  14          3HD2      LEU  14   9.863   1.337  -1.014
   92   HD22  LEU  14          1HD2      LEU  14   9.762  -0.388  -0.652
   93   HD23  LEU  14          2HD2      LEU  14  10.499   0.719   0.530
   94    H    CYS  15           H        CYS  15   5.718  -1.979   2.225
   95    HA   CYS  15           HA       CYS  15   6.674  -3.860   4.346
   96    HB2  CYS  15           1HB      CYS  15   5.589  -2.714   6.043
   97    HB3  CYS  15           2HB      CYS  15   6.408  -1.486   5.112
   98    H    GLU  16           H        GLU  16   4.533  -4.552   5.640
   99    HA   GLU  16           HA       GLU  16   3.134  -6.286   3.712
  100    HB2  GLU  16           1HB      GLU  16   4.321  -6.994   5.922
  101    HB3  GLU  16           2HB      GLU  16   2.867  -6.406   6.728
  102    HG2  GLU  16           1HG      GLU  16   1.512  -8.063   5.458
  103    HG3  GLU  16           2HG      GLU  16   2.937  -8.531   4.532
  104    H    TYR  17           H        TYR  17   2.480  -3.260   4.465
  105    HA   TYR  17           HA       TYR  17  -0.334  -3.334   5.111
  106    HB2  TYR  17           1HB      TYR  17   1.077  -1.375   5.362
  107    HB3  TYR  17           2HB      TYR  17   1.410  -1.323   3.650
  108    HD1  TYR  17           1HD      TYR  17  -0.374  -0.632   2.037
  109    HD2  TYR  17           2HD      TYR  17  -1.053  -0.548   6.288
  110    HE1  TYR  17           1HE      TYR  17  -2.373   0.843   1.687
  111    HE2  TYR  17           2HE      TYR  17  -3.030   0.929   5.940
  112    HH   TYR  17           HH       TYR  17  -4.330   2.035   4.421
  113    H    ALA  18           H        ALA  18  -2.116  -3.536   3.893
  114    HA   ALA  18           HA       ALA  18  -1.984  -3.069   1.056
  115    HB1  ALA  18           1HB      ALA  18  -1.415  -5.512   1.250
  116    HB2  ALA  18           2HB      ALA  18  -3.004  -5.782   1.983
  117    HB3  ALA  18           3HB      ALA  18  -2.886  -5.181   0.299
  118    H    THR  19           H        THR  19  -3.998  -2.724   0.051
  119    HA   THR  19           HA       THR  19  -6.438  -2.590   1.749
  120    HB   THR  19           HB       THR  19  -5.298  -0.447   2.096
  121    HG1  THR  19           1HG      THR  19  -7.549  -0.439   1.947
  122   HG21  THR  19          3HG2      THR  19  -5.390  -0.073  -0.906
  123   HG22  THR  19          1HG2      THR  19  -3.933  -0.301   0.091
  124   HG23  THR  19          2HG2      THR  19  -4.938   1.121   0.329
  125    H    ARG  20           H        ARG  20  -8.382  -2.103   0.561
  126    HA   ARG  20           HA       ARG  20  -8.541  -3.335  -2.112
  127    HB2  ARG  20           1HB      ARG  20 -10.670  -2.193  -0.285
  128    HB3  ARG  20           2HB      ARG  20 -10.985  -3.010  -1.805
  129    HG2  ARG  20           1HG      ARG  20  -9.715  -4.280   0.657
  130    HG3  ARG  20           2HG      ARG  20 -11.388  -4.448   0.160
  131    HD2  ARG  20           1HD      ARG  20  -8.979  -5.508  -1.371
  132    HD3  ARG  20           2HD      ARG  20 -10.081  -6.445  -0.377
  133    HE   ARG  20           HE       ARG  20 -11.544  -5.027  -2.403
  134   HH11  ARG  20          2HH1      ARG  20  -9.567  -7.966  -2.062
  135   HH12  ARG  20          1HH1      ARG  20 -10.290  -8.657  -3.474
  136   HH21  ARG  20          2HH2      ARG  20 -12.389  -6.045  -4.164
  137   HH22  ARG  20          1HH2      ARG  20 -11.836  -7.631  -4.605
  138    H    SER  21           H        SER  21  -7.981  -0.157  -1.043
  139    HA   SER  21           HA       SER  21  -8.976   0.959  -3.653
  140    HB2  SER  21           1HB      SER  21  -8.942   2.279  -0.921
  141    HB3  SER  21           2HB      SER  21  -9.400   3.062  -2.447
  142    HG   SER  21           HG       SER  21 -11.227   2.269  -1.289
  143    H    LYS  22           H        LYS  22  -7.437   1.710  -4.949
  144    HA   LYS  22           HA       LYS  22  -4.703   1.880  -4.235
  145    HB2  LYS  22           1HB      LYS  22  -4.318   2.696  -6.450
  146    HB3  LYS  22           2HB      LYS  22  -5.565   1.464  -6.500
  147    HG2  LYS  22           1HG      LYS  22  -7.302   3.337  -6.554
  148    HG3  LYS  22           2HG      LYS  22  -5.961   4.468  -6.771
  149    HD2  LYS  22           1HD      LYS  22  -6.690   2.153  -8.619
  150    HD3  LYS  22           2HD      LYS  22  -7.030   3.867  -8.904
  151    HE2  LYS  22           1HE      LYS  22  -4.568   4.334  -8.885
  152    HE3  LYS  22           2HE      LYS  22  -4.259   2.603  -8.687
  153    HZ1  LYS  22           3HZ      LYS  22  -5.650   3.827 -11.010
  154    HZ2  LYS  22           1HZ      LYS  22  -5.371   2.227 -10.825
  155    HZ3  LYS  22           2HZ      LYS  22  -4.122   3.259 -11.018
  156    H    SER  23           H        SER  23  -7.131   4.418  -4.159
  157    HA   SER  23           HA       SER  23  -5.391   6.671  -3.748
  158    HB2  SER  23           1HB      SER  23  -7.493   7.702  -2.829
  159    HB3  SER  23           2HB      SER  23  -7.662   7.003  -4.450
  160    HG   SER  23           HG       SER  23  -9.394   6.407  -3.040
  161    H    ASN  24           H        ASN  24  -6.699   4.205  -1.563
  162    HA   ASN  24           HA       ASN  24  -5.844   5.573   0.873
  163    HB2  ASN  24           1HB      ASN  24  -7.823   4.009   0.672
  164    HB3  ASN  24           2HB      ASN  24  -6.688   2.679   0.456
  165   HD21  ASN  24          1HD2      ASN  24  -7.220   1.585   2.311
  166   HD22  ASN  24          2HD2      ASN  24  -6.995   2.247   3.931
  167    H    LEU  25           H        LEU  25  -4.578   2.773  -1.081
  168    HA   LEU  25           HA       LEU  25  -2.190   2.504   0.393
  169    HB2  LEU  25           1HB      LEU  25  -2.797   0.870  -1.353
  170    HB3  LEU  25           2HB      LEU  25  -2.572   2.086  -2.604
  171    HG   LEU  25           HG       LEU  25  -0.222   2.248  -2.107
  172   HD11  LEU  25          1HD1      LEU  25   0.942   0.753  -0.511
  173   HD12  LEU  25          2HD1      LEU  25  -0.634   0.138   0.030
  174   HD13  LEU  25          3HD1      LEU  25  -0.162   1.834   0.321
  175   HD21  LEU  25          3HD2      LEU  25   0.620   0.096  -2.793
  176   HD22  LEU  25          1HD2      LEU  25  -0.871   0.472  -3.677
  177   HD23  LEU  25          2HD2      LEU  25  -0.890  -0.680  -2.310
  178    H    LYS  26           H        LYS  26  -2.787   4.656  -2.387
  179    HA   LYS  26           HA       LYS  26  -0.290   5.967  -2.527
  180    HB2  LYS  26           1HB      LYS  26  -2.081   6.250  -4.130
  181    HB3  LYS  26           2HB      LYS  26  -3.101   7.061  -2.960
  182    HG2  LYS  26           1HG      LYS  26  -0.389   8.199  -3.721
  183    HG3  LYS  26           2HG      LYS  26  -1.767   8.397  -4.792
  184    HD2  LYS  26           1HD      LYS  26  -1.597   9.481  -1.948
  185    HD3  LYS  26           2HD      LYS  26  -1.426  10.383  -3.449
  186    HE2  LYS  26           1HE      LYS  26  -3.765   9.718  -4.081
  187    HE3  LYS  26           2HE      LYS  26  -3.941   8.934  -2.504
  188    HZ1  LYS  26           3HZ      LYS  26  -3.548  11.105  -1.458
  189    HZ2  LYS  26           1HZ      LYS  26  -4.826  11.192  -2.471
  190    HZ3  LYS  26           2HZ      LYS  26  -3.394  11.826  -2.919
  191    H    ALA  27           H        ALA  27  -2.865   6.535  -0.161
  192    HA   ALA  27           HA       ALA  27  -1.564   8.848   1.056
  193    HB1  ALA  27           1HB      ALA  27  -4.022   8.462   1.127
  194    HB2  ALA  27           2HB      ALA  27  -3.754   7.013   2.124
  195    HB3  ALA  27           3HB      ALA  27  -3.311   8.615   2.748
  196    H    HIS  28           H        HIS  28  -1.655   5.333   1.721
  197    HA   HIS  28           HA       HIS  28  -0.038   5.368   4.099
  198    HB2  HIS  28           1HB      HIS  28  -1.374   3.483   3.672
  199    HB3  HIS  28           2HB      HIS  28  -0.736   3.259   2.055
  200    HD1  HIS  28           1HD      HIS  28   0.206   2.587   5.684
  201    HD2  HIS  28           2HD      HIS  28   1.695   2.149   1.774
  202    HE1  HIS  28           1HE      HIS  28   2.270   1.135   5.899
  203    H    MET  29           H        MET  29   0.869   5.075   0.615
  204    HA   MET  29           HA       MET  29   3.645   4.658   1.085
  205    HB2  MET  29           1HB      MET  29   2.286   5.949  -1.314
  206    HB3  MET  29           2HB      MET  29   3.955   5.378  -1.263
  207    HG2  MET  29           1HG      MET  29   1.431   3.718  -1.085
  208    HG3  MET  29           2HG      MET  29   2.628   3.688  -2.341
  209    HE1  MET  29           3HE      MET  29   5.405   3.515  -0.745
  210    HE2  MET  29           1HE      MET  29   5.573   1.742  -0.729
  211    HE3  MET  29           2HE      MET  29   4.952   2.558  -2.181
  212    H    ASN  30           H        ASN  30   1.808   7.648   1.137
  213    HA   ASN  30           HA       ASN  30   4.146   9.390   1.257
  214    HB2  ASN  30           1HB      ASN  30   1.166   9.749   1.700
  215    HB3  ASN  30           2HB      ASN  30   2.316  11.003   2.163
  216   HD21  ASN  30          1HD2      ASN  30   1.094   9.173  -0.688
  217   HD22  ASN  30          2HD2      ASN  30   1.677  10.385  -1.818
  218    H    ARG  31           H        ARG  31   2.806   7.236   3.596
  219    HA   ARG  31           HA       ARG  31   3.831   8.715   5.945
  220    HB2  ARG  31           1HB      ARG  31   2.981   5.801   5.776
  221    HB3  ARG  31           2HB      ARG  31   3.206   6.769   7.228
  222    HG2  ARG  31           1HG      ARG  31   1.311   8.233   6.596
  223    HG3  ARG  31           2HG      ARG  31   1.071   7.286   5.118
  224    HD2  ARG  31           1HD      ARG  31   0.713   5.246   6.530
  225    HD3  ARG  31           2HD      ARG  31   0.776   6.286   7.969
  226    HE   ARG  31           HE       ARG  31  -1.124   7.391   6.168
  227   HH11  ARG  31          2HH2      ARG  31  -0.869   4.567   8.226
  228   HH12  ARG  31          1HH2      ARG  31  -2.597   4.382   8.339
  229   HH21  ARG  31          2HH1      ARG  31  -3.319   7.110   6.375
  230   HH22  ARG  31          1HH1      ARG  31  -3.941   5.791   7.321
  231    H    HIS  32           H        HIS  32   5.018   6.308   3.685
  232    HA   HIS  32           HA       HIS  32   7.434   5.691   5.196
  233    HB2  HIS  32           1HB      HIS  32   6.589   5.174   2.321
  234    HB3  HIS  32           2HB      HIS  32   8.147   4.694   2.968
  235    HD1  HIS  32           1HD      HIS  32   7.930   2.993   5.264
  236    HD2  HIS  32           2HD      HIS  32   4.843   3.246   2.430
  237    HE1  HIS  32           1HE      HIS  32   6.629   0.830   5.472
  238    H    SER  33           H        SER  33   6.502   8.437   3.406
  239    HA   SER  33           HA       SER  33   9.047   9.247   2.324
  240    HB2  SER  33           1HB      SER  33   6.512  10.838   2.856
  241    HB3  SER  33           2HB      SER  33   7.867  11.356   1.856
  242    HG   SER  33           HG       SER  33   7.452   9.621   0.445
  243    H    THR  34           H        THR  34   9.878   8.652   4.703
  244    HA   THR  34           HA       THR  34  10.612  11.164   6.075
  245    HB   THR  34           HB       THR  34   8.455  10.481   7.066
  246    HG1  THR  34           1HG      THR  34   9.149  10.624   9.171
  247   HG21  THR  34          3HG2      THR  34   9.912   7.991   8.042
  248   HG22  THR  34          1HG2      THR  34   8.636   8.028   6.805
  249   HG23  THR  34          2HG2      THR  34   8.264   8.504   8.466
  250    H    GLU  35           H        GLU  35  11.996  10.427   8.129
  251    HA   GLU  35           HA       GLU  35  14.325   9.018   7.023
  252    HB2  GLU  35           1HB      GLU  35  13.844  10.343   9.721
  253    HB3  GLU  35           2HB      GLU  35  15.381   9.653   9.185
  254    HG2  GLU  35           1HG      GLU  35  15.413  11.232   7.257
  255    HG3  GLU  35           2HG      GLU  35  13.924  11.973   7.847
  256    H    LYS  36           H        LYS  36  15.472   7.331   8.130
  257    HA   LYS  36           HA       LYS  36  13.871   5.475   9.831
  258    HB2  LYS  36           1HB      LYS  36  15.550   4.650   7.417
  259    HB3  LYS  36           2HB      LYS  36  14.873   3.572   8.628
  260    HG2  LYS  36           1HG      LYS  36  13.270   3.338   7.040
  261    HG3  LYS  36           2HG      LYS  36  12.560   4.665   7.958
  262    HD2  LYS  36           1HD      LYS  36  13.599   6.259   6.257
  263    HD3  LYS  36           2HD      LYS  36  14.133   4.844   5.340
  264    HE2  LYS  36           1HE      LYS  36  11.805   4.116   5.040
  265    HE3  LYS  36           2HE      LYS  36  11.239   5.409   6.112
  266    HZ1  LYS  36           3HZ      LYS  36  12.534   5.825   3.472
  267    HZ2  LYS  36           1HZ      LYS  36  12.128   7.023   4.527
  268    HZ3  LYS  36           2HZ      LYS  36  10.956   6.118   3.851
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1   8.100 -15.827   4.227
    2    H2   GLY   1           2H       GLY   1   7.392 -14.423   3.769
    3    H3   GLY   1           3H       GLY   1   8.958 -14.432   4.251
    4    HA2  GLY   1           1HA      GLY   1   8.860 -14.230   1.864
    5    HA3  GLY   1           2HA      GLY   1   9.602 -15.764   2.353
    6    H    SER   2           H        SER   2   9.060 -16.854   0.538
    7    HA   SER   2           HA       SER   2   8.041 -18.150  -0.915
    8    HB2  SER   2           1HB      SER   2   6.562 -19.772  -0.103
    9    HB3  SER   2           2HB      SER   2   7.628 -19.318   1.232
   10    HG   SER   2           HG       SER   2   5.454 -19.445   1.911
   11    H    SER   3           H        SER   3   5.904 -15.579  -0.013
   12    HA   SER   3           HA       SER   3   4.068 -14.650  -0.923
   13    HB2  SER   3           1HB      SER   3   5.032 -15.790  -3.562
   14    HB3  SER   3           2HB      SER   3   3.836 -14.499  -3.344
   15    HG   SER   3           HG       SER   3   5.953 -13.684  -3.748
   16    H    GLY   4           H        GLY   4   3.810 -17.332   0.190
   17    HA2  GLY   4           1HA      GLY   4   2.025 -18.937  -1.370
   18    HA3  GLY   4           2HA      GLY   4   2.414 -19.135   0.336
   19    H    SER   5           H        SER   5   1.163 -16.045   0.075
   20    HA   SER   5           HA       SER   5  -1.696 -16.793   0.154
   21    HB2  SER   5           1HB      SER   5  -0.815 -17.038   2.488
   22    HB3  SER   5           2HB      SER   5  -0.380 -15.319   2.465
   23    HG   SER   5           HG       SER   5  -2.466 -15.739   3.393
   24    H    SER   6           H        SER   6  -3.116 -15.074  -0.144
   25    HA   SER   6           HA       SER   6  -2.242 -12.329  -0.577
   26    HB2  SER   6           1HB      SER   6  -1.610 -13.530  -2.722
   27    HB3  SER   6           2HB      SER   6  -3.336 -13.864  -2.970
   28    HG   SER   6           HG       SER   6  -2.580 -11.929  -4.024
   29    H    GLY   7           H        GLY   7  -4.223 -11.064  -1.534
   30    HA2  GLY   7           1HA      GLY   7  -6.863 -11.998  -1.369
   31    HA3  GLY   7           2HA      GLY   7  -6.480 -11.408   0.255
   32    H    LYS   8           H        LYS   8  -4.824  -9.177  -0.573
   33    HA   LYS   8           HA       LYS   8  -7.009  -7.312  -1.343
   34    HB2  LYS   8           1HB      LYS   8  -4.466  -6.977   0.253
   35    HB3  LYS   8           2HB      LYS   8  -5.334  -5.592  -0.400
   36    HG2  LYS   8           1HG      LYS   8  -5.964  -5.879   1.871
   37    HG3  LYS   8           2HG      LYS   8  -7.363  -6.211   0.848
   38    HD2  LYS   8           1HD      LYS   8  -7.169  -8.606   1.277
   39    HD3  LYS   8           2HD      LYS   8  -5.576  -8.385   2.018
   40    HE2  LYS   8           1HE      LYS   8  -7.119  -8.745   3.786
   41    HE3  LYS   8           2HE      LYS   8  -6.631  -7.049   3.842
   42    HZ1  LYS   8           3HZ      LYS   8  -8.749  -6.480   2.768
   43    HZ2  LYS   8           1HZ      LYS   8  -9.036  -7.328   4.127
   44    HZ3  LYS   8           2HZ      LYS   8  -9.180  -8.059   2.679
   45    HA   PRO   9           HA       PRO   9  -5.125  -6.554  -5.249
   46    HB2  PRO   9           1HB      PRO   9  -6.202  -4.152  -5.982
   47    HB3  PRO   9           2HB      PRO   9  -7.135  -5.677  -5.888
   48    HG2  PRO   9           1HG      PRO   9  -6.873  -3.534  -3.755
   49    HG3  PRO   9           2HG      PRO   9  -8.384  -4.252  -4.412
   50    HD2  PRO   9           1HD      PRO   9  -7.282  -5.150  -2.110
   51    HD3  PRO   9           2HD      PRO   9  -7.950  -6.315  -3.297
   52    H    PHE  10           H        PHE  10  -4.822  -3.811  -2.911
   53    HA   PHE  10           HA       PHE  10  -2.274  -2.981  -4.257
   54    HB2  PHE  10           1HB      PHE  10  -4.117  -1.289  -2.575
   55    HB3  PHE  10           2HB      PHE  10  -2.741  -0.775  -3.518
   56    HD1  PHE  10           1HD      PHE  10  -2.724  -1.253  -6.062
   57    HD2  PHE  10           2HD      PHE  10  -6.276  -1.225  -3.628
   58    HE1  PHE  10           1HE      PHE  10  -4.107  -1.041  -8.095
   59    HE2  PHE  10           2HE      PHE  10  -7.675  -1.012  -5.672
   60    HZ   PHE  10           HZ       PHE  10  -6.595  -0.914  -7.915
   61    H    LYS  11           H        LYS  11  -1.006  -4.306  -3.350
   62    HA   LYS  11           HA       LYS  11  -0.345  -4.213  -0.459
   63    HB2  LYS  11           1HB      LYS  11  -0.274  -6.398  -1.489
   64    HB3  LYS  11           2HB      LYS  11   0.672  -5.799  -2.841
   65    HG2  LYS  11           1HG      LYS  11   2.080  -7.132  -1.427
   66    HG3  LYS  11           2HG      LYS  11   2.629  -5.477  -1.434
   67    HD2  LYS  11           1HD      LYS  11   2.852  -6.336   0.798
   68    HD3  LYS  11           2HD      LYS  11   1.586  -5.131   0.805
   69    HE2  LYS  11           1HE      LYS  11   0.807  -6.922   2.162
   70    HE3  LYS  11           2HE      LYS  11  -0.123  -7.002   0.664
   71    HZ1  LYS  11           3HZ      LYS  11   1.347  -8.800  -0.079
   72    HZ2  LYS  11           1HZ      LYS  11   0.692  -9.193   1.361
   73    HZ3  LYS  11           2HZ      LYS  11   2.243  -8.699   1.284
   74    H    CYS  12           H        CYS  12   0.972  -2.826   0.299
   75    HA   CYS  12           HA       CYS  12   2.439  -0.769  -0.915
   76    HB2  CYS  12           1HB      CYS  12   1.835  -0.833   1.411
   77    HB3  CYS  12           2HB      CYS  12   2.768  -2.310   1.677
   78    H    SER  13           H        SER  13   4.504  -0.480  -1.599
   79    HA   SER  13           HA       SER  13   5.901  -2.782  -2.717
   80    HB2  SER  13           1HB      SER  13   6.707   0.151  -2.642
   81    HB3  SER  13           2HB      SER  13   7.419  -1.112  -3.663
   82    HG   SER  13           HG       SER  13   5.854   0.102  -4.806
   83    H    LEU  14           H        LEU  14   5.993  -1.386   0.346
   84    HA   LEU  14           HA       LEU  14   8.901  -2.005   0.811
   85    HB2  LEU  14           1HB      LEU  14   7.144   0.090   2.140
   86    HB3  LEU  14           2HB      LEU  14   8.872  -0.116   2.357
   87    HG   LEU  14           HG       LEU  14   7.547   0.678  -0.277
   88   HD11  LEU  14          1HD1      LEU  14   7.234   2.402   1.337
   89   HD12  LEU  14          2HD1      LEU  14   8.463   2.922   0.179
   90   HD13  LEU  14          3HD1      LEU  14   8.953   2.372   1.804
   91   HD21  LEU  14          3HD2      LEU  14   9.825   1.304  -0.978
   92   HD22  LEU  14          1HD2      LEU  14   9.721  -0.423  -0.620
   93   HD23  LEU  14          2HD2      LEU  14  10.476   0.677   0.557
   94    H    CYS  15           H        CYS  15   5.671  -1.998   2.256
   95    HA   CYS  15           HA       CYS  15   6.612  -3.931   4.334
   96    HB2  CYS  15           1HB      CYS  15   5.572  -2.809   6.062
   97    HB3  CYS  15           2HB      CYS  15   6.380  -1.564   5.147
   98    H    GLU  16           H        GLU  16   4.486  -4.627   5.623
   99    HA   GLU  16           HA       GLU  16   3.105  -6.345   3.686
  100    HB2  GLU  16           1HB      GLU  16   4.228  -7.062   5.899
  101    HB3  GLU  16           2HB      GLU  16   2.814  -6.389   6.711
  102    HG2  GLU  16           1HG      GLU  16   1.365  -8.023   5.551
  103    HG3  GLU  16           2HG      GLU  16   2.727  -8.565   4.567
  104    H    TYR  17           H        TYR  17   2.423  -3.299   4.556
  105    HA   TYR  17           HA       TYR  17  -0.379  -3.368   5.170
  106    HB2  TYR  17           1HB      TYR  17   1.069  -1.437   5.433
  107    HB3  TYR  17           2HB      TYR  17   1.376  -1.357   3.720
  108    HD1  TYR  17           1HD      TYR  17  -0.438  -0.655   2.137
  109    HD2  TYR  17           2HD      TYR  17  -1.015  -0.536   6.401
  110    HE1  TYR  17           1HE      TYR  17  -2.418   0.855   1.821
  111    HE2  TYR  17           2HE      TYR  17  -2.971   0.976   6.090
  112    HH   TYR  17           HH       TYR  17  -4.290   2.095   4.598
  113    H    ALA  18           H        ALA  18  -2.174  -3.638   3.966
  114    HA   ALA  18           HA       ALA  18  -2.050  -3.082   1.133
  115    HB1  ALA  18           1HB      ALA  18  -1.447  -5.502   1.272
  116    HB2  ALA  18           2HB      ALA  18  -3.020  -5.824   2.028
  117    HB3  ALA  18           3HB      ALA  18  -2.937  -5.198   0.353
  118    H    THR  19           H        THR  19  -4.027  -2.750   0.103
  119    HA   THR  19           HA       THR  19  -6.492  -2.600   1.759
  120    HB   THR  19           HB       THR  19  -5.315  -0.477   2.144
  121    HG1  THR  19           1HG      THR  19  -7.564  -0.430   1.977
  122   HG21  THR  19          3HG2      THR  19  -3.930  -0.332   0.162
  123   HG22  THR  19          1HG2      THR  19  -4.906   1.106   0.413
  124   HG23  THR  19          2HG2      THR  19  -5.370  -0.058  -0.850
  125    H    ARG  20           H        ARG  20  -8.392  -1.983   0.526
  126    HA   ARG  20           HA       ARG  20  -8.559  -3.246  -2.129
  127    HB2  ARG  20           1HB      ARG  20 -10.566  -2.116  -0.158
  128    HB3  ARG  20           2HB      ARG  20 -11.051  -2.573  -1.779
  129    HG2  ARG  20           1HG      ARG  20  -9.667  -4.497   0.136
  130    HG3  ARG  20           2HG      ARG  20 -11.416  -4.325   0.018
  131    HD2  ARG  20           1HD      ARG  20  -9.610  -5.134  -2.305
  132    HD3  ARG  20           2HD      ARG  20 -10.488  -6.263  -1.296
  133    HE   ARG  20           HE       ARG  20 -11.562  -4.511  -3.400
  134   HH11  ARG  20          2HH1      ARG  20 -12.505  -6.552  -0.703
  135   HH12  ARG  20          1HH1      ARG  20 -14.135  -6.719  -1.294
  136   HH21  ARG  20          2HH2      ARG  20 -13.650  -4.771  -4.082
  137   HH22  ARG  20          1HH2      ARG  20 -14.757  -5.737  -3.153
  138    H    SER  21           H        SER  21  -7.972  -0.060  -1.055
  139    HA   SER  21           HA       SER  21  -8.895   1.051  -3.694
  140    HB2  SER  21           1HB      SER  21  -8.860   2.394  -0.976
  141    HB3  SER  21           2HB      SER  21  -9.285   3.171  -2.513
  142    HG   SER  21           HG       SER  21 -11.140   2.428  -1.370
  143    H    LYS  22           H        LYS  22  -7.350   1.777  -4.979
  144    HA   LYS  22           HA       LYS  22  -4.598   1.920  -4.336
  145    HB2  LYS  22           1HB      LYS  22  -5.686   1.698  -6.611
  146    HB3  LYS  22           2HB      LYS  22  -6.042   3.424  -6.564
  147    HG2  LYS  22           1HG      LYS  22  -3.551   3.849  -6.298
  148    HG3  LYS  22           2HG      LYS  22  -3.282   2.114  -6.502
  149    HD2  LYS  22           1HD      LYS  22  -4.598   3.966  -8.543
  150    HD3  LYS  22           2HD      LYS  22  -2.906   3.452  -8.570
  151    HE2  LYS  22           1HE      LYS  22  -3.614   1.085  -8.777
  152    HE3  LYS  22           2HE      LYS  22  -5.312   1.584  -8.770
  153    HZ1  LYS  22           3HZ      LYS  22  -4.496   1.270 -11.035
  154    HZ2  LYS  22           1HZ      LYS  22  -3.314   2.373 -10.826
  155    HZ3  LYS  22           2HZ      LYS  22  -4.880   2.839 -10.817
  156    H    SER  23           H        SER  23  -7.047   4.478  -4.254
  157    HA   SER  23           HA       SER  23  -5.348   6.714  -3.694
  158    HB2  SER  23           1HB      SER  23  -7.492   7.725  -2.862
  159    HB3  SER  23           2HB      SER  23  -7.594   7.031  -4.491
  160    HG   SER  23           HG       SER  23  -9.376   6.418  -3.155
  161    H    ASN  24           H        ASN  24  -6.611   4.163  -1.594
  162    HA   ASN  24           HA       ASN  24  -5.877   5.573   0.878
  163    HB2  ASN  24           1HB      ASN  24  -7.843   3.995   0.655
  164    HB3  ASN  24           2HB      ASN  24  -6.691   2.670   0.461
  165   HD21  ASN  24          1HD2      ASN  24  -7.162   1.573   2.324
  166   HD22  ASN  24          2HD2      ASN  24  -6.969   2.257   3.940
  167    H    LEU  25           H        LEU  25  -4.570   2.759  -1.025
  168    HA   LEU  25           HA       LEU  25  -2.216   2.490   0.491
  169    HB2  LEU  25           1HB      LEU  25  -2.788   0.855  -1.257
  170    HB3  LEU  25           2HB      LEU  25  -2.572   2.071  -2.510
  171    HG   LEU  25           HG       LEU  25  -0.222   2.240  -2.028
  172   HD11  LEU  25          1HD1      LEU  25   0.958   0.806  -0.411
  173   HD12  LEU  25          2HD1      LEU  25  -0.598   0.147   0.134
  174   HD13  LEU  25          3HD1      LEU  25  -0.177   1.857   0.416
  175   HD21  LEU  25          3HD2      LEU  25   0.604   0.070  -2.690
  176   HD22  LEU  25          1HD2      LEU  25  -0.880   0.465  -3.572
  177   HD23  LEU  25          2HD2      LEU  25  -0.922  -0.686  -2.203
  178    H    LYS  26           H        LYS  26  -2.739   4.636  -2.295
  179    HA   LYS  26           HA       LYS  26  -0.276   5.974  -2.479
  180    HB2  LYS  26           1HB      LYS  26  -2.266   6.348  -3.929
  181    HB3  LYS  26           2HB      LYS  26  -3.090   7.129  -2.587
  182    HG2  LYS  26           1HG      LYS  26  -1.039   8.831  -2.661
  183    HG3  LYS  26           2HG      LYS  26  -0.786   8.130  -4.262
  184    HD2  LYS  26           1HD      LYS  26  -2.155  10.023  -4.615
  185    HD3  LYS  26           2HD      LYS  26  -3.275   8.645  -4.697
  186    HE2  LYS  26           1HE      LYS  26  -3.986   9.067  -2.365
  187    HE3  LYS  26           2HE      LYS  26  -2.801  10.371  -2.222
  188    HZ1  LYS  26           3HZ      LYS  26  -5.019  11.233  -2.716
  189    HZ2  LYS  26           1HZ      LYS  26  -5.101  10.384  -4.108
  190    HZ3  LYS  26           2HZ      LYS  26  -4.009  11.586  -3.946
  191    H    ALA  27           H        ALA  27  -2.857   6.598  -0.151
  192    HA   ALA  27           HA       ALA  27  -1.580   8.847   1.170
  193    HB1  ALA  27           1HB      ALA  27  -4.038   8.452   1.156
  194    HB2  ALA  27           2HB      ALA  27  -3.797   7.012   2.175
  195    HB3  ALA  27           3HB      ALA  27  -3.379   8.616   2.798
  196    H    HIS  28           H        HIS  28  -1.611   5.330   1.779
  197    HA   HIS  28           HA       HIS  28  -0.026   5.400   4.191
  198    HB2  HIS  28           1HB      HIS  28  -1.350   3.511   3.805
  199    HB3  HIS  28           2HB      HIS  28  -0.742   3.262   2.181
  200    HD1  HIS  28           1HD      HIS  28   0.235   2.640   5.808
  201    HD2  HIS  28           2HD      HIS  28   1.681   2.101   1.892
  202    HE1  HIS  28           1HE      HIS  28   2.249   1.122   6.026
  203    H    MET  29           H        MET  29   0.891   5.011   0.710
  204    HA   MET  29           HA       MET  29   3.678   4.679   1.160
  205    HB2  MET  29           1HB      MET  29   2.249   5.880  -1.248
  206    HB3  MET  29           2HB      MET  29   3.926   5.336  -1.216
  207    HG2  MET  29           1HG      MET  29   1.438   3.635  -0.916
  208    HG3  MET  29           2HG      MET  29   2.579   3.609  -2.229
  209    HE1  MET  29           3HE      MET  29   5.631   1.763  -0.745
  210    HE2  MET  29           1HE      MET  29   4.902   2.525  -2.178
  211    HE3  MET  29           2HE      MET  29   5.420   3.531  -0.797
  212    H    ASN  30           H        ASN  30   1.781   7.636   1.096
  213    HA   ASN  30           HA       ASN  30   4.011   9.474   1.037
  214    HB2  ASN  30           1HB      ASN  30   1.100   9.659   1.834
  215    HB3  ASN  30           2HB      ASN  30   2.209  10.941   2.302
  216   HD21  ASN  30          1HD2      ASN  30   0.989   9.183  -0.609
  217   HD22  ASN  30          2HD2      ASN  30   1.345  10.536  -1.677
  218    H    ARG  31           H        ARG  31   2.669   7.514   3.669
  219    HA   ARG  31           HA       ARG  31   4.046   8.921   5.824
  220    HB2  ARG  31           1HB      ARG  31   3.093   6.033   5.823
  221    HB3  ARG  31           2HB      ARG  31   3.410   7.059   7.217
  222    HG2  ARG  31           1HG      ARG  31   1.512   8.534   6.603
  223    HG3  ARG  31           2HG      ARG  31   1.178   7.514   5.192
  224    HD2  ARG  31           1HD      ARG  31   0.843   5.562   6.713
  225    HD3  ARG  31           2HD      ARG  31   1.024   6.660   8.098
  226    HE   ARG  31           HE       ARG  31  -0.958   7.704   6.321
  227   HH11  ARG  31          2HH1      ARG  31  -0.635   5.068   8.606
  228   HH12  ARG  31          1HH1      ARG  31  -2.352   4.985   8.890
  229   HH21  ARG  31          2HH2      ARG  31  -3.133   7.558   6.747
  230   HH22  ARG  31          1HH2      ARG  31  -3.723   6.361   7.863
  231    H    HIS  32           H        HIS  32   4.938   6.308   3.631
  232    HA   HIS  32           HA       HIS  32   7.496   5.769   4.954
  233    HB2  HIS  32           1HB      HIS  32   6.415   5.087   2.191
  234    HB3  HIS  32           2HB      HIS  32   8.016   4.645   2.753
  235    HD1  HIS  32           1HD      HIS  32   7.956   3.052   5.140
  236    HD2  HIS  32           2HD      HIS  32   4.716   3.165   2.475
  237    HE1  HIS  32           1HE      HIS  32   6.705   0.874   5.490
  238    H    SER  33           H        SER  33   6.323   7.964   2.425
  239    HA   SER  33           HA       SER  33   8.903   8.805   1.471
  240    HB2  SER  33           1HB      SER  33   6.717   8.933   0.236
  241    HB3  SER  33           2HB      SER  33   6.264  10.296   1.280
  242    HG   SER  33           HG       SER  33   7.235  10.952  -0.718
  243    H    THR  34           H        THR  34   6.736  10.149   4.012
  244    HA   THR  34           HA       THR  34   8.305  12.518   4.487
  245    HB   THR  34           HB       THR  34   7.083  12.548   6.713
  246    HG1  THR  34           1HG      THR  34   6.646  10.276   6.772
  247   HG21  THR  34          3HG2      THR  34   5.408  12.344   4.177
  248   HG22  THR  34          1HG2      THR  34   6.260  13.788   4.764
  249   HG23  THR  34          2HG2      THR  34   4.915  13.115   5.701
  250    H    GLU  35           H        GLU  35   9.816  13.038   6.012
  251    HA   GLU  35           HA       GLU  35  11.508  10.879   7.058
  252    HB2  GLU  35           1HB      GLU  35  11.683  13.910   7.249
  253    HB3  GLU  35           2HB      GLU  35  12.888  12.810   7.899
  254    HG2  GLU  35           1HG      GLU  35  12.125  13.105   4.964
  255    HG3  GLU  35           2HG      GLU  35  13.578  13.727   5.734
  256    H    LYS  36           H        LYS  36  12.247  10.801   9.263
  257    HA   LYS  36           HA       LYS  36  10.318  11.673  11.368
  258    HB2  LYS  36           1HB      LYS  36  11.483   8.880  11.024
  259    HB3  LYS  36           2HB      LYS  36  10.671   9.471  12.477
  260    HG2  LYS  36           1HG      LYS  36   8.590   9.866  11.160
  261    HG3  LYS  36           2HG      LYS  36   9.400   9.264   9.708
  262    HD2  LYS  36           1HD      LYS  36   8.020   7.510  10.591
  263    HD3  LYS  36           2HD      LYS  36   9.716   7.051  10.793
  264    HE2  LYS  36           1HE      LYS  36   9.617   7.753  13.180
  265    HE3  LYS  36           2HE      LYS  36   7.935   8.256  12.967
  266    HZ1  LYS  36           3HZ      LYS  36   7.378   5.936  12.467
  267    HZ2  LYS  36           1HZ      LYS  36   8.086   6.034  13.933
  268    HZ3  LYS  36           2HZ      LYS  36   8.936   5.473  12.659
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1  -2.889 -27.915  -6.834
    2    H2   GLY   1           2H       GLY   1  -2.637 -26.720  -5.741
    3    H3   GLY   1           3H       GLY   1  -1.488 -27.064  -6.855
    4    HA2  GLY   1           1HA      GLY   1  -2.911 -26.338  -8.651
    5    HA3  GLY   1           2HA      GLY   1  -4.168 -25.982  -7.452
    6    H    SER   2           H        SER   2  -2.930 -24.142  -9.353
    7    HA   SER   2           HA       SER   2  -1.140 -22.382  -7.838
    8    HB2  SER   2           1HB      SER   2  -1.182 -21.044  -9.924
    9    HB3  SER   2           2HB      SER   2  -0.724 -22.735 -10.181
   10    HG   SER   2           HG       SER   2  -2.269 -21.997 -11.728
   11    H    SER   3           H        SER   3  -4.551 -22.647  -8.053
   12    HA   SER   3           HA       SER   3  -5.224 -19.839  -7.779
   13    HB2  SER   3           1HB      SER   3  -7.509 -20.725  -7.345
   14    HB3  SER   3           2HB      SER   3  -6.780 -21.300  -8.852
   15    HG   SER   3           HG       SER   3  -7.787 -22.994  -7.656
   16    H    GLY   4           H        GLY   4  -6.383 -18.912  -5.979
   17    HA2  GLY   4           1HA      GLY   4  -6.492 -19.930  -3.335
   18    HA3  GLY   4           2HA      GLY   4  -4.978 -19.034  -3.511
   19    H    SER   5           H        SER   5  -6.232 -17.837  -1.720
   20    HA   SER   5           HA       SER   5  -8.375 -16.035  -2.450
   21    HB2  SER   5           1HB      SER   5  -8.002 -16.745  -0.137
   22    HB3  SER   5           2HB      SER   5  -6.430 -15.920  -0.119
   23    HG   SER   5           HG       SER   5  -8.204 -14.680   0.781
   24    H    SER   6           H        SER   6  -8.360 -13.910  -3.028
   25    HA   SER   6           HA       SER   6  -5.983 -12.791  -4.291
   26    HB2  SER   6           1HB      SER   6  -8.692 -11.508  -3.780
   27    HB3  SER   6           2HB      SER   6  -7.456 -10.953  -4.920
   28    HG   SER   6           HG       SER   6  -7.746 -12.888  -6.100
   29    H    GLY   7           H        GLY   7  -7.196 -12.615  -1.056
   30    HA2  GLY   7           1HA      GLY   7  -6.643 -11.308   0.779
   31    HA3  GLY   7           2HA      GLY   7  -5.156 -10.887  -0.072
   32    H    LYS   8           H        LYS   8  -4.897  -8.788  -0.389
   33    HA   LYS   8           HA       LYS   8  -7.229  -7.068  -1.054
   34    HB2  LYS   8           1HB      LYS   8  -4.938  -6.382   0.806
   35    HB3  LYS   8           2HB      LYS   8  -5.915  -5.164   0.006
   36    HG2  LYS   8           1HG      LYS   8  -6.958  -5.280   2.028
   37    HG3  LYS   8           2HG      LYS   8  -7.966  -6.328   1.055
   38    HD2  LYS   8           1HD      LYS   8  -7.675  -7.286   3.251
   39    HD3  LYS   8           2HD      LYS   8  -6.883  -8.313   2.083
   40    HE2  LYS   8           1HE      LYS   8  -5.490  -8.190   4.012
   41    HE3  LYS   8           2HE      LYS   8  -4.667  -7.325   2.719
   42    HZ1  LYS   8           3HZ      LYS   8  -6.276  -6.006   4.853
   43    HZ2  LYS   8           1HZ      LYS   8  -5.347  -5.230   3.739
   44    HZ3  LYS   8           2HZ      LYS   8  -4.655  -6.149   4.892
   45    HA   PRO   9           HA       PRO   9  -5.186  -6.547  -4.823
   46    HB2  PRO   9           1HB      PRO   9  -6.195  -4.193  -5.786
   47    HB3  PRO   9           2HB      PRO   9  -7.112  -5.725  -5.645
   48    HG2  PRO   9           1HG      PRO   9  -6.986  -3.456  -3.642
   49    HG3  PRO   9           2HG      PRO   9  -8.459  -4.223  -4.338
   50    HD2  PRO   9           1HD      PRO   9  -7.506  -4.977  -1.930
   51    HD3  PRO   9           2HD      PRO   9  -8.027  -6.236  -3.102
   52    H    PHE  10           H        PHE  10  -4.880  -3.557  -2.805
   53    HA   PHE  10           HA       PHE  10  -2.384  -2.843  -4.296
   54    HB2  PHE  10           1HB      PHE  10  -4.138  -1.115  -2.563
   55    HB3  PHE  10           2HB      PHE  10  -2.775  -0.601  -3.534
   56    HD1  PHE  10           1HD      PHE  10  -2.801  -0.905  -6.051
   57    HD2  PHE  10           2HD      PHE  10  -6.317  -1.315  -3.601
   58    HE1  PHE  10           1HE      PHE  10  -4.219  -0.768  -8.072
   59    HE2  PHE  10           2HE      PHE  10  -7.743  -1.253  -5.634
   60    HZ   PHE  10           HZ       PHE  10  -6.697  -0.910  -7.876
   61    H    LYS  11           H        LYS  11  -1.053  -4.132  -3.472
   62    HA   LYS  11           HA       LYS  11  -0.359  -4.170  -0.598
   63    HB2  LYS  11           1HB      LYS  11  -0.581  -6.202  -2.197
   64    HB3  LYS  11           2HB      LYS  11   0.979  -5.723  -2.843
   65    HG2  LYS  11           1HG      LYS  11   0.370  -6.477   0.055
   66    HG3  LYS  11           2HG      LYS  11   1.055  -7.539  -1.160
   67    HD2  LYS  11           1HD      LYS  11   3.038  -5.986  -1.328
   68    HD3  LYS  11           2HD      LYS  11   2.370  -5.103   0.077
   69    HE2  LYS  11           1HE      LYS  11   2.353  -7.173   1.399
   70    HE3  LYS  11           2HE      LYS  11   2.998  -8.084   0.028
   71    HZ1  LYS  11           3HZ      LYS  11   4.672  -7.402   1.677
   72    HZ2  LYS  11           1HZ      LYS  11   4.408  -5.819   1.323
   73    HZ3  LYS  11           2HZ      LYS  11   5.029  -6.815   0.172
   74    H    CYS  12           H        CYS  12   0.998  -2.821   0.165
   75    HA   CYS  12           HA       CYS  12   2.530  -0.823  -1.040
   76    HB2  CYS  12           1HB      CYS  12   1.867  -0.859   1.270
   77    HB3  CYS  12           2HB      CYS  12   2.799  -2.329   1.571
   78    H    SER  13           H        SER  13   4.605  -0.526  -1.644
   79    HA   SER  13           HA       SER  13   6.065  -2.821  -2.704
   80    HB2  SER  13           1HB      SER  13   6.807   0.130  -2.661
   81    HB3  SER  13           2HB      SER  13   7.575  -1.136  -3.637
   82    HG   SER  13           HG       SER  13   6.013   0.022  -4.844
   83    H    LEU  14           H        LEU  14   6.075  -1.341   0.336
   84    HA   LEU  14           HA       LEU  14   8.984  -1.913   0.861
   85    HB2  LEU  14           1HB      LEU  14   7.166   0.134   2.177
   86    HB3  LEU  14           2HB      LEU  14   8.897  -0.038   2.407
   87    HG   LEU  14           HG       LEU  14   7.587   0.756  -0.232
   88   HD11  LEU  14          1HD1      LEU  14   7.233   2.462   1.406
   89   HD12  LEU  14          2HD1      LEU  14   8.458   3.012   0.256
   90   HD13  LEU  14          3HD1      LEU  14   8.952   2.454   1.878
   91   HD21  LEU  14          3HD2      LEU  14   9.780  -0.306  -0.567
   92   HD22  LEU  14          1HD2      LEU  14  10.508   0.787   0.633
   93   HD23  LEU  14          2HD2      LEU  14   9.867   1.426  -0.901
   94    H    CYS  15           H        CYS  15   5.731  -1.973   2.249
   95    HA   CYS  15           HA       CYS  15   6.672  -3.888   4.343
   96    HB2  CYS  15           1HB      CYS  15   5.502  -2.825   6.032
   97    HB3  CYS  15           2HB      CYS  15   6.341  -1.547   5.181
   98    H    GLU  16           H        GLU  16   4.534  -4.669   5.549
   99    HA   GLU  16           HA       GLU  16   3.200  -6.327   3.515
  100    HB2  GLU  16           1HB      GLU  16   4.337  -6.965   5.928
  101    HB3  GLU  16           2HB      GLU  16   2.671  -6.735   6.424
  102    HG2  GLU  16           1HG      GLU  16   2.799  -9.019   5.920
  103    HG3  GLU  16           2HG      GLU  16   2.089  -8.367   4.447
  104    H    TYR  17           H        TYR  17   2.462  -3.380   4.370
  105    HA   TYR  17           HA       TYR  17  -0.348  -3.518   5.010
  106    HB2  TYR  17           1HB      TYR  17   1.013  -1.529   5.291
  107    HB3  TYR  17           2HB      TYR  17   1.377  -1.459   3.588
  108    HD1  TYR  17           1HD      TYR  17  -0.351  -0.695   1.961
  109    HD2  TYR  17           2HD      TYR  17  -1.158  -0.773   6.192
  110    HE1  TYR  17           1HE      TYR  17  -2.303   0.831   1.617
  111    HE2  TYR  17           2HE      TYR  17  -3.107   0.741   5.841
  112    HH   TYR  17           HH       TYR  17  -4.360   1.917   4.328
  113    H    ALA  18           H        ALA  18  -2.125  -3.772   3.800
  114    HA   ALA  18           HA       ALA  18  -2.014  -3.280   0.966
  115    HB1  ALA  18           1HB      ALA  18  -1.379  -5.670   1.075
  116    HB2  ALA  18           2HB      ALA  18  -2.896  -6.032   1.900
  117    HB3  ALA  18           3HB      ALA  18  -2.920  -5.415   0.217
  118    H    THR  19           H        THR  19  -3.915  -2.670   0.067
  119    HA   THR  19           HA       THR  19  -6.363  -2.545   1.783
  120    HB   THR  19           HB       THR  19  -5.015  -0.515   2.147
  121    HG1  THR  19           1HG      THR  19  -7.085  -0.096   2.322
  122   HG21  THR  19          3HG2      THR  19  -3.802  -0.411   0.022
  123   HG22  THR  19          1HG2      THR  19  -4.614   1.077   0.456
  124   HG23  THR  19          2HG2      THR  19  -5.309   0.033  -0.808
  125    H    ARG  20           H        ARG  20  -8.250  -1.712   0.624
  126    HA   ARG  20           HA       ARG  20  -8.563  -3.072  -1.992
  127    HB2  ARG  20           1HB      ARG  20 -10.443  -2.259   0.225
  128    HB3  ARG  20           2HB      ARG  20 -11.085  -2.640  -1.365
  129    HG2  ARG  20           1HG      ARG  20  -9.203  -4.559   0.036
  130    HG3  ARG  20           2HG      ARG  20 -10.938  -4.550   0.385
  131    HD2  ARG  20           1HD      ARG  20 -11.500  -4.997  -1.923
  132    HD3  ARG  20           2HD      ARG  20  -9.814  -4.876  -2.432
  133    HE   ARG  20           HE       ARG  20  -9.722  -6.883  -0.551
  134   HH11  ARG  20          2HH1      ARG  20 -11.821  -6.494  -3.333
  135   HH12  ARG  20          1HH1      ARG  20 -11.894  -8.208  -3.626
  136   HH21  ARG  20          2HH2      ARG  20  -9.695  -9.039  -1.118
  137   HH22  ARG  20          1HH2      ARG  20 -10.797  -9.608  -2.346
  138    H    SER  21           H        SER  21  -7.778  -0.005  -1.238
  139    HA   SER  21           HA       SER  21  -8.833   0.912  -3.878
  140    HB2  SER  21           1HB      SER  21 -10.306   1.940  -2.258
  141    HB3  SER  21           2HB      SER  21  -8.924   2.534  -1.318
  142    HG   SER  21           HG       SER  21  -9.921   4.061  -2.853
  143    H    LYS  22           H        LYS  22  -7.389   1.874  -5.146
  144    HA   LYS  22           HA       LYS  22  -4.607   1.972  -4.486
  145    HB2  LYS  22           1HB      LYS  22  -4.294   2.930  -6.664
  146    HB3  LYS  22           2HB      LYS  22  -5.507   1.674  -6.747
  147    HG2  LYS  22           1HG      LYS  22  -7.314   3.407  -6.773
  148    HG3  LYS  22           2HG      LYS  22  -6.075   4.667  -6.711
  149    HD2  LYS  22           1HD      LYS  22  -6.825   4.420  -8.981
  150    HD3  LYS  22           2HD      LYS  22  -5.148   3.870  -8.871
  151    HE2  LYS  22           1HE      LYS  22  -5.923   1.509  -8.825
  152    HE3  LYS  22           2HE      LYS  22  -7.607   2.054  -8.866
  153    HZ1  LYS  22           3HZ      LYS  22  -5.611   2.535 -11.016
  154    HZ2  LYS  22           1HZ      LYS  22  -7.166   3.034 -11.055
  155    HZ3  LYS  22           2HZ      LYS  22  -6.819   1.442 -11.081
  156    H    SER  23           H        SER  23  -7.126   4.400  -4.151
  157    HA   SER  23           HA       SER  23  -5.391   6.644  -3.611
  158    HB2  SER  23           1HB      SER  23  -8.281   6.160  -2.802
  159    HB3  SER  23           2HB      SER  23  -7.426   7.712  -2.747
  160    HG   SER  23           HG       SER  23  -8.666   7.457  -4.677
  161    H    ASN  24           H        ASN  24  -6.720   4.054  -1.561
  162    HA   ASN  24           HA       ASN  24  -5.901   5.256   0.975
  163    HB2  ASN  24           1HB      ASN  24  -6.560   2.392   0.172
  164    HB3  ASN  24           2HB      ASN  24  -6.149   2.881   1.804
  165   HD21  ASN  24          1HD2      ASN  24  -8.407   1.573   1.464
  166   HD22  ASN  24          2HD2      ASN  24  -9.787   2.655   1.671
  167    H    LEU  25           H        LEU  25  -4.473   2.657  -1.129
  168    HA   LEU  25           HA       LEU  25  -2.086   2.488   0.310
  169    HB2  LEU  25           1HB      LEU  25  -2.680   0.855  -1.437
  170    HB3  LEU  25           2HB      LEU  25  -2.448   2.072  -2.688
  171    HG   LEU  25           HG       LEU  25  -0.098   2.252  -2.148
  172   HD11  LEU  25          1HD1      LEU  25   1.039   0.748  -0.550
  173   HD12  LEU  25          2HD1      LEU  25  -0.539   0.118  -0.039
  174   HD13  LEU  25          3HD1      LEU  25  -0.081   1.814   0.273
  175   HD21  LEU  25          3HD2      LEU  25  -0.742   0.495  -3.743
  176   HD22  LEU  25          1HD2      LEU  25  -0.768  -0.676  -2.395
  177   HD23  LEU  25          2HD2      LEU  25   0.747   0.110  -2.857
  178    H    LYS  26           H        LYS  26  -2.736   4.640  -2.455
  179    HA   LYS  26           HA       LYS  26  -0.279   6.001  -2.614
  180    HB2  LYS  26           1HB      LYS  26  -2.117   6.272  -4.173
  181    HB3  LYS  26           2HB      LYS  26  -3.120   7.052  -2.967
  182    HG2  LYS  26           1HG      LYS  26  -0.444   8.246  -3.777
  183    HG3  LYS  26           2HG      LYS  26  -1.839   8.421  -4.826
  184    HD2  LYS  26           1HD      LYS  26  -1.671   9.483  -1.974
  185    HD3  LYS  26           2HD      LYS  26  -1.513  10.405  -3.465
  186    HE2  LYS  26           1HE      LYS  26  -3.839   9.710  -4.111
  187    HE3  LYS  26           2HE      LYS  26  -4.007   8.908  -2.541
  188    HZ1  LYS  26           3HZ      LYS  26  -3.652  11.077  -1.474
  189    HZ2  LYS  26           1HZ      LYS  26  -4.928  11.152  -2.489
  190    HZ3  LYS  26           2HZ      LYS  26  -3.503  11.813  -2.926
  191    H    ALA  27           H        ALA  27  -2.827   6.493  -0.196
  192    HA   ALA  27           HA       ALA  27  -1.545   8.821   1.024
  193    HB1  ALA  27           1HB      ALA  27  -3.289   8.550   2.727
  194    HB2  ALA  27           2HB      ALA  27  -4.000   8.419   1.104
  195    HB3  ALA  27           3HB      ALA  27  -3.720   6.957   2.078
  196    H    HIS  28           H        HIS  28  -1.648   5.302   1.689
  197    HA   HIS  28           HA       HIS  28  -0.067   5.307   4.079
  198    HB2  HIS  28           1HB      HIS  28  -1.406   3.437   3.576
  199    HB3  HIS  28           2HB      HIS  28  -0.708   3.239   1.977
  200    HD1  HIS  28           1HD      HIS  28   0.093   2.493   5.626
  201    HD2  HIS  28           2HD      HIS  28   1.712   2.113   1.760
  202    HE1  HIS  28           1HE      HIS  28   2.122   0.999   5.881
  203    H    MET  29           H        MET  29   0.917   5.054   0.605
  204    HA   MET  29           HA       MET  29   3.687   4.645   1.122
  205    HB2  MET  29           1HB      MET  29   2.345   5.942  -1.284
  206    HB3  MET  29           2HB      MET  29   4.018   5.385  -1.219
  207    HG2  MET  29           1HG      MET  29   1.511   3.693  -1.051
  208    HG3  MET  29           2HG      MET  29   2.689   3.696  -2.323
  209    HE1  MET  29           3HE      MET  29   5.019   2.599  -2.208
  210    HE2  MET  29           1HE      MET  29   5.482   3.540  -0.764
  211    HE3  MET  29           2HE      MET  29   5.673   1.768  -0.777
  212    H    ASN  30           H        ASN  30   1.820   7.649   1.056
  213    HA   ASN  30           HA       ASN  30   4.142   9.388   1.251
  214    HB2  ASN  30           1HB      ASN  30   1.159   9.745   1.643
  215    HB3  ASN  30           2HB      ASN  30   2.298  11.003   2.124
  216   HD21  ASN  30          1HD2      ASN  30   1.067   9.203  -0.731
  217   HD22  ASN  30          2HD2      ASN  30   1.679  10.403  -1.858
  218    H    ARG  31           H        ARG  31   2.595   7.339   3.623
  219    HA   ARG  31           HA       ARG  31   3.692   8.780   5.950
  220    HB2  ARG  31           1HB      ARG  31   2.739   5.902   5.804
  221    HB3  ARG  31           2HB      ARG  31   3.066   6.847   7.246
  222    HG2  ARG  31           1HG      ARG  31   1.239   8.454   6.612
  223    HG3  ARG  31           2HG      ARG  31   0.864   7.431   5.223
  224    HD2  ARG  31           1HD      ARG  31  -0.693   6.888   6.929
  225    HD3  ARG  31           2HD      ARG  31   0.430   5.523   6.771
  226    HE   ARG  31           HE       ARG  31   1.389   7.295   8.803
  227   HH11  ARG  31          2HH1      ARG  31  -1.283   5.067   8.385
  228   HH12  ARG  31          1HH1      ARG  31  -1.407   4.754  10.093
  229   HH21  ARG  31          2HH2      ARG  31   1.179   6.845  10.969
  230   HH22  ARG  31          1HH2      ARG  31  -0.051   5.744  11.512
  231    H    HIS  32           H        HIS  32   4.837   6.283   3.729
  232    HA   HIS  32           HA       HIS  32   7.217   5.683   5.296
  233    HB2  HIS  32           1HB      HIS  32   6.472   5.150   2.399
  234    HB3  HIS  32           2HB      HIS  32   8.024   4.718   3.084
  235    HD1  HIS  32           1HD      HIS  32   7.851   2.972   5.316
  236    HD2  HIS  32           2HD      HIS  32   4.726   3.215   2.522
  237    HE1  HIS  32           1HE      HIS  32   6.589   0.784   5.506
  238    H    SER  33           H        SER  33   6.355   8.202   3.000
  239    HA   SER  33           HA       SER  33   8.972   9.019   2.242
  240    HB2  SER  33           1HB      SER  33   6.359  10.573   2.191
  241    HB3  SER  33           2HB      SER  33   7.830  10.998   1.311
  242    HG   SER  33           HG       SER  33   6.492   9.855  -0.064
  243    H    THR  34           H        THR  34   8.023   9.223   5.356
  244    HA   THR  34           HA       THR  34   8.552  11.940   6.118
  245    HB   THR  34           HB       THR  34   8.955  10.899   8.394
  246    HG1  THR  34           1HG      THR  34   8.371   8.687   8.533
  247   HG21  THR  34          3HG2      THR  34   6.713  11.648   7.726
  248   HG22  THR  34          1HG2      THR  34   6.618  10.175   8.707
  249   HG23  THR  34          2HG2      THR  34   6.397  10.086   6.946
  250    H    GLU  35           H        GLU  35  10.371  12.896   7.071
  251    HA   GLU  35           HA       GLU  35  13.009  12.007   6.217
  252    HB2  GLU  35           1HB      GLU  35  12.140  14.179   8.165
  253    HB3  GLU  35           2HB      GLU  35  13.806  13.886   7.648
  254    HG2  GLU  35           1HG      GLU  35  13.142  14.290   5.282
  255    HG3  GLU  35           2HG      GLU  35  11.497  14.654   5.808
  256    H    LYS  36           H        LYS  36  14.717  11.228   7.498
  257    HA   LYS  36           HA       LYS  36  13.957   9.872  10.051
  258    HB2  LYS  36           1HB      LYS  36  15.485   8.438   7.865
  259    HB3  LYS  36           2HB      LYS  36  14.701   7.774   9.302
  260    HG2  LYS  36           1HG      LYS  36  12.473   8.550   8.251
  261    HG3  LYS  36           2HG      LYS  36  13.412   8.849   6.772
  262    HD2  LYS  36           1HD      LYS  36  14.162   6.385   6.962
  263    HD3  LYS  36           2HD      LYS  36  12.861   6.206   8.148
  264    HE2  LYS  36           1HE      LYS  36  12.654   7.000   5.213
  265    HE3  LYS  36           2HE      LYS  36  12.044   5.524   5.965
  266    HZ1  LYS  36           3HZ      LYS  36  11.008   8.278   6.404
  267    HZ2  LYS  36           1HZ      LYS  36  10.452   6.965   7.212
  268    HZ3  LYS  36           2HZ      LYS  36  10.256   7.097   5.589
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1   6.114 -21.667  -6.304
    2    H2   GLY   1           2H       GLY   1   5.102 -21.100  -7.459
    3    H3   GLY   1           3H       GLY   1   4.539 -21.394  -5.949
    4    HA2  GLY   1           1HA      GLY   1   5.900 -19.641  -5.026
    5    HA3  GLY   1           2HA      GLY   1   6.524 -19.330  -6.655
    6    H    SER   2           H        SER   2   4.991 -17.610  -4.751
    7    HA   SER   2           HA       SER   2   2.747 -16.761  -6.532
    8    HB2  SER   2           1HB      SER   2   2.602 -17.045  -3.505
    9    HB3  SER   2           2HB      SER   2   1.346 -16.358  -4.550
   10    HG   SER   2           HG       SER   2   0.954 -18.569  -4.034
   11    H    SER   3           H        SER   3   2.095 -14.548  -6.278
   12    HA   SER   3           HA       SER   3   4.258 -12.686  -5.678
   13    HB2  SER   3           1HB      SER   3   2.671 -10.978  -6.433
   14    HB3  SER   3           2HB      SER   3   2.800 -12.313  -7.587
   15    HG   SER   3           HG       SER   3   0.620 -11.749  -7.240
   16    H    GLY   4           H        GLY   4   3.948 -10.774  -4.297
   17    HA2  GLY   4           1HA      GLY   4   3.262 -11.530  -1.596
   18    HA3  GLY   4           2HA      GLY   4   3.851  -9.962  -2.148
   19    H    SER   5           H        SER   5   1.223 -10.261  -4.024
   20    HA   SER   5           HA       SER   5  -0.390  -8.517  -2.335
   21    HB2  SER   5           1HB      SER   5  -0.864  -9.458  -5.179
   22    HB3  SER   5           2HB      SER   5  -1.690  -8.124  -4.351
   23    HG   SER   5           HG       SER   5   0.057  -7.413  -5.688
   24    H    SER   6           H        SER   6  -0.409 -10.917  -1.075
   25    HA   SER   6           HA       SER   6  -2.342 -12.810  -1.871
   26    HB2  SER   6           1HB      SER   6  -1.289 -12.230   0.922
   27    HB3  SER   6           2HB      SER   6  -2.113 -13.713   0.398
   28    HG   SER   6           HG       SER   6   0.169 -13.935   0.340
   29    H    GLY   7           H        GLY   7  -4.400 -12.225  -2.275
   30    HA2  GLY   7           1HA      GLY   7  -6.630 -12.064  -1.728
   31    HA3  GLY   7           2HA      GLY   7  -6.194 -11.856  -0.033
   32    H    LYS   8           H        LYS   8  -4.547  -9.419  -1.580
   33    HA   LYS   8           HA       LYS   8  -6.807  -7.473  -1.462
   34    HB2  LYS   8           1HB      LYS   8  -4.116  -7.172  -0.079
   35    HB3  LYS   8           2HB      LYS   8  -5.237  -5.853  -0.371
   36    HG2  LYS   8           1HG      LYS   8  -5.764  -6.333   1.786
   37    HG3  LYS   8           2HG      LYS   8  -6.994  -7.239   0.924
   38    HD2  LYS   8           1HD      LYS   8  -6.184  -8.550   2.776
   39    HD3  LYS   8           2HD      LYS   8  -5.641  -9.332   1.302
   40    HE2  LYS   8           1HE      LYS   8  -3.404  -8.133   1.607
   41    HE3  LYS   8           2HE      LYS   8  -3.998  -7.588   3.185
   42    HZ1  LYS   8           3HZ      LYS   8  -3.654 -10.403   2.309
   43    HZ2  LYS   8           1HZ      LYS   8  -4.261  -9.967   3.775
   44    HZ3  LYS   8           2HZ      LYS   8  -2.706  -9.625   3.395
   45    HA   PRO   9           HA       PRO   9  -5.115  -6.367  -5.346
   46    HB2  PRO   9           1HB      PRO   9  -6.355  -3.999  -5.906
   47    HB3  PRO   9           2HB      PRO   9  -7.197  -5.579  -5.852
   48    HG2  PRO   9           1HG      PRO   9  -6.961  -3.536  -3.621
   49    HG3  PRO   9           2HG      PRO   9  -8.455  -4.298  -4.262
   50    HD2  PRO   9           1HD      PRO   9  -7.211  -5.248  -2.046
   51    HD3  PRO   9           2HD      PRO   9  -7.878  -6.385  -3.259
   52    H    PHE  10           H        PHE  10  -4.840  -3.742  -2.868
   53    HA   PHE  10           HA       PHE  10  -2.345  -2.776  -4.233
   54    HB2  PHE  10           1HB      PHE  10  -4.204  -1.157  -2.502
   55    HB3  PHE  10           2HB      PHE  10  -2.850  -0.598  -3.451
   56    HD1  PHE  10           1HD      PHE  10  -2.897  -0.754  -5.990
   57    HD2  PHE  10           2HD      PHE  10  -6.382  -1.324  -3.525
   58    HE1  PHE  10           1HE      PHE  10  -4.344  -0.484  -7.978
   59    HE2  PHE  10           2HE      PHE  10  -7.841  -1.067  -5.524
   60    HZ   PHE  10           HZ       PHE  10  -6.817  -0.623  -7.754
   61    H    LYS  11           H        LYS  11  -1.047  -4.095  -3.357
   62    HA   LYS  11           HA       LYS  11  -0.439  -4.038  -0.440
   63    HB2  LYS  11           1HB      LYS  11  -0.541  -6.240  -1.335
   64    HB3  LYS  11           2HB      LYS  11   0.377  -5.795  -2.765
   65    HG2  LYS  11           1HG      LYS  11   1.681  -7.197  -1.328
   66    HG3  LYS  11           2HG      LYS  11   2.437  -5.626  -1.493
   67    HD2  LYS  11           1HD      LYS  11   1.839  -4.997   0.739
   68    HD3  LYS  11           2HD      LYS  11   0.800  -6.423   0.954
   69    HE2  LYS  11           1HE      LYS  11   3.717  -6.718   0.165
   70    HE3  LYS  11           2HE      LYS  11   3.313  -6.385   1.840
   71    HZ1  LYS  11           3HZ      LYS  11   2.160  -8.693   0.359
   72    HZ2  LYS  11           1HZ      LYS  11   2.024  -8.382   1.966
   73    HZ3  LYS  11           2HZ      LYS  11   3.472  -8.795   1.338
   74    H    CYS  12           H        CYS  12   0.959  -2.751   0.288
   75    HA   CYS  12           HA       CYS  12   2.537  -0.803  -0.965
   76    HB2  CYS  12           1HB      CYS  12   1.884  -0.789   1.355
   77    HB3  CYS  12           2HB      CYS  12   2.766  -2.285   1.671
   78    H    SER  13           H        SER  13   4.618  -0.623  -1.591
   79    HA   SER  13           HA       SER  13   5.971  -3.013  -2.598
   80    HB2  SER  13           1HB      SER  13   6.817  -0.092  -2.677
   81    HB3  SER  13           2HB      SER  13   7.532  -1.419  -3.610
   82    HG   SER  13           HG       SER  13   5.998  -0.252  -4.844
   83    H    LEU  14           H        LEU  14   6.047  -1.472   0.391
   84    HA   LEU  14           HA       LEU  14   8.949  -2.079   0.915
   85    HB2  LEU  14           1HB      LEU  14   7.154   0.010   2.196
   86    HB3  LEU  14           2HB      LEU  14   8.878  -0.171   2.442
   87    HG   LEU  14           HG       LEU  14   7.604   0.575  -0.231
   88   HD11  LEU  14          1HD1      LEU  14   7.242   2.321   1.355
   89   HD12  LEU  14          2HD1      LEU  14   8.494   2.834   0.220
   90   HD13  LEU  14          3HD1      LEU  14   8.949   2.307   1.862
   91   HD21  LEU  14          3HD2      LEU  14   9.799  -0.511  -0.507
   92   HD22  LEU  14          1HD2      LEU  14  10.513   0.606   0.679
   93   HD23  LEU  14          2HD2      LEU  14   9.903   1.214  -0.878
   94    H    CYS  15           H        CYS  15   5.701  -2.084   2.298
   95    HA   CYS  15           HA       CYS  15   6.603  -4.006   4.400
   96    HB2  CYS  15           1HB      CYS  15   5.472  -2.890   6.101
   97    HB3  CYS  15           2HB      CYS  15   6.406  -1.666   5.261
   98    H    GLU  16           H        GLU  16   4.518  -4.726   5.662
   99    HA   GLU  16           HA       GLU  16   3.000  -6.323   3.730
  100    HB2  GLU  16           1HB      GLU  16   4.126  -6.807   6.242
  101    HB3  GLU  16           2HB      GLU  16   2.436  -6.655   6.632
  102    HG2  GLU  16           1HG      GLU  16   3.712  -8.539   4.587
  103    HG3  GLU  16           2HG      GLU  16   3.194  -8.991   6.203
  104    H    TYR  17           H        TYR  17   2.454  -3.295   4.497
  105    HA   TYR  17           HA       TYR  17  -0.361  -3.299   5.181
  106    HB2  TYR  17           1HB      TYR  17   1.091  -1.363   5.428
  107    HB3  TYR  17           2HB      TYR  17   1.427  -1.323   3.720
  108    HD1  TYR  17           1HD      TYR  17  -0.357  -0.636   2.099
  109    HD2  TYR  17           2HD      TYR  17  -1.016  -0.463   6.351
  110    HE1  TYR  17           1HE      TYR  17  -2.339   0.841   1.728
  111    HE2  TYR  17           2HE      TYR  17  -2.982   1.026   5.981
  112    HH   TYR  17           HH       TYR  17  -4.314   2.079   4.438
  113    H    ALA  18           H        ALA  18  -2.123  -3.602   3.986
  114    HA   ALA  18           HA       ALA  18  -2.020  -3.077   1.145
  115    HB1  ALA  18           1HB      ALA  18  -2.947  -5.195   0.409
  116    HB2  ALA  18           2HB      ALA  18  -1.424  -5.499   1.275
  117    HB3  ALA  18           3HB      ALA  18  -2.971  -5.800   2.091
  118    H    THR  19           H        THR  19  -4.008  -2.720   0.168
  119    HA   THR  19           HA       THR  19  -6.439  -2.517   1.875
  120    HB   THR  19           HB       THR  19  -5.138  -0.443   2.206
  121    HG1  THR  19           1HG      THR  19  -7.238  -0.105   2.333
  122   HG21  THR  19          3HG2      THR  19  -3.917  -0.410   0.063
  123   HG22  THR  19          1HG2      THR  19  -4.698   1.093   0.488
  124   HG23  THR  19          2HG2      THR  19  -5.421   0.051  -0.764
  125    H    ARG  20           H        ARG  20  -8.301  -1.693   0.620
  126    HA   ARG  20           HA       ARG  20  -8.518  -3.192  -1.919
  127    HB2  ARG  20           1HB      ARG  20 -10.437  -2.280   0.222
  128    HB3  ARG  20           2HB      ARG  20 -11.086  -2.585  -1.378
  129    HG2  ARG  20           1HG      ARG  20  -9.340  -4.590   0.082
  130    HG3  ARG  20           2HG      ARG  20 -11.096  -4.562   0.257
  131    HD2  ARG  20           1HD      ARG  20  -9.732  -4.860  -2.465
  132    HD3  ARG  20           2HD      ARG  20 -10.121  -6.217  -1.433
  133    HE   ARG  20           HE       ARG  20 -12.418  -5.898  -1.749
  134   HH11  ARG  20          2HH1      ARG  20 -10.802  -3.313  -3.571
  135   HH12  ARG  20          1HH1      ARG  20 -12.154  -3.175  -4.643
  136   HH21  ARG  20          2HH2      ARG  20 -14.085  -5.548  -3.119
  137   HH22  ARG  20          1HH2      ARG  20 -13.961  -4.345  -4.367
  138    H    SER  21           H        SER  21  -7.993   0.008  -1.162
  139    HA   SER  21           HA       SER  21  -8.925   0.840  -3.887
  140    HB2  SER  21           1HB      SER  21 -10.496   1.756  -2.256
  141    HB3  SER  21           2HB      SER  21  -9.154   2.481  -1.344
  142    HG   SER  21           HG       SER  21 -10.240   3.912  -2.879
  143    H    LYS  22           H        LYS  22  -7.482   1.934  -5.095
  144    HA   LYS  22           HA       LYS  22  -4.732   1.984  -4.365
  145    HB2  LYS  22           1HB      LYS  22  -5.805   1.907  -6.695
  146    HB3  LYS  22           2HB      LYS  22  -6.011   3.654  -6.566
  147    HG2  LYS  22           1HG      LYS  22  -3.592   3.966  -6.380
  148    HG3  LYS  22           2HG      LYS  22  -3.337   2.221  -6.215
  149    HD2  LYS  22           1HD      LYS  22  -2.718   3.079  -8.449
  150    HD3  LYS  22           2HD      LYS  22  -3.950   1.813  -8.504
  151    HE2  LYS  22           1HE      LYS  22  -5.717   3.465  -8.824
  152    HE3  LYS  22           2HE      LYS  22  -4.557   4.795  -8.647
  153    HZ1  LYS  22           3HZ      LYS  22  -5.018   4.318 -10.988
  154    HZ2  LYS  22           1HZ      LYS  22  -4.519   2.772 -10.832
  155    HZ3  LYS  22           2HZ      LYS  22  -3.451   3.999 -10.673
  156    H    SER  23           H        SER  23  -7.200   4.500  -4.124
  157    HA   SER  23           HA       SER  23  -5.486   6.700  -3.481
  158    HB2  SER  23           1HB      SER  23  -8.378   6.192  -2.690
  159    HB3  SER  23           2HB      SER  23  -7.532   7.751  -2.613
  160    HG   SER  23           HG       SER  23  -8.759   7.509  -4.552
  161    H    ASN  24           H        ASN  24  -6.693   4.042  -1.468
  162    HA   ASN  24           HA       ASN  24  -5.940   5.291   1.079
  163    HB2  ASN  24           1HB      ASN  24  -6.560   2.417   0.295
  164    HB3  ASN  24           2HB      ASN  24  -6.205   2.938   1.933
  165   HD21  ASN  24          1HD2      ASN  24  -8.452   1.585   1.444
  166   HD22  ASN  24          2HD2      ASN  24  -9.848   2.655   1.623
  167    H    LEU  25           H        LEU  25  -4.496   2.723  -1.036
  168    HA   LEU  25           HA       LEU  25  -2.118   2.520   0.440
  169    HB2  LEU  25           1HB      LEU  25  -2.719   0.849  -1.255
  170    HB3  LEU  25           2HB      LEU  25  -2.536   2.040  -2.541
  171    HG   LEU  25           HG       LEU  25  -0.177   2.242  -2.088
  172   HD11  LEU  25          1HD1      LEU  25  -0.525   0.163   0.092
  173   HD12  LEU  25          2HD1      LEU  25  -0.086   1.873   0.346
  174   HD13  LEU  25          3HD1      LEU  25   1.029   0.803  -0.484
  175   HD21  LEU  25          3HD2      LEU  25  -0.873  -0.683  -2.257
  176   HD22  LEU  25          1HD2      LEU  25   0.653   0.072  -2.749
  177   HD23  LEU  25          2HD2      LEU  25  -0.836   0.474  -3.622
  178    H    LYS  26           H        LYS  26  -2.745   4.614  -2.360
  179    HA   LYS  26           HA       LYS  26  -0.349   6.012  -2.663
  180    HB2  LYS  26           1HB      LYS  26  -2.407   6.349  -3.991
  181    HB3  LYS  26           2HB      LYS  26  -3.218   7.038  -2.590
  182    HG2  LYS  26           1HG      LYS  26  -1.415   8.926  -2.684
  183    HG3  LYS  26           2HG      LYS  26  -0.996   8.242  -4.260
  184    HD2  LYS  26           1HD      LYS  26  -2.577   9.924  -4.776
  185    HD3  LYS  26           2HD      LYS  26  -3.500   8.419  -4.819
  186    HE2  LYS  26           1HE      LYS  26  -4.890   9.948  -3.700
  187    HE3  LYS  26           2HE      LYS  26  -4.251   8.902  -2.432
  188    HZ1  LYS  26           3HZ      LYS  26  -3.241  11.624  -3.104
  189    HZ2  LYS  26           1HZ      LYS  26  -2.629  10.683  -1.916
  190    HZ3  LYS  26           2HZ      LYS  26  -4.155  11.254  -1.807
  191    H    ALA  27           H        ALA  27  -2.818   6.587  -0.201
  192    HA   ALA  27           HA       ALA  27  -1.492   8.847   1.062
  193    HB1  ALA  27           1HB      ALA  27  -3.699   7.033   2.122
  194    HB2  ALA  27           2HB      ALA  27  -3.243   8.626   2.751
  195    HB3  ALA  27           3HB      ALA  27  -3.944   8.485   1.127
  196    H    HIS  28           H        HIS  28  -1.569   5.328   1.750
  197    HA   HIS  28           HA       HIS  28   0.057   5.400   4.121
  198    HB2  HIS  28           1HB      HIS  28  -1.290   3.514   3.710
  199    HB3  HIS  28           2HB      HIS  28  -0.642   3.274   2.096
  200    HD1  HIS  28           1HD      HIS  28   0.294   2.659   5.744
  201    HD2  HIS  28           2HD      HIS  28   1.745   2.103   1.836
  202    HE1  HIS  28           1HE      HIS  28   2.314   1.150   5.975
  203    H    MET  29           H        MET  29   0.952   5.039   0.632
  204    HA   MET  29           HA       MET  29   3.751   4.705   1.091
  205    HB2  MET  29           1HB      MET  29   2.324   5.876  -1.333
  206    HB3  MET  29           2HB      MET  29   4.003   5.336  -1.287
  207    HG2  MET  29           1HG      MET  29   1.513   3.636  -0.986
  208    HG3  MET  29           2HG      MET  29   2.665   3.592  -2.287
  209    HE1  MET  29           3HE      MET  29   5.017   2.524  -2.167
  210    HE2  MET  29           1HE      MET  29   5.496   3.535  -0.774
  211    HE3  MET  29           2HE      MET  29   5.706   1.764  -0.712
  212    H    ASN  30           H        ASN  30   1.817   7.627   1.072
  213    HA   ASN  30           HA       ASN  30   4.086   9.450   1.057
  214    HB2  ASN  30           1HB      ASN  30   1.135   9.731   1.628
  215    HB3  ASN  30           2HB      ASN  30   2.259  11.006   2.094
  216   HD21  ASN  30          1HD2      ASN  30   1.109   9.150  -0.779
  217   HD22  ASN  30          2HD2      ASN  30   1.607  10.412  -1.899
  218    H    ARG  31           H        ARG  31   2.660   7.456   3.584
  219    HA   ARG  31           HA       ARG  31   3.901   8.893   5.819
  220    HB2  ARG  31           1HB      ARG  31   3.022   5.983   5.746
  221    HB3  ARG  31           2HB      ARG  31   3.329   6.977   7.163
  222    HG2  ARG  31           1HG      ARG  31   1.412   8.444   6.592
  223    HG3  ARG  31           2HG      ARG  31   1.083   7.452   5.160
  224    HD2  ARG  31           1HD      ARG  31   0.777   5.463   6.635
  225    HD3  ARG  31           2HD      ARG  31   0.975   6.522   8.049
  226    HE   ARG  31           HE       ARG  31  -1.045   7.623   6.371
  227   HH11  ARG  31          2HH1      ARG  31  -0.666   4.864   8.496
  228   HH12  ARG  31          1HH1      ARG  31  -2.378   4.742   8.793
  229   HH21  ARG  31          2HH2      ARG  31  -3.216   7.422   6.808
  230   HH22  ARG  31          1HH2      ARG  31  -3.777   6.160   7.862
  231    H    HIS  32           H        HIS  32   4.875   6.206   3.699
  232    HA   HIS  32           HA       HIS  32   7.447   5.788   4.994
  233    HB2  HIS  32           1HB      HIS  32   6.411   5.129   2.209
  234    HB3  HIS  32           2HB      HIS  32   8.020   4.717   2.770
  235    HD1  HIS  32           1HD      HIS  32   7.992   3.082   5.127
  236    HD2  HIS  32           2HD      HIS  32   4.755   3.166   2.458
  237    HE1  HIS  32           1HE      HIS  32   6.787   0.871   5.440
  238    H    SER  33           H        SER  33   6.238   8.075   2.614
  239    HA   SER  33           HA       SER  33   8.872   9.020   1.761
  240    HB2  SER  33           1HB      SER  33   6.109  10.147   1.198
  241    HB3  SER  33           2HB      SER  33   7.605  10.596   0.382
  242    HG   SER  33           HG       SER  33   6.323   8.045   0.345
  243    H    THR  34           H        THR  34   7.269   9.617   4.608
  244    HA   THR  34           HA       THR  34   8.450  12.342   4.936
  245    HB   THR  34           HB       THR  34   6.481  12.913   6.378
  246    HG1  THR  34           1HG      THR  34   5.157  10.860   4.974
  247   HG21  THR  34          3HG2      THR  34   5.821  12.396   3.449
  248   HG22  THR  34          1HG2      THR  34   6.670  13.813   4.099
  249   HG23  THR  34          2HG2      THR  34   4.982  13.514   4.546
  250    H    GLU  35           H        GLU  35   8.596  13.000   7.259
  251    HA   GLU  35           HA       GLU  35   9.280  10.728   9.080
  252    HB2  GLU  35           1HB      GLU  35  10.997  13.172   8.478
  253    HB3  GLU  35           2HB      GLU  35  11.291  12.012   9.778
  254    HG2  GLU  35           1HG      GLU  35  11.509  10.187   8.090
  255    HG3  GLU  35           2HG      GLU  35  11.320  11.376   6.797
  256    H    LYS  36           H        LYS  36   9.455  11.251  11.286
  257    HA   LYS  36           HA       LYS  36   7.139  12.764  12.151
  258    HB2  LYS  36           1HB      LYS  36   7.884  10.455  12.923
  259    HB3  LYS  36           2HB      LYS  36   9.171  11.255  13.842
  260    HG2  LYS  36           1HG      LYS  36   7.407  12.603  15.020
  261    HG3  LYS  36           2HG      LYS  36   6.169  11.707  14.133
  262    HD2  LYS  36           1HD      LYS  36   8.225  10.528  16.056
  263    HD3  LYS  36           2HD      LYS  36   6.549  10.866  16.470
  264    HE2  LYS  36           1HE      LYS  36   7.470   8.863  14.353
  265    HE3  LYS  36           2HE      LYS  36   7.026   8.457  16.009
  266    HZ1  LYS  36           3HZ      LYS  36   5.180   9.653  14.013
  267    HZ2  LYS  36           1HZ      LYS  36   4.785   9.304  15.561
  268    HZ3  LYS  36           2HZ      LYS  36   5.161   8.105  14.523
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1   1.050 -25.302   2.831
    2    H2   GLY   1           2H       GLY   1  -0.302 -25.185   3.745
    3    H3   GLY   1           3H       GLY   1   1.134 -24.666   4.340
    4    HA2  GLY   1           1HA      GLY   1  -0.205 -22.778   3.701
    5    HA3  GLY   1           2HA      GLY   1   1.258 -22.909   2.706
    6    H    SER   2           H        SER   2  -0.297 -21.452   1.423
    7    HA   SER   2           HA       SER   2  -1.445 -23.073  -0.772
    8    HB2  SER   2           1HB      SER   2  -3.402 -22.812   0.593
    9    HB3  SER   2           2HB      SER   2  -3.090 -21.086   0.832
   10    HG   SER   2           HG       SER   2  -4.691 -21.595  -0.809
   11    H    SER   3           H        SER   3  -1.300 -19.643   0.330
   12    HA   SER   3           HA       SER   3  -0.898 -17.710  -0.743
   13    HB2  SER   3           1HB      SER   3   1.220 -19.250  -2.273
   14    HB3  SER   3           2HB      SER   3   1.103 -17.491  -2.106
   15    HG   SER   3           HG       SER   3   1.512 -19.392  -0.022
   16    H    GLY   4           H        GLY   4  -2.934 -19.550  -2.004
   17    HA2  GLY   4           1HA      GLY   4  -2.930 -19.179  -4.837
   18    HA3  GLY   4           2HA      GLY   4  -4.301 -19.647  -3.834
   19    H    SER   5           H        SER   5  -3.684 -16.862  -2.406
   20    HA   SER   5           HA       SER   5  -4.551 -14.918  -4.435
   21    HB2  SER   5           1HB      SER   5  -6.688 -15.851  -3.638
   22    HB3  SER   5           2HB      SER   5  -6.232 -15.491  -1.961
   23    HG   SER   5           HG       SER   5  -7.596 -13.889  -3.033
   24    H    SER   6           H        SER   6  -4.151 -12.782  -3.857
   25    HA   SER   6           HA       SER   6  -2.275 -12.241  -1.651
   26    HB2  SER   6           1HB      SER   6  -2.295  -9.948  -2.636
   27    HB3  SER   6           2HB      SER   6  -1.840 -11.215  -3.789
   28    HG   SER   6           HG       SER   6  -3.392  -9.701  -4.632
   29    H    GLY   7           H        GLY   7  -5.688 -12.204  -2.068
   30    HA2  GLY   7           1HA      GLY   7  -7.399 -11.682  -0.618
   31    HA3  GLY   7           2HA      GLY   7  -6.210 -11.171   0.580
   32    H    LYS   8           H        LYS   8  -4.968  -9.080  -0.901
   33    HA   LYS   8           HA       LYS   8  -7.147  -7.084  -1.339
   34    HB2  LYS   8           1HB      LYS   8  -4.598  -6.786   0.277
   35    HB3  LYS   8           2HB      LYS   8  -5.448  -5.408  -0.394
   36    HG2  LYS   8           1HG      LYS   8  -6.193  -5.461   1.776
   37    HG3  LYS   8           2HG      LYS   8  -7.524  -6.131   0.854
   38    HD2  LYS   8           1HD      LYS   8  -7.200  -7.262   2.996
   39    HD3  LYS   8           2HD      LYS   8  -6.972  -8.392   1.672
   40    HE2  LYS   8           1HE      LYS   8  -4.513  -8.207   1.900
   41    HE3  LYS   8           2HE      LYS   8  -4.715  -6.977   3.159
   42    HZ1  LYS   8           3HZ      LYS   8  -4.317  -9.173   4.117
   43    HZ2  LYS   8           1HZ      LYS   8  -5.631  -9.798   3.381
   44    HZ3  LYS   8           2HZ      LYS   8  -5.805  -8.659   4.541
   45    HA   PRO   9           HA       PRO   9  -5.137  -6.454  -5.220
   46    HB2  PRO   9           1HB      PRO   9  -6.133  -4.032  -5.994
   47    HB3  PRO   9           2HB      PRO   9  -7.097  -5.542  -5.927
   48    HG2  PRO   9           1HG      PRO   9  -6.854  -3.408  -3.782
   49    HG3  PRO   9           2HG      PRO   9  -8.361  -4.081  -4.496
   50    HD2  PRO   9           1HD      PRO   9  -7.369  -5.025  -2.161
   51    HD3  PRO   9           2HD      PRO   9  -7.996  -6.173  -3.393
   52    H    PHE  10           H        PHE  10  -4.842  -3.684  -2.911
   53    HA   PHE  10           HA       PHE  10  -2.305  -2.846  -4.270
   54    HB2  PHE  10           1HB      PHE  10  -4.142  -1.190  -2.547
   55    HB3  PHE  10           2HB      PHE  10  -2.775  -0.647  -3.488
   56    HD1  PHE  10           1HD      PHE  10  -2.780  -1.117  -6.048
   57    HD2  PHE  10           2HD      PHE  10  -6.304  -1.114  -3.574
   58    HE1  PHE  10           1HE      PHE  10  -4.188  -0.910  -8.064
   59    HE2  PHE  10           2HE      PHE  10  -7.728  -0.908  -5.607
   60    HZ   PHE  10           HZ       PHE  10  -6.673  -0.797  -7.857
   61    H    LYS  11           H        LYS  11  -1.013  -4.164  -3.406
   62    HA   LYS  11           HA       LYS  11  -0.343  -4.133  -0.513
   63    HB2  LYS  11           1HB      LYS  11  -0.393  -6.306  -1.504
   64    HB3  LYS  11           2HB      LYS  11   0.515  -5.772  -2.912
   65    HG2  LYS  11           1HG      LYS  11   1.878  -7.180  -1.539
   66    HG3  LYS  11           2HG      LYS  11   2.558  -5.564  -1.611
   67    HD2  LYS  11           1HD      LYS  11   1.841  -5.150   0.711
   68    HD3  LYS  11           2HD      LYS  11   0.907  -6.663   0.709
   69    HE2  LYS  11           1HE      LYS  11   2.951  -7.195   1.817
   70    HE3  LYS  11           2HE      LYS  11   3.060  -7.907   0.210
   71    HZ1  LYS  11           3HZ      LYS  11   4.327  -5.373   1.101
   72    HZ2  LYS  11           1HZ      LYS  11   4.346  -5.855  -0.443
   73    HZ3  LYS  11           2HZ      LYS  11   5.113  -6.757   0.701
   74    H    CYS  12           H        CYS  12   1.012  -2.814   0.244
   75    HA   CYS  12           HA       CYS  12   2.581  -0.823  -0.968
   76    HB2  CYS  12           1HB      CYS  12   1.894  -0.834   1.341
   77    HB3  CYS  12           2HB      CYS  12   2.783  -2.327   1.654
   78    H    SER  13           H        SER  13   4.673  -0.613  -1.551
   79    HA   SER  13           HA       SER  13   6.071  -2.985  -2.549
   80    HB2  SER  13           1HB      SER  13   6.868  -0.050  -2.624
   81    HB3  SER  13           2HB      SER  13   7.619  -1.368  -3.544
   82    HG   SER  13           HG       SER  13   6.080  -0.230  -4.802
   83    H    LEU  14           H        LEU  14   6.099  -1.419   0.436
   84    HA   LEU  14           HA       LEU  14   9.003  -1.996   0.986
   85    HB2  LEU  14           1HB      LEU  14   7.173   0.077   2.249
   86    HB3  LEU  14           2HB      LEU  14   8.899  -0.089   2.509
   87    HG   LEU  14           HG       LEU  14   7.638   0.642  -0.173
   88   HD11  LEU  14          1HD1      LEU  14   8.959   2.387   1.926
   89   HD12  LEU  14          2HD1      LEU  14   7.252   2.386   1.418
   90   HD13  LEU  14          3HD1      LEU  14   8.502   2.910   0.282
   91   HD21  LEU  14          3HD2      LEU  14   9.933   1.302  -0.804
   92   HD22  LEU  14          1HD2      LEU  14   9.844  -0.423  -0.435
   93   HD23  LEU  14          2HD2      LEU  14  10.540   0.700   0.756
   94    H    CYS  15           H        CYS  15   5.744  -2.031   2.346
   95    HA   CYS  15           HA       CYS  15   6.642  -3.954   4.448
   96    HB2  CYS  15           1HB      CYS  15   5.515  -2.840   6.146
   97    HB3  CYS  15           2HB      CYS  15   6.372  -1.597   5.280
   98    H    GLU  16           H        GLU  16   4.506  -4.723   5.637
   99    HA   GLU  16           HA       GLU  16   3.136  -6.307   3.565
  100    HB2  GLU  16           1HB      GLU  16   4.283  -7.173   5.747
  101    HB3  GLU  16           2HB      GLU  16   2.798  -6.669   6.556
  102    HG2  GLU  16           1HG      GLU  16   1.502  -8.228   5.107
  103    HG3  GLU  16           2HG      GLU  16   2.965  -8.610   4.200
  104    H    TYR  17           H        TYR  17   2.452  -3.352   4.485
  105    HA   TYR  17           HA       TYR  17  -0.365  -3.436   5.099
  106    HB2  TYR  17           1HB      TYR  17   1.046  -1.473   5.393
  107    HB3  TYR  17           2HB      TYR  17   1.408  -1.407   3.690
  108    HD1  TYR  17           1HD      TYR  17  -0.362  -0.714   2.051
  109    HD2  TYR  17           2HD      TYR  17  -1.062  -0.580   6.297
  110    HE1  TYR  17           1HE      TYR  17  -2.326   0.786   1.676
  111    HE2  TYR  17           2HE      TYR  17  -3.008   0.933   5.923
  112    HH   TYR  17           HH       TYR  17  -4.314   2.012   4.381
  113    H    ALA  18           H        ALA  18  -2.131  -3.699   3.886
  114    HA   ALA  18           HA       ALA  18  -2.001  -3.122   1.069
  115    HB1  ALA  18           1HB      ALA  18  -2.906  -5.225   0.253
  116    HB2  ALA  18           2HB      ALA  18  -1.387  -5.537   1.127
  117    HB3  ALA  18           3HB      ALA  18  -2.937  -5.884   1.917
  118    H    THR  19           H        THR  19  -3.981  -2.751   0.062
  119    HA   THR  19           HA       THR  19  -6.432  -2.582   1.749
  120    HB   THR  19           HB       THR  19  -5.145  -0.508   2.111
  121    HG1  THR  19           1HG      THR  19  -7.256  -0.185   2.213
  122   HG21  THR  19          3HG2      THR  19  -3.906  -0.450  -0.028
  123   HG22  THR  19          1HG2      THR  19  -4.692   1.048   0.410
  124   HG23  THR  19          2HG2      THR  19  -5.408   0.023  -0.857
  125    H    ARG  20           H        ARG  20  -8.309  -1.815   0.518
  126    HA   ARG  20           HA       ARG  20  -8.495  -3.176  -2.109
  127    HB2  ARG  20           1HB      ARG  20 -10.457  -2.429   0.052
  128    HB3  ARG  20           2HB      ARG  20 -11.053  -2.735  -1.574
  129    HG2  ARG  20           1HG      ARG  20  -9.216  -4.720  -0.201
  130    HG3  ARG  20           2HG      ARG  20 -10.963  -4.725   0.092
  131    HD2  ARG  20           1HD      ARG  20 -11.448  -5.059  -2.253
  132    HD3  ARG  20           2HD      ARG  20  -9.746  -4.919  -2.699
  133    HE   ARG  20           HE       ARG  20  -9.722  -7.014  -0.915
  134   HH11  ARG  20          2HH1      ARG  20 -11.690  -6.481  -3.773
  135   HH12  ARG  20          1HH1      ARG  20 -11.760  -8.182  -4.142
  136   HH21  ARG  20          2HH2      ARG  20  -9.712  -9.129  -1.548
  137   HH22  ARG  20          1HH2      ARG  20 -10.722  -9.647  -2.875
  138    H    SER  21           H        SER  21  -8.009  -0.021  -1.167
  139    HA   SER  21           HA       SER  21  -8.994   0.949  -3.833
  140    HB2  SER  21           1HB      SER  21  -9.079   2.495  -1.224
  141    HB3  SER  21           2HB      SER  21  -9.551   3.101  -2.814
  142    HG   SER  21           HG       SER  21 -11.232   1.573  -2.862
  143    H    LYS  22           H        LYS  22  -7.500   1.908  -5.066
  144    HA   LYS  22           HA       LYS  22  -4.758   1.953  -4.367
  145    HB2  LYS  22           1HB      LYS  22  -5.782   1.837  -6.662
  146    HB3  LYS  22           2HB      LYS  22  -6.140   3.558  -6.560
  147    HG2  LYS  22           1HG      LYS  22  -3.667   3.990  -6.258
  148    HG3  LYS  22           2HG      LYS  22  -3.374   2.258  -6.462
  149    HD2  LYS  22           1HD      LYS  22  -4.662   4.099  -8.530
  150    HD3  LYS  22           2HD      LYS  22  -2.962   3.614  -8.514
  151    HE2  LYS  22           1HE      LYS  22  -3.623   1.234  -8.743
  152    HE3  LYS  22           2HE      LYS  22  -5.328   1.708  -8.786
  153    HZ1  LYS  22           3HZ      LYS  22  -4.439   1.412 -11.027
  154    HZ2  LYS  22           1HZ      LYS  22  -3.282   2.533 -10.779
  155    HZ3  LYS  22           2HZ      LYS  22  -4.854   2.975 -10.817
  156    H    SER  23           H        SER  23  -7.166   4.503  -4.070
  157    HA   SER  23           HA       SER  23  -5.481   6.721  -3.453
  158    HB2  SER  23           1HB      SER  23  -7.584   7.599  -2.372
  159    HB3  SER  23           2HB      SER  23  -7.767   7.068  -4.053
  160    HG   SER  23           HG       SER  23  -9.455   6.283  -2.681
  161    H    ASN  24           H        ASN  24  -6.747   4.102  -1.371
  162    HA   ASN  24           HA       ASN  24  -5.841   5.280   1.135
  163    HB2  ASN  24           1HB      ASN  24  -6.530   2.421   0.343
  164    HB3  ASN  24           2HB      ASN  24  -6.116   2.912   1.974
  165   HD21  ASN  24          1HD2      ASN  24  -8.430   1.608   1.433
  166   HD22  ASN  24          2HD2      ASN  24  -9.787   2.705   1.703
  167    H    LEU  25           H        LEU  25  -4.463   2.727  -1.046
  168    HA   LEU  25           HA       LEU  25  -2.065   2.488   0.413
  169    HB2  LEU  25           1HB      LEU  25  -2.687   0.836  -1.299
  170    HB3  LEU  25           2HB      LEU  25  -2.488   2.037  -2.571
  171    HG   LEU  25           HG       LEU  25  -0.132   2.221  -2.095
  172   HD11  LEU  25          1HD1      LEU  25  -0.500   0.116   0.056
  173   HD12  LEU  25          2HD1      LEU  25  -0.056   1.819   0.338
  174   HD13  LEU  25          3HD1      LEU  25   1.057   0.758  -0.501
  175   HD21  LEU  25          3HD2      LEU  25  -0.797   0.454  -3.651
  176   HD22  LEU  25          1HD2      LEU  25  -0.817  -0.704  -2.291
  177   HD23  LEU  25          2HD2      LEU  25   0.700   0.063  -2.782
  178    H    LYS  26           H        LYS  26  -2.730   4.615  -2.367
  179    HA   LYS  26           HA       LYS  26  -0.272   5.967  -2.563
  180    HB2  LYS  26           1HB      LYS  26  -2.127   6.234  -4.103
  181    HB3  LYS  26           2HB      LYS  26  -3.120   7.016  -2.891
  182    HG2  LYS  26           1HG      LYS  26  -0.457   8.207  -3.751
  183    HG3  LYS  26           2HG      LYS  26  -1.886   8.393  -4.757
  184    HD2  LYS  26           1HD      LYS  26  -1.596   9.459  -1.916
  185    HD3  LYS  26           2HD      LYS  26  -1.520  10.373  -3.417
  186    HE2  LYS  26           1HE      LYS  26  -3.876   9.665  -3.934
  187    HE3  LYS  26           2HE      LYS  26  -3.956   8.872  -2.352
  188    HZ1  LYS  26           3HZ      LYS  26  -3.485  11.775  -2.783
  189    HZ2  LYS  26           1HZ      LYS  26  -3.551  11.049  -1.320
  190    HZ3  LYS  26           2HZ      LYS  26  -4.879  11.114  -2.264
  191    H    ALA  27           H        ALA  27  -2.804   6.495  -0.134
  192    HA   ALA  27           HA       ALA  27  -1.506   8.821   1.066
  193    HB1  ALA  27           1HB      ALA  27  -3.244   8.566   2.781
  194    HB2  ALA  27           2HB      ALA  27  -3.957   8.433   1.160
  195    HB3  ALA  27           3HB      ALA  27  -3.685   6.974   2.137
  196    H    HIS  28           H        HIS  28  -1.582   5.307   1.754
  197    HA   HIS  28           HA       HIS  28   0.032   5.344   4.123
  198    HB2  HIS  28           1HB      HIS  28  -1.331   3.480   3.663
  199    HB3  HIS  28           2HB      HIS  28  -0.648   3.250   2.061
  200    HD1  HIS  28           1HD      HIS  28   0.208   2.602   5.724
  201    HD2  HIS  28           2HD      HIS  28   1.724   2.067   1.836
  202    HE1  HIS  28           1HE      HIS  28   2.204   1.063   5.976
  203    H    MET  29           H        MET  29   0.954   5.004   0.642
  204    HA   MET  29           HA       MET  29   3.759   4.718   1.112
  205    HB2  MET  29           1HB      MET  29   2.319   5.854  -1.321
  206    HB3  MET  29           2HB      MET  29   4.004   5.332  -1.267
  207    HG2  MET  29           1HG      MET  29   1.532   3.608  -0.971
  208    HG3  MET  29           2HG      MET  29   2.684   3.571  -2.266
  209    HE1  MET  29           3HE      MET  29   5.052   2.514  -2.122
  210    HE2  MET  29           1HE      MET  29   5.514   3.535  -0.731
  211    HE3  MET  29           2HE      MET  29   5.731   1.766  -0.656
  212    H    ASN  30           H        ASN  30   1.766   7.601   1.055
  213    HA   ASN  30           HA       ASN  30   3.998   9.479   1.053
  214    HB2  ASN  30           1HB      ASN  30   1.024   9.693   1.539
  215    HB3  ASN  30           2HB      ASN  30   2.084  10.987   2.075
  216   HD21  ASN  30          1HD2      ASN  30   1.050   9.184  -0.851
  217   HD22  ASN  30          2HD2      ASN  30   1.559  10.468  -1.942
  218    H    ARG  31           H        ARG  31   2.611   7.457   3.577
  219    HA   ARG  31           HA       ARG  31   3.848   8.959   5.787
  220    HB2  ARG  31           1HB      ARG  31   2.908   6.070   5.768
  221    HB3  ARG  31           2HB      ARG  31   3.323   7.048   7.166
  222    HG2  ARG  31           1HG      ARG  31   1.450   8.637   6.600
  223    HG3  ARG  31           2HG      ARG  31   0.991   7.562   5.275
  224    HD2  ARG  31           1HD      ARG  31  -0.445   7.070   7.100
  225    HD3  ARG  31           2HD      ARG  31   0.677   5.708   6.918
  226    HE   ARG  31           HE       ARG  31   1.746   7.570   8.814
  227   HH11  ARG  31          2HH1      ARG  31  -0.900   5.278   8.655
  228   HH12  ARG  31          1HH1      ARG  31  -0.903   5.026  10.380
  229   HH21  ARG  31          2HH2      ARG  31   1.690   7.197  11.003
  230   HH22  ARG  31          1HH2      ARG  31   0.524   6.091  11.668
  231    H    HIS  32           H        HIS  32   4.815   6.269   3.681
  232    HA   HIS  32           HA       HIS  32   7.343   5.793   5.023
  233    HB2  HIS  32           1HB      HIS  32   6.313   5.121   2.239
  234    HB3  HIS  32           2HB      HIS  32   7.921   4.698   2.793
  235    HD1  HIS  32           1HD      HIS  32   7.873   3.119   5.206
  236    HD2  HIS  32           2HD      HIS  32   4.693   3.133   2.467
  237    HE1  HIS  32           1HE      HIS  32   6.690   0.898   5.519
  238    H    SER  33           H        SER  33   6.268   8.197   2.738
  239    HA   SER  33           HA       SER  33   8.830   8.877   1.616
  240    HB2  SER  33           1HB      SER  33   6.520   9.128   0.588
  241    HB3  SER  33           2HB      SER  33   6.326  10.584   1.571
  242    HG   SER  33           HG       SER  33   8.255  10.035  -0.467
  243    H    THR  34           H        THR  34   9.705   8.910   3.877
  244    HA   THR  34           HA       THR  34  10.213  11.697   4.761
  245    HB   THR  34           HB       THR  34   8.267  10.990   6.056
  246    HG1  THR  34           1HG      THR  34   9.125  11.429   8.067
  247   HG21  THR  34          3HG2      THR  34   8.641   8.529   6.097
  248   HG22  THR  34          1HG2      THR  34   8.337   9.207   7.699
  249   HG23  THR  34          2HG2      THR  34   9.993   8.766   7.230
  250    H    GLU  35           H        GLU  35  11.106   8.255   4.822
  251    HA   GLU  35           HA       GLU  35  13.660   8.766   6.134
  252    HB2  GLU  35           1HB      GLU  35  12.146   6.723   6.376
  253    HB3  GLU  35           2HB      GLU  35  12.713   6.213   4.785
  254    HG2  GLU  35           1HG      GLU  35  15.015   6.037   5.646
  255    HG3  GLU  35           2HG      GLU  35  14.529   6.770   7.178
  256    H    LYS  36           H        LYS  36  12.710   9.472   3.150
  257    HA   LYS  36           HA       LYS  36  15.381   9.136   1.841
  258    HB2  LYS  36           1HB      LYS  36  12.635   8.830   0.550
  259    HB3  LYS  36           2HB      LYS  36  14.154   8.874  -0.326
  260    HG2  LYS  36           1HG      LYS  36  13.277   6.735   1.665
  261    HG3  LYS  36           2HG      LYS  36  13.307   6.586  -0.084
  262    HD2  LYS  36           1HD      LYS  36  15.744   6.879   1.724
  263    HD3  LYS  36           2HD      LYS  36  15.187   5.409   0.927
  264    HE2  LYS  36           1HE      LYS  36  15.541   6.483  -1.296
  265    HE3  LYS  36           2HE      LYS  36  16.139   7.938  -0.488
  266    HZ1  LYS  36           3HZ      LYS  36  17.967   6.502  -1.174
  267    HZ2  LYS  36           1HZ      LYS  36  17.395   5.251  -0.299
  268    HZ3  LYS  36           2HZ      LYS  36  17.943   6.595   0.452
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1   5.728 -14.635 -11.239
    2    H2   GLY   1           2H       GLY   1   4.160 -14.468 -11.679
    3    H3   GLY   1           3H       GLY   1   5.346 -14.323 -12.803
    4    HA2  GLY   1           1HA      GLY   1   4.285 -16.459 -13.054
    5    HA3  GLY   1           2HA      GLY   1   5.969 -16.642 -12.527
    6    H    SER   2           H        SER   2   3.159 -18.064 -12.068
    7    HA   SER   2           HA       SER   2   1.925 -19.026 -10.431
    8    HB2  SER   2           1HB      SER   2   4.586 -19.309  -9.003
    9    HB3  SER   2           2HB      SER   2   3.112 -20.243  -8.684
   10    HG   SER   2           HG       SER   2   4.566 -21.346 -10.089
   11    H    SER   3           H        SER   3   1.876 -16.233 -10.340
   12    HA   SER   3           HA       SER   3   2.391 -15.123  -7.783
   13    HB2  SER   3           1HB      SER   3   0.539 -14.027  -9.922
   14    HB3  SER   3           2HB      SER   3   1.425 -13.118  -8.687
   15    HG   SER   3           HG       SER   3   2.490 -13.011 -10.682
   16    H    GLY   4           H        GLY   4  -0.444 -16.811  -8.894
   17    HA2  GLY   4           1HA      GLY   4  -2.381 -17.429  -7.791
   18    HA3  GLY   4           2HA      GLY   4  -1.787 -16.647  -6.331
   19    H    SER   5           H        SER   5  -4.300 -16.402  -6.510
   20    HA   SER   5           HA       SER   5  -4.987 -13.716  -7.642
   21    HB2  SER   5           1HB      SER   5  -7.235 -14.625  -8.066
   22    HB3  SER   5           2HB      SER   5  -5.976 -15.502  -8.949
   23    HG   SER   5           HG       SER   5  -7.474 -16.925  -7.928
   24    H    SER   6           H        SER   6  -4.507 -15.171  -4.721
   25    HA   SER   6           HA       SER   6  -6.861 -14.116  -3.300
   26    HB2  SER   6           1HB      SER   6  -5.781 -16.352  -2.831
   27    HB3  SER   6           2HB      SER   6  -4.419 -15.466  -2.117
   28    HG   SER   6           HG       SER   6  -6.048 -16.088  -0.579
   29    H    GLY   7           H        GLY   7  -6.427 -12.983  -1.178
   30    HA2  GLY   7           1HA      GLY   7  -5.577 -11.239   0.097
   31    HA3  GLY   7           2HA      GLY   7  -4.174 -11.154  -0.957
   32    H    LYS   8           H        LYS   8  -4.632  -8.852  -0.313
   33    HA   LYS   8           HA       LYS   8  -6.862  -7.444  -1.574
   34    HB2  LYS   8           1HB      LYS   8  -4.563  -6.703   0.229
   35    HB3  LYS   8           2HB      LYS   8  -5.385  -5.428  -0.655
   36    HG2  LYS   8           1HG      LYS   8  -6.343  -5.555   1.514
   37    HG3  LYS   8           2HG      LYS   8  -7.549  -6.095   0.344
   38    HD2  LYS   8           1HD      LYS   8  -7.176  -8.437   0.976
   39    HD3  LYS   8           2HD      LYS   8  -5.824  -7.964   2.036
   40    HE2  LYS   8           1HE      LYS   8  -7.389  -6.616   3.411
   41    HE3  LYS   8           2HE      LYS   8  -8.730  -7.086   2.358
   42    HZ1  LYS   8           3HZ      LYS   8  -7.113  -8.969   3.998
   43    HZ2  LYS   8           1HZ      LYS   8  -8.356  -9.403   3.026
   44    HZ3  LYS   8           2HZ      LYS   8  -8.630  -8.482   4.342
   45    HA   PRO   9           HA       PRO   9  -5.034  -6.398  -5.410
   46    HB2  PRO   9           1HB      PRO   9  -6.188  -4.005  -6.056
   47    HB3  PRO   9           2HB      PRO   9  -7.079  -5.557  -6.003
   48    HG2  PRO   9           1HG      PRO   9  -6.833  -3.495  -3.784
   49    HG3  PRO   9           2HG      PRO   9  -8.344  -4.199  -4.465
   50    HD2  PRO   9           1HD      PRO   9  -7.232  -5.186  -2.217
   51    HD3  PRO   9           2HD      PRO   9  -7.854  -6.315  -3.462
   52    H    PHE  10           H        PHE  10  -4.812  -3.719  -2.992
   53    HA   PHE  10           HA       PHE  10  -2.270  -2.791  -4.286
   54    HB2  PHE  10           1HB      PHE  10  -4.163  -1.171  -2.594
   55    HB3  PHE  10           2HB      PHE  10  -2.782  -0.608  -3.497
   56    HD1  PHE  10           1HD      PHE  10  -2.735  -0.965  -6.055
   57    HD2  PHE  10           2HD      PHE  10  -6.312  -1.180  -3.669
   58    HE1  PHE  10           1HE      PHE  10  -4.103  -0.737  -8.098
   59    HE2  PHE  10           2HE      PHE  10  -7.696  -0.948  -5.723
   60    HZ   PHE  10           HZ       PHE  10  -6.596  -0.724  -7.945
   61    H    LYS  11           H        LYS  11  -0.986  -4.107  -3.385
   62    HA   LYS  11           HA       LYS  11  -0.528  -4.126  -0.441
   63    HB2  LYS  11           1HB      LYS  11  -0.792  -6.245  -1.819
   64    HB3  LYS  11           2HB      LYS  11   0.719  -5.852  -2.620
   65    HG2  LYS  11           1HG      LYS  11   0.334  -6.466   0.349
   66    HG3  LYS  11           2HG      LYS  11   0.973  -7.550  -0.884
   67    HD2  LYS  11           1HD      LYS  11   2.802  -5.756  -1.264
   68    HD3  LYS  11           2HD      LYS  11   2.252  -5.087   0.295
   69    HE2  LYS  11           1HE      LYS  11   2.706  -7.244   1.390
   70    HE3  LYS  11           2HE      LYS  11   3.239  -7.927  -0.157
   71    HZ1  LYS  11           3HZ      LYS  11   5.137  -7.121   1.145
   72    HZ2  LYS  11           1HZ      LYS  11   4.492  -5.608   1.214
   73    HZ3  LYS  11           2HZ      LYS  11   4.987  -6.215  -0.214
   74    H    CYS  12           H        CYS  12   0.872  -2.807   0.334
   75    HA   CYS  12           HA       CYS  12   2.461  -0.873  -0.898
   76    HB2  CYS  12           1HB      CYS  12   1.729  -0.903   1.427
   77    HB3  CYS  12           2HB      CYS  12   2.734  -2.321   1.754
   78    H    SER  13           H        SER  13   4.438  -0.772  -1.814
   79    HA   SER  13           HA       SER  13   5.870  -3.229  -2.455
   80    HB2  SER  13           1HB      SER  13   7.354  -1.722  -3.742
   81    HB3  SER  13           2HB      SER  13   5.639  -1.529  -4.138
   82    HG   SER  13           HG       SER  13   6.709   0.489  -3.867
   83    H    LEU  14           H        LEU  14   5.895  -1.434   0.304
   84    HA   LEU  14           HA       LEU  14   8.829  -1.727   0.858
   85    HB2  LEU  14           1HB      LEU  14   6.818   0.213   2.048
   86    HB3  LEU  14           2HB      LEU  14   8.551   0.241   2.268
   87    HG   LEU  14           HG       LEU  14   7.192   0.655  -0.441
   88   HD11  LEU  14          1HD1      LEU  14   7.642   3.023  -0.193
   89   HD12  LEU  14          2HD1      LEU  14   8.266   2.745   1.457
   90   HD13  LEU  14          3HD1      LEU  14   6.554   2.434   1.058
   91   HD21  LEU  14          3HD2      LEU  14   9.381   1.570  -1.117
   92   HD22  LEU  14          1HD2      LEU  14   9.522  -0.119  -0.613
   93   HD23  LEU  14          2HD2      LEU  14  10.046   1.178   0.488
   94    H    CYS  15           H        CYS  15   5.594  -2.040   2.238
   95    HA   CYS  15           HA       CYS  15   6.649  -3.858   4.357
   96    HB2  CYS  15           1HB      CYS  15   5.617  -2.727   6.088
   97    HB3  CYS  15           2HB      CYS  15   6.337  -1.462   5.123
   98    H    GLU  16           H        GLU  16   4.475  -4.529   5.698
   99    HA   GLU  16           HA       GLU  16   3.084  -6.287   3.773
  100    HB2  GLU  16           1HB      GLU  16   4.313  -7.005   5.964
  101    HB3  GLU  16           2HB      GLU  16   2.858  -6.447   6.790
  102    HG2  GLU  16           1HG      GLU  16   1.513  -8.103   5.506
  103    HG3  GLU  16           2HG      GLU  16   2.939  -8.544   4.567
  104    H    TYR  17           H        TYR  17   2.424  -3.285   4.558
  105    HA   TYR  17           HA       TYR  17  -0.400  -3.379   5.207
  106    HB2  TYR  17           1HB      TYR  17   0.981  -1.399   5.457
  107    HB3  TYR  17           2HB      TYR  17   1.324  -1.359   3.747
  108    HD1  TYR  17           1HD      TYR  17  -0.453  -0.721   2.107
  109    HD2  TYR  17           2HD      TYR  17  -1.127  -0.494   6.353
  110    HE1  TYR  17           1HE      TYR  17  -2.405   0.792   1.715
  111    HE2  TYR  17           2HE      TYR  17  -3.069   1.016   5.959
  112    HH   TYR  17           HH       TYR  17  -4.386   2.062   4.402
  113    H    ALA  18           H        ALA  18  -2.194  -3.531   3.965
  114    HA   ALA  18           HA       ALA  18  -2.019  -3.096   1.122
  115    HB1  ALA  18           1HB      ALA  18  -2.900  -5.186   0.360
  116    HB2  ALA  18           2HB      ALA  18  -1.491  -5.557   1.383
  117    HB3  ALA  18           3HB      ALA  18  -3.126  -5.776   2.035
  118    H    THR  19           H        THR  19  -4.005  -2.739   0.083
  119    HA   THR  19           HA       THR  19  -6.476  -2.534   1.730
  120    HB   THR  19           HB       THR  19  -5.361  -0.408   2.071
  121    HG1  THR  19           1HG      THR  19  -7.075   0.732   1.637
  122   HG21  THR  19          3HG2      THR  19  -5.305  -0.065  -0.941
  123   HG22  THR  19          1HG2      THR  19  -3.891  -0.325   0.110
  124   HG23  THR  19          2HG2      THR  19  -4.869   1.122   0.301
  125    H    ARG  20           H        ARG  20  -8.355  -1.981   0.497
  126    HA   ARG  20           HA       ARG  20  -8.506  -3.294  -2.152
  127    HB2  ARG  20           1HB      ARG  20 -10.548  -2.279  -0.158
  128    HB3  ARG  20           2HB      ARG  20 -11.019  -2.753  -1.782
  129    HG2  ARG  20           1HG      ARG  20  -9.496  -4.616   0.087
  130    HG3  ARG  20           2HG      ARG  20 -11.250  -4.536   0.045
  131    HD2  ARG  20           1HD      ARG  20  -9.542  -5.207  -2.386
  132    HD3  ARG  20           2HD      ARG  20 -10.268  -6.401  -1.306
  133    HE   ARG  20           HE       ARG  20 -12.315  -4.627  -2.191
  134   HH11  ARG  20          2HH1      ARG  20 -10.363  -7.224  -3.516
  135   HH12  ARG  20          1HH1      ARG  20 -11.526  -7.572  -4.765
  136   HH21  ARG  20          2HH2      ARG  20 -13.751  -5.139  -3.800
  137   HH22  ARG  20          1HH2      ARG  20 -13.395  -6.432  -4.905
  138    H    SER  21           H        SER  21  -7.987  -0.115  -1.070
  139    HA   SER  21           HA       SER  21  -8.959   0.993  -3.692
  140    HB2  SER  21           1HB      SER  21  -9.007   2.311  -0.961
  141    HB3  SER  21           2HB      SER  21  -9.459   3.079  -2.498
  142    HG   SER  21           HG       SER  21 -11.284   2.245  -1.366
  143    H    LYS  22           H        LYS  22  -7.444   1.826  -4.946
  144    HA   LYS  22           HA       LYS  22  -4.705   2.037  -4.311
  145    HB2  LYS  22           1HB      LYS  22  -5.790   1.880  -6.586
  146    HB3  LYS  22           2HB      LYS  22  -6.212   3.588  -6.465
  147    HG2  LYS  22           1HG      LYS  22  -3.745   4.107  -6.207
  148    HG3  LYS  22           2HG      LYS  22  -3.398   2.392  -6.462
  149    HD2  LYS  22           1HD      LYS  22  -4.808   4.243  -8.443
  150    HD3  LYS  22           2HD      LYS  22  -3.093   3.808  -8.490
  151    HE2  LYS  22           1HE      LYS  22  -3.693   1.418  -8.768
  152    HE3  LYS  22           2HE      LYS  22  -5.411   1.839  -8.742
  153    HZ1  LYS  22           3HZ      LYS  22  -5.044   3.175 -10.751
  154    HZ2  LYS  22           1HZ      LYS  22  -4.589   1.631 -11.017
  155    HZ3  LYS  22           2HZ      LYS  22  -3.459   2.781 -10.776
  156    H    SER  23           H        SER  23  -7.219   4.501  -4.063
  157    HA   SER  23           HA       SER  23  -5.703   6.829  -3.511
  158    HB2  SER  23           1HB      SER  23  -7.795   7.578  -2.381
  159    HB3  SER  23           2HB      SER  23  -8.101   6.844  -3.966
  160    HG   SER  23           HG       SER  23  -9.549   6.022  -2.426
  161    H    ASN  24           H        ASN  24  -6.550   4.112  -1.405
  162    HA   ASN  24           HA       ASN  24  -5.685   5.501   1.053
  163    HB2  ASN  24           1HB      ASN  24  -6.911   2.791   0.431
  164    HB3  ASN  24           2HB      ASN  24  -6.206   3.157   2.004
  165   HD21  ASN  24          1HD2      ASN  24  -8.473   4.881  -0.307
  166   HD22  ASN  24          2HD2      ASN  24  -9.584   5.283   0.988
  167    H    LEU  25           H        LEU  25  -4.467   2.803  -1.051
  168    HA   LEU  25           HA       LEU  25  -2.078   2.501   0.443
  169    HB2  LEU  25           1HB      LEU  25  -2.666   0.841  -1.242
  170    HB3  LEU  25           2HB      LEU  25  -2.500   2.024  -2.538
  171    HG   LEU  25           HG       LEU  25  -0.136   2.218  -2.080
  172   HD11  LEU  25          1HD1      LEU  25   1.053   0.797  -0.448
  173   HD12  LEU  25          2HD1      LEU  25  -0.505   0.145   0.105
  174   HD13  LEU  25          3HD1      LEU  25  -0.081   1.853   0.371
  175   HD21  LEU  25          3HD2      LEU  25  -0.834  -0.706  -2.232
  176   HD22  LEU  25          1HD2      LEU  25   0.699   0.042  -2.715
  177   HD23  LEU  25          2HD2      LEU  25  -0.781   0.438  -3.607
  178    H    LYS  26           H        LYS  26  -2.726   4.624  -2.331
  179    HA   LYS  26           HA       LYS  26  -0.271   5.972  -2.603
  180    HB2  LYS  26           1HB      LYS  26  -2.301   6.331  -3.999
  181    HB3  LYS  26           2HB      LYS  26  -3.109   7.088  -2.632
  182    HG2  LYS  26           1HG      LYS  26  -1.102   8.833  -2.741
  183    HG3  LYS  26           2HG      LYS  26  -0.849   8.139  -4.344
  184    HD2  LYS  26           1HD      LYS  26  -2.258  10.006  -4.681
  185    HD3  LYS  26           2HD      LYS  26  -3.350   8.604  -4.760
  186    HE2  LYS  26           1HE      LYS  26  -4.050   9.002  -2.420
  187    HE3  LYS  26           2HE      LYS  26  -2.896  10.334  -2.283
  188    HZ1  LYS  26           3HZ      LYS  26  -5.211  10.295  -4.150
  189    HZ2  LYS  26           1HZ      LYS  26  -4.146  11.522  -3.996
  190    HZ3  LYS  26           2HZ      LYS  26  -5.137  11.145  -2.758
  191    H    ALA  27           H        ALA  27  -2.806   6.574  -0.220
  192    HA   ALA  27           HA       ALA  27  -1.511   8.826   1.081
  193    HB1  ALA  27           1HB      ALA  27  -3.298   8.581   2.739
  194    HB2  ALA  27           2HB      ALA  27  -3.960   8.466   1.096
  195    HB3  ALA  27           3HB      ALA  27  -3.740   6.997   2.074
  196    H    HIS  28           H        HIS  28  -1.580   5.307   1.742
  197    HA   HIS  28           HA       HIS  28  -0.009   5.380   4.156
  198    HB2  HIS  28           1HB      HIS  28  -1.415   3.537   3.731
  199    HB3  HIS  28           2HB      HIS  28  -0.720   3.248   2.141
  200    HD1  HIS  28           1HD      HIS  28   0.129   2.738   5.845
  201    HD2  HIS  28           2HD      HIS  28   1.597   1.960   1.983
  202    HE1  HIS  28           1HE      HIS  28   2.105   1.178   6.158
  203    H    MET  29           H        MET  29   0.874   5.022   0.695
  204    HA   MET  29           HA       MET  29   3.672   4.564   1.052
  205    HB2  MET  29           1HB      MET  29   2.226   5.905  -1.260
  206    HB3  MET  29           2HB      MET  29   3.860   5.257  -1.315
  207    HG2  MET  29           1HG      MET  29   1.863   3.236  -0.433
  208    HG3  MET  29           2HG      MET  29   1.499   3.966  -1.957
  209    HE1  MET  29           3HE      MET  29   5.091   3.131  -0.577
  210    HE2  MET  29           1HE      MET  29   3.922   1.938   0.029
  211    HE3  MET  29           2HE      MET  29   5.180   1.437  -1.126
  212    H    ASN  30           H        ASN  30   1.800   7.593   0.957
  213    HA   ASN  30           HA       ASN  30   4.063   9.372   0.928
  214    HB2  ASN  30           1HB      ASN  30   1.138   9.635   1.639
  215    HB3  ASN  30           2HB      ASN  30   2.259  10.899   2.127
  216   HD21  ASN  30          1HD2      ASN  30   1.066   9.143  -0.787
  217   HD22  ASN  30          2HD2      ASN  30   1.501  10.463  -1.868
  218    H    ARG  31           H        ARG  31   2.563   7.563   3.609
  219    HA   ARG  31           HA       ARG  31   3.946   8.966   5.743
  220    HB2  ARG  31           1HB      ARG  31   2.990   6.075   5.762
  221    HB3  ARG  31           2HB      ARG  31   3.337   7.094   7.154
  222    HG2  ARG  31           1HG      ARG  31   1.448   8.591   6.567
  223    HG3  ARG  31           2HG      ARG  31   1.080   7.568   5.166
  224    HD2  ARG  31           1HD      ARG  31   0.753   5.625   6.696
  225    HD3  ARG  31           2HD      ARG  31   0.992   6.717   8.078
  226    HE   ARG  31           HE       ARG  31  -1.033   7.799   6.382
  227   HH11  ARG  31          2HH1      ARG  31  -0.667   5.126   8.619
  228   HH12  ARG  31          1HH1      ARG  31  -2.375   5.053   8.954
  229   HH21  ARG  31          2HH2      ARG  31  -3.200   7.662   6.871
  230   HH22  ARG  31          1HH2      ARG  31  -3.764   6.456   7.988
  231    H    HIS  32           H        HIS  32   4.863   6.261   3.655
  232    HA   HIS  32           HA       HIS  32   7.409   5.775   5.010
  233    HB2  HIS  32           1HB      HIS  32   6.381   5.034   2.241
  234    HB3  HIS  32           2HB      HIS  32   7.958   4.594   2.858
  235    HD1  HIS  32           1HD      HIS  32   7.865   2.996   5.201
  236    HD2  HIS  32           2HD      HIS  32   4.597   3.177   2.565
  237    HE1  HIS  32           1HE      HIS  32   6.576   0.844   5.558
  238    H    SER  33           H        SER  33   6.290   7.846   2.348
  239    HA   SER  33           HA       SER  33   8.893   8.517   1.348
  240    HB2  SER  33           1HB      SER  33   6.739   8.511   0.069
  241    HB3  SER  33           2HB      SER  33   6.276   9.995   0.927
  242    HG   SER  33           HG       SER  33   7.283  10.387  -1.125
  243    H    THR  34           H        THR  34   6.728  10.266   3.650
  244    HA   THR  34           HA       THR  34   8.306  12.677   3.624
  245    HB   THR  34           HB       THR  34   7.026  13.281   5.687
  246    HG1  THR  34           1HG      THR  34   5.287  11.935   6.220
  247   HG21  THR  34          3HG2      THR  34   4.862  13.513   4.554
  248   HG22  THR  34          1HG2      THR  34   5.357  12.333   3.321
  249   HG23  THR  34          2HG2      THR  34   6.198  13.889   3.455
  250    H    GLU  35           H        GLU  35   9.635  13.595   5.156
  251    HA   GLU  35           HA       GLU  35  11.307  11.682   6.680
  252    HB2  GLU  35           1HB      GLU  35  13.026  13.363   6.567
  253    HB3  GLU  35           2HB      GLU  35  12.363  13.050   4.965
  254    HG2  GLU  35           1HG      GLU  35  10.990  15.125   5.122
  255    HG3  GLU  35           2HG      GLU  35  11.649  15.441   6.727
  256    H    LYS  36           H        LYS  36   8.684  13.206   7.555
  257    HA   LYS  36           HA       LYS  36   9.427  14.814   9.850
  258    HB2  LYS  36           1HB      LYS  36   6.752  13.633   8.992
  259    HB3  LYS  36           2HB      LYS  36   6.982  14.783  10.313
  260    HG2  LYS  36           1HG      LYS  36   7.906  16.450   8.722
  261    HG3  LYS  36           2HG      LYS  36   7.636  15.322   7.379
  262    HD2  LYS  36           1HD      LYS  36   5.207  15.283   7.904
  263    HD3  LYS  36           2HD      LYS  36   5.459  16.460   9.198
  264    HE2  LYS  36           1HE      LYS  36   6.108  16.924   6.245
  265    HE3  LYS  36           2HE      LYS  36   4.605  17.416   7.027
  266    HZ1  LYS  36           3HZ      LYS  36   6.159  19.254   6.957
  267    HZ2  LYS  36           1HZ      LYS  36   7.302  18.419   7.766
  268    HZ3  LYS  36           2HZ      LYS  36   5.909  18.843   8.514
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1  -3.682 -16.039  -2.972
    2    H2   GLY   1           2H       GLY   1  -4.039 -17.587  -3.368
    3    H3   GLY   1           3H       GLY   1  -2.841 -16.796  -4.156
    4    HA2  GLY   1           1HA      GLY   1  -1.899 -18.354  -2.583
    5    HA3  GLY   1           2HA      GLY   1  -1.499 -16.676  -2.175
    6    H    SER   2           H        SER   2  -2.018 -19.346  -0.622
    7    HA   SER   2           HA       SER   2  -4.216 -18.606   1.191
    8    HB2  SER   2           1HB      SER   2  -3.807 -20.865   2.126
    9    HB3  SER   2           2HB      SER   2  -4.128 -20.865   0.386
   10    HG   SER   2           HG       SER   2  -2.334 -22.201   0.950
   11    H    SER   3           H        SER   3  -0.996 -17.771   1.159
   12    HA   SER   3           HA       SER   3  -0.210 -18.288   3.850
   13    HB2  SER   3           1HB      SER   3   1.019 -16.338   1.877
   14    HB3  SER   3           2HB      SER   3   1.804 -17.074   3.288
   15    HG   SER   3           HG       SER   3   2.338 -18.170   1.350
   16    H    GLY   4           H        GLY   4  -2.698 -16.685   3.790
   17    HA2  GLY   4           1HA      GLY   4  -2.280 -14.908   5.939
   18    HA3  GLY   4           2HA      GLY   4  -2.252 -13.936   4.465
   19    H    SER   5           H        SER   5  -4.127 -12.996   5.715
   20    HA   SER   5           HA       SER   5  -6.661 -14.403   5.799
   21    HB2  SER   5           1HB      SER   5  -7.499 -12.190   6.606
   22    HB3  SER   5           2HB      SER   5  -6.147 -12.862   7.528
   23    HG   SER   5           HG       SER   5  -5.742 -10.695   7.147
   24    H    SER   6           H        SER   6  -6.158 -14.841   3.355
   25    HA   SER   6           HA       SER   6  -6.674 -14.688   1.167
   26    HB2  SER   6           1HB      SER   6  -8.877 -12.764   1.975
   27    HB3  SER   6           2HB      SER   6  -8.692 -13.534   0.397
   28    HG   SER   6           HG       SER   6  -9.065 -14.864   2.891
   29    H    GLY   7           H        GLY   7  -6.788 -13.240  -0.805
   30    HA2  GLY   7           1HA      GLY   7  -4.506 -11.455  -0.736
   31    HA3  GLY   7           2HA      GLY   7  -5.487 -11.860  -2.139
   32    H    LYS   8           H        LYS   8  -4.412  -9.341  -1.572
   33    HA   LYS   8           HA       LYS   8  -6.854  -7.633  -1.529
   34    HB2  LYS   8           1HB      LYS   8  -4.227  -6.986  -0.124
   35    HB3  LYS   8           2HB      LYS   8  -5.532  -5.841  -0.410
   36    HG2  LYS   8           1HG      LYS   8  -6.050  -6.388   1.725
   37    HG3  LYS   8           2HG      LYS   8  -7.004  -7.624   0.901
   38    HD2  LYS   8           1HD      LYS   8  -5.058  -9.225   1.258
   39    HD3  LYS   8           2HD      LYS   8  -4.227  -7.952   2.155
   40    HE2  LYS   8           1HE      LYS   8  -5.996  -7.919   3.843
   41    HE3  LYS   8           2HE      LYS   8  -6.977  -9.043   2.886
   42    HZ1  LYS   8           3HZ      LYS   8  -4.330  -9.709   4.056
   43    HZ2  LYS   8           1HZ      LYS   8  -5.272 -10.713   3.153
   44    HZ3  LYS   8           2HZ      LYS   8  -5.770 -10.233   4.630
   45    HA   PRO   9           HA       PRO   9  -5.138  -6.463  -5.371
   46    HB2  PRO   9           1HB      PRO   9  -6.376  -4.098  -5.958
   47    HB3  PRO   9           2HB      PRO   9  -7.231  -5.670  -5.874
   48    HG2  PRO   9           1HG      PRO   9  -6.959  -3.593  -3.677
   49    HG3  PRO   9           2HG      PRO   9  -8.468  -4.356  -4.287
   50    HD2  PRO   9           1HD      PRO   9  -7.199  -5.275  -2.070
   51    HD3  PRO   9           2HD      PRO   9  -7.899  -6.429  -3.248
   52    H    PHE  10           H        PHE  10  -4.864  -3.833  -2.905
   53    HA   PHE  10           HA       PHE  10  -2.345  -2.902  -4.243
   54    HB2  PHE  10           1HB      PHE  10  -4.195  -1.231  -2.555
   55    HB3  PHE  10           2HB      PHE  10  -2.837  -0.712  -3.514
   56    HD1  PHE  10           1HD      PHE  10  -2.853  -1.081  -6.047
   57    HD2  PHE  10           2HD      PHE  10  -6.381  -1.291  -3.586
   58    HE1  PHE  10           1HE      PHE  10  -4.259  -0.867  -8.063
   59    HE2  PHE  10           2HE      PHE  10  -7.808  -1.097  -5.614
   60    HZ   PHE  10           HZ       PHE  10  -6.751  -0.893  -7.865
   61    H    LYS  11           H        LYS  11  -1.084  -4.232  -3.336
   62    HA   LYS  11           HA       LYS  11  -0.468  -4.156  -0.427
   63    HB2  LYS  11           1HB      LYS  11  -0.464  -6.354  -1.302
   64    HB3  LYS  11           2HB      LYS  11   0.355  -5.869  -2.776
   65    HG2  LYS  11           1HG      LYS  11   1.807  -7.205  -1.448
   66    HG3  LYS  11           2HG      LYS  11   2.467  -5.585  -1.602
   67    HD2  LYS  11           1HD      LYS  11   1.782  -5.078   0.707
   68    HD3  LYS  11           2HD      LYS  11   1.070  -6.693   0.876
   69    HE2  LYS  11           1HE      LYS  11   3.983  -6.127   0.129
   70    HE3  LYS  11           2HE      LYS  11   3.452  -6.372   1.778
   71    HZ1  LYS  11           3HZ      LYS  11   2.689  -8.614   1.146
   72    HZ2  LYS  11           1HZ      LYS  11   4.287  -8.435   0.859
   73    HZ3  LYS  11           2HZ      LYS  11   3.234  -8.397  -0.381
   74    H    CYS  12           H        CYS  12   0.887  -2.807   0.313
   75    HA   CYS  12           HA       CYS  12   2.442  -0.828  -0.954
   76    HB2  CYS  12           1HB      CYS  12   1.727  -0.880   1.388
   77    HB3  CYS  12           2HB      CYS  12   2.744  -2.292   1.691
   78    H    SER  13           H        SER  13   4.489  -0.727  -1.752
   79    HA   SER  13           HA       SER  13   5.859  -3.230  -2.449
   80    HB2  SER  13           1HB      SER  13   7.334  -1.757  -3.769
   81    HB3  SER  13           2HB      SER  13   5.618  -1.545  -4.153
   82    HG   SER  13           HG       SER  13   6.721   0.461  -3.913
   83    H    LEU  14           H        LEU  14   5.902  -1.360   0.269
   84    HA   LEU  14           HA       LEU  14   8.840  -1.633   0.809
   85    HB2  LEU  14           1HB      LEU  14   6.804   0.264   2.025
   86    HB3  LEU  14           2HB      LEU  14   8.537   0.321   2.235
   87    HG   LEU  14           HG       LEU  14   7.166   0.732  -0.467
   88   HD11  LEU  14          1HD1      LEU  14   6.487   2.494   1.022
   89   HD12  LEU  14          2HD1      LEU  14   7.603   3.114  -0.190
   90   HD13  LEU  14          3HD1      LEU  14   8.184   2.817   1.472
   91   HD21  LEU  14          3HD2      LEU  14  10.009   1.299   0.464
   92   HD22  LEU  14          1HD2      LEU  14   9.336   1.691  -1.136
   93   HD23  LEU  14          2HD2      LEU  14   9.508   0.002  -0.646
   94    H    CYS  15           H        CYS  15   5.621  -2.012   2.187
   95    HA   CYS  15           HA       CYS  15   6.685  -3.842   4.283
   96    HB2  CYS  15           1HB      CYS  15   5.607  -2.748   6.029
   97    HB3  CYS  15           2HB      CYS  15   6.377  -1.478   5.116
   98    H    GLU  16           H        GLU  16   4.553  -4.596   5.588
   99    HA   GLU  16           HA       GLU  16   3.123  -6.254   3.609
  100    HB2  GLU  16           1HB      GLU  16   4.369  -7.066   5.751
  101    HB3  GLU  16           2HB      GLU  16   2.936  -6.526   6.623
  102    HG2  GLU  16           1HG      GLU  16   1.553  -8.128   5.320
  103    HG3  GLU  16           2HG      GLU  16   2.949  -8.539   4.323
  104    H    TYR  17           H        TYR  17   2.469  -3.282   4.510
  105    HA   TYR  17           HA       TYR  17  -0.334  -3.376   5.212
  106    HB2  TYR  17           1HB      TYR  17   1.072  -1.403   5.442
  107    HB3  TYR  17           2HB      TYR  17   1.363  -1.349   3.722
  108    HD1  TYR  17           1HD      TYR  17  -0.412  -0.604   2.155
  109    HD2  TYR  17           2HD      TYR  17  -1.054  -0.608   6.413
  110    HE1  TYR  17           1HE      TYR  17  -2.371   0.938   1.857
  111    HE2  TYR  17           2HE      TYR  17  -3.009   0.907   6.115
  112    HH   TYR  17           HH       TYR  17  -4.325   2.004   4.655
  113    H    ALA  18           H        ALA  18  -2.155  -3.548   4.014
  114    HA   ALA  18           HA       ALA  18  -2.040  -3.065   1.170
  115    HB1  ALA  18           1HB      ALA  18  -1.499  -5.503   1.328
  116    HB2  ALA  18           2HB      ALA  18  -3.065  -5.764   2.127
  117    HB3  ALA  18           3HB      ALA  18  -3.004  -5.163   0.444
  118    H    THR  19           H        THR  19  -4.027  -2.711   0.171
  119    HA   THR  19           HA       THR  19  -6.472  -2.464   1.852
  120    HB   THR  19           HB       THR  19  -5.322  -0.318   2.107
  121    HG1  THR  19           1HG      THR  19  -7.386   0.140   1.999
  122   HG21  THR  19          3HG2      THR  19  -4.847   1.128   0.283
  123   HG22  THR  19          1HG2      THR  19  -5.347  -0.083  -0.911
  124   HG23  THR  19          2HG2      THR  19  -3.909  -0.348   0.113
  125    H    ARG  20           H        ARG  20  -8.363  -1.909   0.607
  126    HA   ARG  20           HA       ARG  20  -8.514  -3.257  -2.026
  127    HB2  ARG  20           1HB      ARG  20 -10.554  -2.321   0.006
  128    HB3  ARG  20           2HB      ARG  20 -11.040  -2.812  -1.608
  129    HG2  ARG  20           1HG      ARG  20  -9.355  -4.629   0.164
  130    HG3  ARG  20           2HG      ARG  20 -11.107  -4.598   0.274
  131    HD2  ARG  20           1HD      ARG  20  -9.608  -5.173  -2.310
  132    HD3  ARG  20           2HD      ARG  20 -10.150  -6.422  -1.205
  133    HE   ARG  20           HE       ARG  20 -11.779  -4.808  -3.043
  134   HH11  ARG  20          2HH2      ARG  20 -11.982  -6.953  -0.273
  135   HH12  ARG  20          1HH2      ARG  20 -13.658  -7.320  -0.577
  136   HH21  ARG  20          2HH1      ARG  20 -13.908  -5.320  -3.361
  137   HH22  ARG  20          1HH1      ARG  20 -14.712  -6.419  -2.278
  138    H    SER  21           H        SER  21  -7.962  -0.094  -0.999
  139    HA   SER  21           HA       SER  21  -8.997   1.010  -3.597
  140    HB2  SER  21           1HB      SER  21  -8.996   2.317  -0.857
  141    HB3  SER  21           2HB      SER  21  -9.431   3.118  -2.382
  142    HG   SER  21           HG       SER  21 -11.274   2.312  -1.252
  143    H    LYS  22           H        LYS  22  -7.445   1.733  -4.887
  144    HA   LYS  22           HA       LYS  22  -4.724   1.913  -4.199
  145    HB2  LYS  22           1HB      LYS  22  -4.354   2.813  -6.390
  146    HB3  LYS  22           2HB      LYS  22  -5.582   1.559  -6.465
  147    HG2  LYS  22           1HG      LYS  22  -7.343   3.420  -6.460
  148    HG3  LYS  22           2HG      LYS  22  -6.011   4.561  -6.686
  149    HD2  LYS  22           1HD      LYS  22  -6.768   2.264  -8.544
  150    HD3  LYS  22           2HD      LYS  22  -7.094   3.982  -8.812
  151    HE2  LYS  22           1HE      LYS  22  -4.627   4.424  -8.818
  152    HE3  LYS  22           2HE      LYS  22  -4.336   2.688  -8.635
  153    HZ1  LYS  22           3HZ      LYS  22  -5.475   2.340 -10.764
  154    HZ2  LYS  22           1HZ      LYS  22  -4.216   3.360 -10.963
  155    HZ3  LYS  22           2HZ      LYS  22  -5.738   3.943 -10.934
  156    H    SER  23           H        SER  23  -7.093   4.554  -4.234
  157    HA   SER  23           HA       SER  23  -5.278   6.691  -3.713
  158    HB2  SER  23           1HB      SER  23  -8.200   6.416  -2.910
  159    HB3  SER  23           2HB      SER  23  -7.271   7.926  -2.990
  160    HG   SER  23           HG       SER  23  -8.507   7.548  -4.903
  161    H    ASN  24           H        ASN  24  -6.507   4.200  -1.560
  162    HA   ASN  24           HA       ASN  24  -5.736   5.680   0.869
  163    HB2  ASN  24           1HB      ASN  24  -7.748   3.988   0.487
  164    HB3  ASN  24           2HB      ASN  24  -6.531   2.769   0.856
  165   HD21  ASN  24          1HD2      ASN  24  -5.277   3.201   3.022
  166   HD22  ASN  24          2HD2      ASN  24  -6.231   3.952   4.290
  167    H    LEU  25           H        LEU  25  -4.513   2.866  -1.072
  168    HA   LEU  25           HA       LEU  25  -2.151   2.542   0.470
  169    HB2  LEU  25           1HB      LEU  25  -2.724   0.868  -1.199
  170    HB3  LEU  25           2HB      LEU  25  -2.572   2.037  -2.508
  171    HG   LEU  25           HG       LEU  25  -0.192   2.207  -2.090
  172   HD11  LEU  25          1HD1      LEU  25   0.989   0.792  -0.450
  173   HD12  LEU  25          2HD1      LEU  25  -0.567   0.151   0.117
  174   HD13  LEU  25          3HD1      LEU  25  -0.134   1.858   0.377
  175   HD21  LEU  25          3HD2      LEU  25  -0.967  -0.702  -2.201
  176   HD22  LEU  25          1HD2      LEU  25   0.577  -0.001  -2.715
  177   HD23  LEU  25          2HD2      LEU  25  -0.907   0.425  -3.587
  178    H    LYS  26           H        LYS  26  -2.715   4.617  -2.346
  179    HA   LYS  26           HA       LYS  26  -0.255   5.941  -2.633
  180    HB2  LYS  26           1HB      LYS  26  -2.273   6.294  -4.033
  181    HB3  LYS  26           2HB      LYS  26  -3.082   7.068  -2.678
  182    HG2  LYS  26           1HG      LYS  26  -1.146   8.845  -2.791
  183    HG3  LYS  26           2HG      LYS  26  -0.789   8.105  -4.358
  184    HD2  LYS  26           1HD      LYS  26  -2.237   9.905  -4.842
  185    HD3  LYS  26           2HD      LYS  26  -3.285   8.469  -4.900
  186    HE2  LYS  26           1HE      LYS  26  -4.083   8.958  -2.600
  187    HE3  LYS  26           2HE      LYS  26  -2.997  10.348  -2.511
  188    HZ1  LYS  26           3HZ      LYS  26  -5.238  10.078  -4.449
  189    HZ2  LYS  26           1HZ      LYS  26  -4.236  11.363  -4.340
  190    HZ3  LYS  26           2HZ      LYS  26  -5.253  11.020  -3.114
  191    H    ALA  27           H        ALA  27  -2.775   6.619  -0.261
  192    HA   ALA  27           HA       ALA  27  -1.442   8.863   1.011
  193    HB1  ALA  27           1HB      ALA  27  -3.206   8.663   2.691
  194    HB2  ALA  27           2HB      ALA  27  -3.898   8.523   1.062
  195    HB3  ALA  27           3HB      ALA  27  -3.674   7.071   2.066
  196    H    HIS  28           H        HIS  28  -1.589   5.354   1.751
  197    HA   HIS  28           HA       HIS  28   0.025   5.425   4.131
  198    HB2  HIS  28           1HB      HIS  28  -1.397   3.592   3.751
  199    HB3  HIS  28           2HB      HIS  28  -0.746   3.285   2.148
  200    HD1  HIS  28           1HD      HIS  28   0.154   2.749   5.830
  201    HD2  HIS  28           2HD      HIS  28   1.588   2.005   1.951
  202    HE1  HIS  28           1HE      HIS  28   2.125   1.179   6.113
  203    H    MET  29           H        MET  29   0.864   5.078   0.666
  204    HA   MET  29           HA       MET  29   3.654   4.560   1.007
  205    HB2  MET  29           1HB      MET  29   2.219   5.885  -1.318
  206    HB3  MET  29           2HB      MET  29   3.834   5.196  -1.369
  207    HG2  MET  29           1HG      MET  29   1.839   3.224  -0.408
  208    HG3  MET  29           2HG      MET  29   1.407   3.948  -1.914
  209    HE1  MET  29           3HE      MET  29   3.981   1.992  -0.034
  210    HE2  MET  29           1HE      MET  29   5.140   1.430  -1.263
  211    HE3  MET  29           2HE      MET  29   5.101   3.147  -0.786
  212    H    ASN  30           H        ASN  30   1.850   7.591   1.103
  213    HA   ASN  30           HA       ASN  30   4.224   9.300   1.022
  214    HB2  ASN  30           1HB      ASN  30   1.275   9.726   1.584
  215    HB3  ASN  30           2HB      ASN  30   2.451  10.960   2.017
  216   HD21  ASN  30          1HD2      ASN  30   1.211   9.091  -0.808
  217   HD22  ASN  30          2HD2      ASN  30   1.746  10.312  -1.957
  218    H    ARG  31           H        ARG  31   2.556   7.529   3.608
  219    HA   ARG  31           HA       ARG  31   3.800   8.955   5.820
  220    HB2  ARG  31           1HB      ARG  31   2.811   6.072   5.752
  221    HB3  ARG  31           2HB      ARG  31   3.173   7.029   7.184
  222    HG2  ARG  31           1HG      ARG  31   1.360   8.622   6.615
  223    HG3  ARG  31           2HG      ARG  31   0.969   7.658   5.181
  224    HD2  ARG  31           1HD      ARG  31   0.525   5.691   6.647
  225    HD3  ARG  31           2HD      ARG  31   0.817   6.720   8.067
  226    HE   ARG  31           HE       ARG  31  -1.148   7.957   6.396
  227   HH11  ARG  31          2HH1      ARG  31  -0.919   5.227   8.583
  228   HH12  ARG  31          1HH1      ARG  31  -2.625   5.247   8.932
  229   HH21  ARG  31          2HH2      ARG  31  -3.313   7.935   6.899
  230   HH22  ARG  31          1HH2      ARG  31  -3.938   6.746   8.002
  231    H    HIS  32           H        HIS  32   4.857   6.285   3.778
  232    HA   HIS  32           HA       HIS  32   7.244   5.639   5.242
  233    HB2  HIS  32           1HB      HIS  32   6.356   5.198   2.372
  234    HB3  HIS  32           2HB      HIS  32   7.941   4.710   2.938
  235    HD1  HIS  32           1HD      HIS  32   7.892   2.962   5.155
  236    HD2  HIS  32           2HD      HIS  32   4.572   3.287   2.595
  237    HE1  HIS  32           1HE      HIS  32   6.606   0.796   5.421
  238    H    SER  33           H        SER  33   6.575   8.557   3.598
  239    HA   SER  33           HA       SER  33   9.268   9.126   2.665
  240    HB2  SER  33           1HB      SER  33   7.075  10.145   1.843
  241    HB3  SER  33           2HB      SER  33   7.099  11.148   3.303
  242    HG   SER  33           HG       SER  33   9.194  11.895   2.606
  243    H    THR  34           H        THR  34   8.076   8.857   5.808
  244    HA   THR  34           HA       THR  34  10.425  10.271   6.911
  245    HB   THR  34           HB       THR  34   8.507  11.849   7.025
  246    HG1  THR  34           1HG      THR  34   8.927  12.382   9.144
  247   HG21  THR  34          3HG2      THR  34   6.744  11.526   8.683
  248   HG22  THR  34          1HG2      THR  34   7.337   9.896   9.057
  249   HG23  THR  34          2HG2      THR  34   6.651  10.253   7.457
  250    H    GLU  35           H        GLU  35  10.607   9.738   9.324
  251    HA   GLU  35           HA       GLU  35  11.380   8.116  10.719
  252    HB2  GLU  35           1HB      GLU  35   8.886   8.423  11.185
  253    HB3  GLU  35           2HB      GLU  35   8.650   6.836  10.451
  254    HG2  GLU  35           1HG      GLU  35  10.210   5.858  12.159
  255    HG3  GLU  35           2HG      GLU  35  10.475   7.468  12.823
  256    H    LYS  36           H        LYS  36  12.399   7.668   8.329
  257    HA   LYS  36           HA       LYS  36  12.556   4.716   7.962
  258    HB2  LYS  36           1HB      LYS  36  12.410   4.931   5.585
  259    HB3  LYS  36           2HB      LYS  36  11.044   5.776   6.290
  260    HG2  LYS  36           1HG      LYS  36  11.628   7.398   4.802
  261    HG3  LYS  36           2HG      LYS  36  12.704   7.898   6.086
  262    HD2  LYS  36           1HD      LYS  36  14.347   6.108   4.779
  263    HD3  LYS  36           2HD      LYS  36  13.271   6.554   3.458
  264    HE2  LYS  36           1HE      LYS  36  14.944   8.161   3.237
  265    HE3  LYS  36           2HE      LYS  36  13.745   9.022   4.210
  266    HZ1  LYS  36           3HZ      LYS  36  16.274   7.781   5.120
  267    HZ2  LYS  36           1HZ      LYS  36  15.109   8.109   6.195
  268    HZ3  LYS  36           2HZ      LYS  36  15.802   9.330   5.321
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -20.262 -20.175   6.563
    2    H2   GLY   1           2H       GLY   1 -20.516 -21.496   5.629
    3    H3   GLY   1           3H       GLY   1 -21.478 -20.178   5.465
    4    HA2  GLY   1           1HA      GLY   1 -19.915 -20.290   3.638
    5    HA3  GLY   1           2HA      GLY   1 -19.657 -18.852   4.641
    6    H    SER   2           H        SER   2 -17.678 -19.948   2.952
    7    HA   SER   2           HA       SER   2 -15.799 -21.562   4.513
    8    HB2  SER   2           1HB      SER   2 -14.420 -21.419   2.501
    9    HB3  SER   2           2HB      SER   2 -16.089 -21.854   2.089
   10    HG   SER   2           HG       SER   2 -15.321 -20.221   0.700
   11    H    SER   3           H        SER   3 -16.368 -18.190   4.241
   12    HA   SER   3           HA       SER   3 -15.257 -16.287   4.648
   13    HB2  SER   3           1HB      SER   3 -13.508 -17.918   6.508
   14    HB3  SER   3           2HB      SER   3 -13.669 -16.153   6.489
   15    HG   SER   3           HG       SER   3 -15.025 -17.143   8.063
   16    H    GLY   4           H        GLY   4 -14.190 -18.149   2.461
   17    HA2  GLY   4           1HA      GLY   4 -11.412 -17.356   2.056
   18    HA3  GLY   4           2HA      GLY   4 -12.472 -18.146   0.892
   19    H    SER   5           H        SER   5 -10.633 -16.016   0.342
   20    HA   SER   5           HA       SER   5 -12.427 -14.203  -1.097
   21    HB2  SER   5           1HB      SER   5 -11.544 -12.143  -0.259
   22    HB3  SER   5           2HB      SER   5 -12.096 -13.071   1.136
   23    HG   SER   5           HG       SER   5  -9.966 -13.593   1.611
   24    H    SER   6           H        SER   6 -11.182 -12.705  -2.543
   25    HA   SER   6           HA       SER   6  -8.893 -14.014  -3.818
   26    HB2  SER   6           1HB      SER   6 -10.235 -11.372  -4.474
   27    HB3  SER   6           2HB      SER   6  -9.095 -12.268  -5.497
   28    HG   SER   6           HG       SER   6 -11.273 -12.665  -6.095
   29    H    GLY   7           H        GLY   7  -8.858 -12.336  -1.037
   30    HA2  GLY   7           1HA      GLY   7  -7.179 -11.249   0.127
   31    HA3  GLY   7           2HA      GLY   7  -6.117 -11.413  -1.268
   32    H    LYS   8           H        LYS   8  -5.323  -9.304  -1.020
   33    HA   LYS   8           HA       LYS   8  -7.224  -7.084  -1.589
   34    HB2  LYS   8           1HB      LYS   8  -4.728  -7.120   0.112
   35    HB3  LYS   8           2HB      LYS   8  -5.499  -5.623  -0.435
   36    HG2  LYS   8           1HG      LYS   8  -7.599  -6.220   0.669
   37    HG3  LYS   8           2HG      LYS   8  -6.935  -7.786   1.171
   38    HD2  LYS   8           1HD      LYS   8  -5.209  -6.647   2.515
   39    HD3  LYS   8           2HD      LYS   8  -5.832  -5.074   1.964
   40    HE2  LYS   8           1HE      LYS   8  -8.000  -5.539   3.049
   41    HE3  LYS   8           2HE      LYS   8  -7.391  -7.105   3.607
   42    HZ1  LYS   8           3HZ      LYS   8  -6.178  -4.486   4.352
   43    HZ2  LYS   8           1HZ      LYS   8  -5.730  -5.945   4.928
   44    HZ3  LYS   8           2HZ      LYS   8  -7.193  -5.339   5.312
   45    HA   PRO   9           HA       PRO   9  -5.084  -6.423  -5.344
   46    HB2  PRO   9           1HB      PRO   9  -5.999  -3.958  -6.084
   47    HB3  PRO   9           2HB      PRO   9  -7.034  -5.419  -6.026
   48    HG2  PRO   9           1HG      PRO   9  -6.667  -3.342  -3.827
   49    HG3  PRO   9           2HG      PRO   9  -8.214  -3.910  -4.556
   50    HD2  PRO   9           1HD      PRO   9  -7.198  -4.943  -2.261
   51    HD3  PRO   9           2HD      PRO   9  -7.976  -6.015  -3.482
   52    H    PHE  10           H        PHE  10  -4.807  -3.675  -3.002
   53    HA   PHE  10           HA       PHE  10  -2.231  -2.849  -4.278
   54    HB2  PHE  10           1HB      PHE  10  -4.110  -1.177  -2.617
   55    HB3  PHE  10           2HB      PHE  10  -2.715  -0.644  -3.517
   56    HD1  PHE  10           1HD      PHE  10  -2.641  -1.106  -6.076
   57    HD2  PHE  10           2HD      PHE  10  -6.243  -1.089  -3.716
   58    HE1  PHE  10           1HE      PHE  10  -3.982  -0.871  -8.137
   59    HE2  PHE  10           2HE      PHE  10  -7.602  -0.892  -5.792
   60    HZ   PHE  10           HZ       PHE  10  -6.471  -0.765  -8.010
   61    H    LYS  11           H        LYS  11  -0.962  -4.159  -3.368
   62    HA   LYS  11           HA       LYS  11  -0.466  -4.159  -0.436
   63    HB2  LYS  11           1HB      LYS  11  -0.721  -6.276  -1.824
   64    HB3  LYS  11           2HB      LYS  11   0.781  -5.864  -2.632
   65    HG2  LYS  11           1HG      LYS  11   0.418  -6.506   0.333
   66    HG3  LYS  11           2HG      LYS  11   1.066  -7.571  -0.915
   67    HD2  LYS  11           1HD      LYS  11   2.872  -5.754  -1.283
   68    HD3  LYS  11           2HD      LYS  11   2.317  -5.096   0.280
   69    HE2  LYS  11           1HE      LYS  11   2.798  -7.255   1.366
   70    HE3  LYS  11           2HE      LYS  11   3.340  -7.923  -0.184
   71    HZ1  LYS  11           3HZ      LYS  11   5.064  -6.185  -0.233
   72    HZ2  LYS  11           1HZ      LYS  11   5.226  -7.097   1.122
   73    HZ3  LYS  11           2HZ      LYS  11   4.560  -5.593   1.199
   74    H    CYS  12           H        CYS  12   0.925  -2.826   0.330
   75    HA   CYS  12           HA       CYS  12   2.486  -0.876  -0.916
   76    HB2  CYS  12           1HB      CYS  12   1.763  -0.909   1.411
   77    HB3  CYS  12           2HB      CYS  12   2.778  -2.318   1.738
   78    H    SER  13           H        SER  13   4.472  -0.745  -1.815
   79    HA   SER  13           HA       SER  13   5.926  -3.185  -2.474
   80    HB2  SER  13           1HB      SER  13   7.398  -1.653  -3.744
   81    HB3  SER  13           2HB      SER  13   5.683  -1.474  -4.144
   82    HG   SER  13           HG       SER  13   6.729   0.553  -3.852
   83    H    LEU  14           H        LEU  14   5.930  -1.402   0.298
   84    HA   LEU  14           HA       LEU  14   8.867  -1.682   0.855
   85    HB2  LEU  14           1HB      LEU  14   6.841   0.240   2.050
   86    HB3  LEU  14           2HB      LEU  14   8.573   0.276   2.276
   87    HG   LEU  14           HG       LEU  14   7.221   0.696  -0.434
   88   HD11  LEU  14          1HD1      LEU  14   6.566   2.461   1.078
   89   HD12  LEU  14          2HD1      LEU  14   7.647   3.066  -0.172
   90   HD13  LEU  14          3HD1      LEU  14   8.275   2.785   1.478
   91   HD21  LEU  14          3HD2      LEU  14   9.405   1.631  -1.097
   92   HD22  LEU  14          1HD2      LEU  14   9.556  -0.059  -0.602
   93   HD23  LEU  14          2HD2      LEU  14  10.067   1.234   0.507
   94    H    CYS  15           H        CYS  15   5.632  -2.026   2.224
   95    HA   CYS  15           HA       CYS  15   6.693  -3.840   4.344
   96    HB2  CYS  15           1HB      CYS  15   5.643  -2.719   6.075
   97    HB3  CYS  15           2HB      CYS  15   6.371  -1.452   5.120
   98    H    GLU  16           H        GLU  16   4.526  -4.531   5.681
   99    HA   GLU  16           HA       GLU  16   3.131  -6.284   3.755
  100    HB2  GLU  16           1HB      GLU  16   4.376  -7.009   5.933
  101    HB3  GLU  16           2HB      GLU  16   2.925  -6.459   6.771
  102    HG2  GLU  16           1HG      GLU  16   1.578  -8.114   5.486
  103    HG3  GLU  16           2HG      GLU  16   3.000  -8.546   4.537
  104    H    TYR  17           H        TYR  17   2.469  -3.291   4.533
  105    HA   TYR  17           HA       TYR  17  -0.354  -3.390   5.195
  106    HB2  TYR  17           1HB      TYR  17   1.020  -1.406   5.442
  107    HB3  TYR  17           2HB      TYR  17   1.362  -1.365   3.730
  108    HD1  TYR  17           1HD      TYR  17  -0.414  -0.705   2.091
  109    HD2  TYR  17           2HD      TYR  17  -1.091  -0.520   6.341
  110    HE1  TYR  17           1HE      TYR  17  -2.351   0.822   1.713
  111    HE2  TYR  17           2HE      TYR  17  -3.019   1.012   5.959
  112    HH   TYR  17           HH       TYR  17  -4.317   2.093   4.414
  113    H    ALA  18           H        ALA  18  -2.139  -3.557   3.961
  114    HA   ALA  18           HA       ALA  18  -1.983  -3.137   1.115
  115    HB1  ALA  18           1HB      ALA  18  -2.976  -5.835   2.116
  116    HB2  ALA  18           2HB      ALA  18  -2.977  -5.262   0.420
  117    HB3  ALA  18           3HB      ALA  18  -1.442  -5.556   1.283
  118    H    THR  19           H        THR  19  -3.957  -2.722   0.117
  119    HA   THR  19           HA       THR  19  -6.415  -2.524   1.791
  120    HB   THR  19           HB       THR  19  -5.179  -0.430   2.108
  121    HG1  THR  19           1HG      THR  19  -7.301  -0.142   2.135
  122   HG21  THR  19          3HG2      THR  19  -3.882  -0.425  -0.004
  123   HG22  THR  19          1HG2      THR  19  -4.694   1.077   0.358
  124   HG23  THR  19          2HG2      THR  19  -5.366  -0.003  -0.888
  125    H    ARG  20           H        ARG  20  -8.316  -1.919   0.558
  126    HA   ARG  20           HA       ARG  20  -8.482  -3.326  -2.040
  127    HB2  ARG  20           1HB      ARG  20 -10.575  -2.213  -0.155
  128    HB3  ARG  20           2HB      ARG  20 -10.961  -2.956  -1.694
  129    HG2  ARG  20           1HG      ARG  20  -9.539  -4.359   0.610
  130    HG3  ARG  20           2HG      ARG  20 -11.252  -4.481   0.244
  131    HD2  ARG  20           1HD      ARG  20  -8.980  -5.497  -1.511
  132    HD3  ARG  20           2HD      ARG  20 -10.067  -6.463  -0.524
  133    HE   ARG  20           HE       ARG  20 -11.561  -4.841  -2.378
  134   HH11  ARG  20          2HH1      ARG  20  -9.748  -7.897  -2.302
  135   HH12  ARG  20          1HH1      ARG  20 -10.529  -8.432  -3.755
  136   HH21  ARG  20          2HH2      ARG  20 -12.496  -5.669  -4.188
  137   HH22  ARG  20          1HH2      ARG  20 -12.046  -7.245  -4.764
  138    H    SER  21           H        SER  21  -7.969  -0.098  -1.155
  139    HA   SER  21           HA       SER  21  -8.892   0.823  -3.862
  140    HB2  SER  21           1HB      SER  21  -9.126   2.362  -1.254
  141    HB3  SER  21           2HB      SER  21  -9.538   2.965  -2.869
  142    HG   SER  21           HG       SER  21 -11.386   2.181  -1.747
  143    H    LYS  22           H        LYS  22  -7.395   1.831  -5.059
  144    HA   LYS  22           HA       LYS  22  -4.693   1.996  -4.230
  145    HB2  LYS  22           1HB      LYS  22  -4.236   2.974  -6.365
  146    HB3  LYS  22           2HB      LYS  22  -5.450   1.720  -6.554
  147    HG2  LYS  22           1HG      LYS  22  -7.222   3.581  -6.530
  148    HG3  LYS  22           2HG      LYS  22  -5.885   4.730  -6.651
  149    HD2  LYS  22           1HD      LYS  22  -6.584   2.527  -8.641
  150    HD3  LYS  22           2HD      LYS  22  -6.869   4.261  -8.843
  151    HE2  LYS  22           1HE      LYS  22  -4.392   4.651  -8.725
  152    HE3  LYS  22           2HE      LYS  22  -4.147   2.900  -8.621
  153    HZ1  LYS  22           3HZ      LYS  22  -5.427   4.305 -10.905
  154    HZ2  LYS  22           1HZ      LYS  22  -5.205   2.688 -10.807
  155    HZ3  LYS  22           2HZ      LYS  22  -3.918   3.686 -10.904
  156    H    SER  23           H        SER  23  -7.177   4.440  -3.985
  157    HA   SER  23           HA       SER  23  -5.556   6.738  -3.447
  158    HB2  SER  23           1HB      SER  23  -7.678   7.553  -2.344
  159    HB3  SER  23           2HB      SER  23  -7.858   7.006  -4.022
  160    HG   SER  23           HG       SER  23  -9.504   6.172  -2.625
  161    H    ASN  24           H        ASN  24  -6.734   4.109  -1.336
  162    HA   ASN  24           HA       ASN  24  -5.814   5.314   1.151
  163    HB2  ASN  24           1HB      ASN  24  -6.498   2.452   0.381
  164    HB3  ASN  24           2HB      ASN  24  -6.086   2.954   2.011
  165   HD21  ASN  24          1HD2      ASN  24  -8.428   1.648   1.363
  166   HD22  ASN  24          2HD2      ASN  24  -9.771   2.751   1.679
  167    H    LEU  25           H        LEU  25  -4.432   2.774  -1.045
  168    HA   LEU  25           HA       LEU  25  -2.037   2.536   0.435
  169    HB2  LEU  25           1HB      LEU  25  -2.632   0.863  -1.235
  170    HB3  LEU  25           2HB      LEU  25  -2.462   2.034  -2.542
  171    HG   LEU  25           HG       LEU  25  -0.100   2.234  -2.079
  172   HD11  LEU  25          1HD1      LEU  25  -0.461   0.142   0.089
  173   HD12  LEU  25          2HD1      LEU  25  -0.048   1.852   0.373
  174   HD13  LEU  25          3HD1      LEU  25   1.094   0.811  -0.457
  175   HD21  LEU  25          3HD2      LEU  25  -0.746   0.457  -3.610
  176   HD22  LEU  25          1HD2      LEU  25  -0.803  -0.690  -2.238
  177   HD23  LEU  25          2HD2      LEU  25   0.731   0.055  -2.717
  178    H    LYS  26           H        LYS  26  -2.746   4.655  -2.325
  179    HA   LYS  26           HA       LYS  26  -0.266   5.984  -2.569
  180    HB2  LYS  26           1HB      LYS  26  -2.121   6.256  -4.102
  181    HB3  LYS  26           2HB      LYS  26  -3.111   7.044  -2.890
  182    HG2  LYS  26           1HG      LYS  26  -0.449   8.229  -3.758
  183    HG3  LYS  26           2HG      LYS  26  -1.875   8.411  -4.765
  184    HD2  LYS  26           1HD      LYS  26  -1.596   9.487  -1.928
  185    HD3  LYS  26           2HD      LYS  26  -1.508  10.396  -3.431
  186    HE2  LYS  26           1HE      LYS  26  -3.862   9.694  -3.962
  187    HE3  LYS  26           2HE      LYS  26  -3.954   8.903  -2.379
  188    HZ1  LYS  26           3HZ      LYS  26  -4.874  11.148  -2.302
  189    HZ2  LYS  26           1HZ      LYS  26  -3.474  11.805  -2.814
  190    HZ3  LYS  26           2HZ      LYS  26  -3.551  11.083  -1.350
  191    H    ALA  27           H        ALA  27  -2.778   6.530  -0.124
  192    HA   ALA  27           HA       ALA  27  -1.462   8.855   1.061
  193    HB1  ALA  27           1HB      ALA  27  -3.191   8.617   2.784
  194    HB2  ALA  27           2HB      ALA  27  -3.914   8.488   1.166
  195    HB3  ALA  27           3HB      ALA  27  -3.650   7.027   2.145
  196    H    HIS  28           H        HIS  28  -1.552   5.341   1.750
  197    HA   HIS  28           HA       HIS  28   0.053   5.395   4.135
  198    HB2  HIS  28           1HB      HIS  28  -1.377   3.565   3.695
  199    HB3  HIS  28           2HB      HIS  28  -0.673   3.278   2.108
  200    HD1  HIS  28           1HD      HIS  28   0.141   2.732   5.814
  201    HD2  HIS  28           2HD      HIS  28   1.641   1.997   1.956
  202    HE1  HIS  28           1HE      HIS  28   2.102   1.155   6.128
  203    H    MET  29           H        MET  29   0.896   5.070   0.668
  204    HA   MET  29           HA       MET  29   3.707   4.638   0.993
  205    HB2  MET  29           1HB      MET  29   2.192   5.945  -1.290
  206    HB3  MET  29           2HB      MET  29   3.842   5.340  -1.380
  207    HG2  MET  29           1HG      MET  29   1.886   3.284  -0.458
  208    HG3  MET  29           2HG      MET  29   1.530   3.982  -1.999
  209    HE1  MET  29           3HE      MET  29   5.215   1.496  -1.083
  210    HE2  MET  29           1HE      MET  29   5.100   3.191  -0.534
  211    HE3  MET  29           2HE      MET  29   3.925   1.986   0.043
  212    H    ASN  30           H        ASN  30   1.799   7.625   1.090
  213    HA   ASN  30           HA       ASN  30   4.115   9.397   1.034
  214    HB2  ASN  30           1HB      ASN  30   1.162   9.736   1.597
  215    HB3  ASN  30           2HB      ASN  30   2.296  10.984   2.095
  216   HD21  ASN  30          1HD2      ASN  30   1.114   9.209  -0.807
  217   HD22  ASN  30          2HD2      ASN  30   1.650  10.473  -1.908
  218    H    ARG  31           H        ARG  31   2.526   7.556   3.625
  219    HA   ARG  31           HA       ARG  31   3.840   8.945   5.825
  220    HB2  ARG  31           1HB      ARG  31   2.883   6.054   5.735
  221    HB3  ARG  31           2HB      ARG  31   3.280   6.991   7.168
  222    HG2  ARG  31           1HG      ARG  31   1.425   8.566   6.693
  223    HG3  ARG  31           2HG      ARG  31   0.979   7.613   5.269
  224    HD2  ARG  31           1HD      ARG  31   0.595   5.631   6.692
  225    HD3  ARG  31           2HD      ARG  31   1.018   6.559   8.130
  226    HE   ARG  31           HE       ARG  31  -1.475   6.681   6.571
  227   HH11  ARG  31          2HH1      ARG  31   0.381   8.361   9.029
  228   HH12  ARG  31          1HH1      ARG  31  -1.011   9.237   9.602
  229   HH21  ARG  31          2HH2      ARG  31  -3.200   7.830   7.358
  230   HH22  ARG  31          1HH2      ARG  31  -2.978   8.940   8.677
  231    H    HIS  32           H        HIS  32   4.830   6.337   3.672
  232    HA   HIS  32           HA       HIS  32   7.321   5.766   5.049
  233    HB2  HIS  32           1HB      HIS  32   6.271   5.135   2.266
  234    HB3  HIS  32           2HB      HIS  32   7.874   4.678   2.802
  235    HD1  HIS  32           1HD      HIS  32   7.881   3.052   5.131
  236    HD2  HIS  32           2HD      HIS  32   4.544   3.219   2.582
  237    HE1  HIS  32           1HE      HIS  32   6.644   0.868   5.478
  238    H    SER  33           H        SER  33   6.420   8.525   3.262
  239    HA   SER  33           HA       SER  33   8.901   8.881   1.794
  240    HB2  SER  33           1HB      SER  33   6.481   9.560   1.154
  241    HB3  SER  33           2HB      SER  33   6.790  11.008   2.128
  242    HG   SER  33           HG       SER  33   7.337  11.294  -0.091
  243    H    THR  34           H        THR  34   8.732   9.056   4.957
  244    HA   THR  34           HA       THR  34   9.833  11.671   5.598
  245    HB   THR  34           HB       THR  34  10.394  10.570   7.785
  246    HG1  THR  34           1HG      THR  34   9.528   8.518   8.133
  247   HG21  THR  34          3HG2      THR  34   8.228  11.727   7.426
  248   HG22  THR  34          1HG2      THR  34   8.076  10.357   8.536
  249   HG23  THR  34          2HG2      THR  34   7.510  10.203   6.860
  250    H    GLU  35           H        GLU  35  11.965  12.066   6.440
  251    HA   GLU  35           HA       GLU  35  14.149  10.255   5.635
  252    HB2  GLU  35           1HB      GLU  35  15.302  11.932   4.325
  253    HB3  GLU  35           2HB      GLU  35  13.730  11.584   3.618
  254    HG2  GLU  35           1HG      GLU  35  12.817  13.678   4.634
  255    HG3  GLU  35           2HG      GLU  35  14.404  14.026   5.323
  256    H    LYS  36           H        LYS  36  16.283  11.024   6.358
  257    HA   LYS  36           HA       LYS  36  16.188  12.562   8.925
  258    HB2  LYS  36           1HB      LYS  36  17.857  10.122   8.211
  259    HB3  LYS  36           2HB      LYS  36  17.998  11.068   9.699
  260    HG2  LYS  36           1HG      LYS  36  15.614  10.538  10.247
  261    HG3  LYS  36           2HG      LYS  36  15.530   9.491   8.824
  262    HD2  LYS  36           1HD      LYS  36  17.432   9.128  11.177
  263    HD3  LYS  36           2HD      LYS  36  15.918   8.244  10.924
  264    HE2  LYS  36           1HE      LYS  36  16.808   7.331   8.786
  265    HE3  LYS  36           2HE      LYS  36  18.334   8.180   9.061
  266    HZ1  LYS  36           3HZ      LYS  36  18.465   5.876   9.803
  267    HZ2  LYS  36           1HZ      LYS  36  17.219   6.073  10.835
  268    HZ3  LYS  36           2HZ      LYS  36  18.627   6.863  11.090
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1 -17.497 -26.829   5.536
    2    H2   GLY   1           2H       GLY   1 -16.592 -27.398   6.777
    3    H3   GLY   1           3H       GLY   1 -15.864 -26.740   5.464
    4    HA2  GLY   1           1HA      GLY   1 -17.573 -25.284   7.376
    5    HA3  GLY   1           2HA      GLY   1 -15.804 -25.199   7.319
    6    H    SER   2           H        SER   2 -17.621 -22.976   7.063
    7    HA   SER   2           HA       SER   2 -17.762 -22.211   4.241
    8    HB2  SER   2           1HB      SER   2 -18.816 -20.162   5.159
    9    HB3  SER   2           2HB      SER   2 -19.596 -21.662   5.685
   10    HG   SER   2           HG       SER   2 -19.272 -20.184   7.425
   11    H    SER   3           H        SER   3 -15.367 -21.812   6.695
   12    HA   SER   3           HA       SER   3 -14.234 -19.312   5.950
   13    HB2  SER   3           1HB      SER   3 -12.858 -21.729   7.179
   14    HB3  SER   3           2HB      SER   3 -12.264 -20.058   7.194
   15    HG   SER   3           HG       SER   3 -13.350 -20.606   9.143
   16    H    GLY   4           H        GLY   4 -12.302 -18.798   4.824
   17    HA2  GLY   4           1HA      GLY   4 -10.812 -20.673   3.220
   18    HA3  GLY   4           2HA      GLY   4 -11.963 -19.775   2.229
   19    H    SER   5           H        SER   5  -9.437 -19.482   1.543
   20    HA   SER   5           HA       SER   5  -7.890 -17.495   2.884
   21    HB2  SER   5           1HB      SER   5  -7.777 -18.374  -0.025
   22    HB3  SER   5           2HB      SER   5  -6.511 -17.500   0.860
   23    HG   SER   5           HG       SER   5  -6.127 -19.769   0.801
   24    H    SER   6           H        SER   6  -7.355 -15.368   2.313
   25    HA   SER   6           HA       SER   6  -9.008 -13.868   0.376
   26    HB2  SER   6           1HB      SER   6  -9.656 -12.192   2.035
   27    HB3  SER   6           2HB      SER   6 -10.307 -13.782   2.450
   28    HG   SER   6           HG       SER   6  -9.401 -12.737   4.275
   29    H    GLY   7           H        GLY   7  -8.274 -11.585   0.156
   30    HA2  GLY   7           1HA      GLY   7  -5.728 -10.678   1.120
   31    HA3  GLY   7           2HA      GLY   7  -5.562 -11.332  -0.514
   32    H    LYS   8           H        LYS   8  -4.915  -8.785  -0.232
   33    HA   LYS   8           HA       LYS   8  -7.234  -7.135  -1.152
   34    HB2  LYS   8           1HB      LYS   8  -4.927  -6.486   0.681
   35    HB3  LYS   8           2HB      LYS   8  -5.614  -5.223  -0.315
   36    HG2  LYS   8           1HG      LYS   8  -6.752  -4.984   1.687
   37    HG3  LYS   8           2HG      LYS   8  -7.892  -5.788   0.629
   38    HD2  LYS   8           1HD      LYS   8  -8.052  -6.739   2.840
   39    HD3  LYS   8           2HD      LYS   8  -7.405  -7.950   1.754
   40    HE2  LYS   8           1HE      LYS   8  -6.186  -8.117   3.790
   41    HE3  LYS   8           2HE      LYS   8  -5.082  -7.422   2.607
   42    HZ1  LYS   8           3HZ      LYS   8  -5.478  -5.228   3.616
   43    HZ2  LYS   8           1HZ      LYS   8  -5.029  -6.275   4.779
   44    HZ3  LYS   8           2HZ      LYS   8  -6.595  -5.854   4.642
   45    HA   PRO   9           HA       PRO   9  -5.261  -6.538  -5.002
   46    HB2  PRO   9           1HB      PRO   9  -6.240  -4.141  -5.855
   47    HB3  PRO   9           2HB      PRO   9  -7.224  -5.629  -5.705
   48    HG2  PRO   9           1HG      PRO   9  -6.899  -3.417  -3.653
   49    HG3  PRO   9           2HG      PRO   9  -8.438  -4.087  -4.308
   50    HD2  PRO   9           1HD      PRO   9  -7.420  -4.947  -1.963
   51    HD3  PRO   9           2HD      PRO   9  -8.096  -6.133  -3.121
   52    H    PHE  10           H        PHE  10  -4.888  -3.635  -2.856
   53    HA   PHE  10           HA       PHE  10  -2.358  -2.946  -4.300
   54    HB2  PHE  10           1HB      PHE  10  -4.110  -1.183  -2.601
   55    HB3  PHE  10           2HB      PHE  10  -2.718  -0.701  -3.538
   56    HD1  PHE  10           1HD      PHE  10  -2.680  -1.134  -6.062
   57    HD2  PHE  10           2HD      PHE  10  -6.271  -1.190  -3.685
   58    HE1  PHE  10           1HE      PHE  10  -4.036  -0.964  -8.118
   59    HE2  PHE  10           2HE      PHE  10  -7.640  -1.056  -5.749
   60    HZ   PHE  10           HZ       PHE  10  -6.521  -0.918  -7.983
   61    H    LYS  11           H        LYS  11  -1.065  -4.257  -3.445
   62    HA   LYS  11           HA       LYS  11  -0.419  -4.294  -0.559
   63    HB2  LYS  11           1HB      LYS  11  -0.627  -6.327  -2.150
   64    HB3  LYS  11           2HB      LYS  11   0.928  -5.845  -2.804
   65    HG2  LYS  11           1HG      LYS  11   0.336  -6.604   0.095
   66    HG3  LYS  11           2HG      LYS  11   1.028  -7.657  -1.131
   67    HD2  LYS  11           1HD      LYS  11   2.984  -6.059  -1.311
   68    HD3  LYS  11           2HD      LYS  11   2.316  -5.210   0.114
   69    HE2  LYS  11           1HE      LYS  11   2.384  -7.281   1.417
   70    HE3  LYS  11           2HE      LYS  11   3.003  -8.176   0.025
   71    HZ1  LYS  11           3HZ      LYS  11   4.416  -5.881   1.266
   72    HZ2  LYS  11           1HZ      LYS  11   5.018  -6.884   0.113
   73    HZ3  LYS  11           2HZ      LYS  11   4.711  -7.457   1.635
   74    H    CYS  12           H        CYS  12   0.930  -2.924   0.219
   75    HA   CYS  12           HA       CYS  12   2.451  -0.921  -0.997
   76    HB2  CYS  12           1HB      CYS  12   1.737  -1.039   1.340
   77    HB3  CYS  12           2HB      CYS  12   2.829  -2.400   1.629
   78    H    SER  13           H        SER  13   4.475  -0.706  -1.808
   79    HA   SER  13           HA       SER  13   5.970  -3.112  -2.556
   80    HB2  SER  13           1HB      SER  13   7.393  -1.533  -3.809
   81    HB3  SER  13           2HB      SER  13   5.673  -1.373  -4.197
   82    HG   SER  13           HG       SER  13   6.692   0.664  -3.874
   83    H    LEU  14           H        LEU  14   5.935  -1.299   0.217
   84    HA   LEU  14           HA       LEU  14   8.875  -1.543   0.779
   85    HB2  LEU  14           1HB      LEU  14   6.800   0.290   2.025
   86    HB3  LEU  14           2HB      LEU  14   8.530   0.360   2.268
   87    HG   LEU  14           HG       LEU  14   7.195   0.839  -0.439
   88   HD11  LEU  14          1HD1      LEU  14   8.182   2.873   1.573
   89   HD12  LEU  14          2HD1      LEU  14   6.491   2.545   1.107
   90   HD13  LEU  14          3HD1      LEU  14   7.604   3.214  -0.083
   91   HD21  LEU  14          3HD2      LEU  14  10.025   1.393   0.545
   92   HD22  LEU  14          1HD2      LEU  14   9.367   1.838  -1.050
   93   HD23  LEU  14          2HD2      LEU  14   9.542   0.132  -0.615
   94    H    CYS  15           H        CYS  15   5.648  -2.001   2.124
   95    HA   CYS  15           HA       CYS  15   6.740  -3.846   4.197
   96    HB2  CYS  15           1HB      CYS  15   5.601  -2.831   5.940
   97    HB3  CYS  15           2HB      CYS  15   6.340  -1.508   5.066
   98    H    GLU  16           H        GLU  16   4.589  -4.653   5.473
   99    HA   GLU  16           HA       GLU  16   3.270  -6.369   3.469
  100    HB2  GLU  16           1HB      GLU  16   4.445  -6.957   5.876
  101    HB3  GLU  16           2HB      GLU  16   2.782  -6.742   6.389
  102    HG2  GLU  16           1HG      GLU  16   2.929  -9.030   5.918
  103    HG3  GLU  16           2HG      GLU  16   2.199  -8.411   4.441
  104    H    TYR  17           H        TYR  17   2.501  -3.424   4.393
  105    HA   TYR  17           HA       TYR  17  -0.297  -3.589   5.065
  106    HB2  TYR  17           1HB      TYR  17   1.102  -1.608   5.313
  107    HB3  TYR  17           2HB      TYR  17   1.339  -1.494   3.589
  108    HD1  TYR  17           2HD      TYR  17  -0.947  -0.960   6.414
  109    HD2  TYR  17           1HD      TYR  17  -0.539  -0.620   2.138
  110    HE1  TYR  17           2HE      TYR  17  -2.853   0.641   6.351
  111    HE2  TYR  17           1HE      TYR  17  -2.443   1.034   2.070
  112    HH   TYR  17           HH       TYR  17  -4.103   2.083   3.367
  113    H    ALA  18           H        ALA  18  -2.132  -3.734   3.858
  114    HA   ALA  18           HA       ALA  18  -2.020  -3.294   1.024
  115    HB1  ALA  18           1HB      ALA  18  -1.385  -5.703   1.177
  116    HB2  ALA  18           2HB      ALA  18  -2.943  -6.041   1.941
  117    HB3  ALA  18           3HB      ALA  18  -2.887  -5.422   0.259
  118    H    THR  19           H        THR  19  -3.929  -2.726   0.093
  119    HA   THR  19           HA       THR  19  -6.380  -2.543   1.802
  120    HB   THR  19           HB       THR  19  -5.110  -0.491   2.143
  121    HG1  THR  19           1HG      THR  19  -6.705   0.807   1.755
  122   HG21  THR  19          3HG2      THR  19  -3.722  -0.432   0.158
  123   HG22  THR  19          1HG2      THR  19  -4.656   1.046   0.351
  124   HG23  THR  19          2HG2      THR  19  -5.153  -0.150  -0.863
  125    H    ARG  20           H        ARG  20  -8.277  -1.855   0.661
  126    HA   ARG  20           HA       ARG  20  -8.628  -3.089  -2.003
  127    HB2  ARG  20           1HB      ARG  20 -10.524  -1.879   0.038
  128    HB3  ARG  20           2HB      ARG  20 -11.066  -2.402  -1.548
  129    HG2  ARG  20           1HG      ARG  20  -9.672  -4.244   0.436
  130    HG3  ARG  20           2HG      ARG  20 -11.414  -4.067   0.321
  131    HD2  ARG  20           1HD      ARG  20  -9.658  -4.996  -1.987
  132    HD3  ARG  20           2HD      ARG  20 -10.493  -6.076  -0.893
  133    HE   ARG  20           HE       ARG  20 -11.649  -4.444  -3.054
  134   HH11  ARG  20          2HH1      ARG  20 -12.480  -6.355  -0.229
  135   HH12  ARG  20          1HH1      ARG  20 -14.125  -6.574  -0.760
  136   HH21  ARG  20          2HH2      ARG  20 -13.754  -4.765  -3.657
  137   HH22  ARG  20          1HH2      ARG  20 -14.818  -5.696  -2.646
  138    H    SER  21           H        SER  21  -7.868   0.051  -0.904
  139    HA   SER  21           HA       SER  21  -8.864   1.240  -3.478
  140    HB2  SER  21           1HB      SER  21 -10.100   2.225  -1.747
  141    HB3  SER  21           2HB      SER  21  -8.680   2.430  -0.718
  142    HG   SER  21           HG       SER  21  -9.446   4.346  -1.922
  143    H    LYS  22           H        LYS  22  -7.445   1.969  -4.856
  144    HA   LYS  22           HA       LYS  22  -4.611   1.866  -4.443
  145    HB2  LYS  22           1HB      LYS  22  -5.992   1.685  -6.605
  146    HB3  LYS  22           2HB      LYS  22  -6.069   3.442  -6.609
  147    HG2  LYS  22           1HG      LYS  22  -3.590   3.551  -6.703
  148    HG3  LYS  22           2HG      LYS  22  -3.503   1.783  -6.567
  149    HD2  LYS  22           1HD      LYS  22  -4.916   1.652  -8.689
  150    HD3  LYS  22           2HD      LYS  22  -4.685   3.391  -8.882
  151    HE2  LYS  22           1HE      LYS  22  -2.468   1.293  -8.705
  152    HE3  LYS  22           2HE      LYS  22  -3.120   1.939 -10.212
  153    HZ1  LYS  22           3HZ      LYS  22  -1.715   3.554  -8.149
  154    HZ2  LYS  22           1HZ      LYS  22  -2.353   4.153  -9.533
  155    HZ3  LYS  22           2HZ      LYS  22  -1.101   3.111  -9.593
  156    H    SER  23           H        SER  23  -6.927   4.544  -4.251
  157    HA   SER  23           HA       SER  23  -5.017   6.646  -3.770
  158    HB2  SER  23           1HB      SER  23  -7.958   6.428  -3.031
  159    HB3  SER  23           2HB      SER  23  -6.981   7.909  -2.952
  160    HG   SER  23           HG       SER  23  -8.163   7.721  -4.932
  161    H    ASN  24           H        ASN  24  -6.612   4.291  -1.627
  162    HA   ASN  24           HA       ASN  24  -5.716   5.559   0.831
  163    HB2  ASN  24           1HB      ASN  24  -7.707   4.073   0.666
  164    HB3  ASN  24           2HB      ASN  24  -6.629   2.710   0.292
  165   HD21  ASN  24          1HD2      ASN  24  -7.199   5.209   2.851
  166   HD22  ASN  24          2HD2      ASN  24  -6.692   4.124   4.136
  167    H    LEU  25           H        LEU  25  -4.439   2.716  -1.078
  168    HA   LEU  25           HA       LEU  25  -2.079   2.464   0.435
  169    HB2  LEU  25           1HB      LEU  25  -2.606   0.818  -1.274
  170    HB3  LEU  25           2HB      LEU  25  -2.451   2.010  -2.559
  171    HG   LEU  25           HG       LEU  25  -0.078   2.205  -2.114
  172   HD11  LEU  25          1HD1      LEU  25   1.106   0.796  -0.478
  173   HD12  LEU  25          2HD1      LEU  25  -0.446   0.122   0.068
  174   HD13  LEU  25          3HD1      LEU  25  -0.043   1.832   0.350
  175   HD21  LEU  25          3HD2      LEU  25   0.727   0.007  -2.756
  176   HD22  LEU  25          1HD2      LEU  25  -0.758   0.408  -3.633
  177   HD23  LEU  25          2HD2      LEU  25  -0.807  -0.720  -2.252
  178    H    LYS  26           H        LYS  26  -2.679   4.592  -2.311
  179    HA   LYS  26           HA       LYS  26  -0.134   5.857  -2.498
  180    HB2  LYS  26           1HB      LYS  26  -1.888   6.122  -4.140
  181    HB3  LYS  26           2HB      LYS  26  -2.905   6.993  -3.011
  182    HG2  LYS  26           1HG      LYS  26  -0.160   8.056  -3.729
  183    HG3  LYS  26           2HG      LYS  26  -1.479   8.230  -4.866
  184    HD2  LYS  26           1HD      LYS  26  -1.411   9.390  -2.049
  185    HD3  LYS  26           2HD      LYS  26  -1.174  10.268  -3.542
  186    HE2  LYS  26           1HE      LYS  26  -3.761   8.859  -2.730
  187    HE3  LYS  26           2HE      LYS  26  -3.425  10.574  -2.526
  188    HZ1  LYS  26           3HZ      LYS  26  -4.679  10.198  -4.552
  189    HZ2  LYS  26           1HZ      LYS  26  -3.546   9.193  -5.157
  190    HZ3  LYS  26           2HZ      LYS  26  -3.209  10.779  -4.941
  191    H    ALA  27           H        ALA  27  -2.738   6.533  -0.194
  192    HA   ALA  27           HA       ALA  27  -1.406   8.835   1.000
  193    HB1  ALA  27           1HB      ALA  27  -3.625   7.036   2.073
  194    HB2  ALA  27           2HB      ALA  27  -3.163   8.626   2.707
  195    HB3  ALA  27           3HB      ALA  27  -3.863   8.492   1.080
  196    H    HIS  28           H        HIS  28  -1.562   5.336   1.740
  197    HA   HIS  28           HA       HIS  28   0.054   5.387   4.125
  198    HB2  HIS  28           1HB      HIS  28  -1.387   3.563   3.725
  199    HB3  HIS  28           2HB      HIS  28  -0.722   3.263   2.127
  200    HD1  HIS  28           1HD      HIS  28   0.082   2.609   5.794
  201    HD2  HIS  28           2HD      HIS  28   1.623   2.000   1.930
  202    HE1  HIS  28           1HE      HIS  28   2.010   0.985   6.069
  203    H    MET  29           H        MET  29   0.894   5.070   0.667
  204    HA   MET  29           HA       MET  29   3.710   4.655   1.007
  205    HB2  MET  29           1HB      MET  29   2.237   5.997  -1.282
  206    HB3  MET  29           2HB      MET  29   3.870   5.353  -1.345
  207    HG2  MET  29           1HG      MET  29   1.884   3.312  -0.478
  208    HG3  MET  29           2HG      MET  29   1.499   4.058  -1.987
  209    HE1  MET  29           3HE      MET  29   5.092   3.198  -0.606
  210    HE2  MET  29           1HE      MET  29   3.910   2.000  -0.031
  211    HE3  MET  29           2HE      MET  29   5.175   1.512  -1.183
  212    H    ASN  30           H        ASN  30   1.748   7.632   0.997
  213    HA   ASN  30           HA       ASN  30   4.065   9.407   1.178
  214    HB2  ASN  30           1HB      ASN  30   1.071   9.788   1.479
  215    HB3  ASN  30           2HB      ASN  30   2.206  11.040   1.968
  216   HD21  ASN  30          1HD2      ASN  30   1.137   9.134  -0.884
  217   HD22  ASN  30          2HD2      ASN  30   1.733  10.334  -2.023
  218    H    ARG  31           H        ARG  31   2.295   7.502   3.580
  219    HA   ARG  31           HA       ARG  31   3.417   8.923   5.884
  220    HB2  ARG  31           1HB      ARG  31   2.455   6.038   5.718
  221    HB3  ARG  31           2HB      ARG  31   2.885   6.913   7.176
  222    HG2  ARG  31           1HG      ARG  31   1.067   8.567   6.758
  223    HG3  ARG  31           2HG      ARG  31   0.607   7.676   5.307
  224    HD2  ARG  31           1HD      ARG  31  -0.893   7.028   7.039
  225    HD3  ARG  31           2HD      ARG  31   0.176   5.650   6.709
  226    HE   ARG  31           HE       ARG  31   1.289   7.213   8.833
  227   HH11  ARG  31          2HH1      ARG  31  -1.469   5.104   8.359
  228   HH12  ARG  31          1HH1      ARG  31  -1.514   4.637  10.038
  229   HH21  ARG  31          2HH2      ARG  31   1.176   6.573  10.958
  230   HH22  ARG  31          1HH2      ARG  31  -0.057   5.458  11.464
  231    H    HIS  32           H        HIS  32   4.499   6.122   3.925
  232    HA   HIS  32           HA       HIS  32   6.926   5.670   5.355
  233    HB2  HIS  32           1HB      HIS  32   6.154   5.206   2.452
  234    HB3  HIS  32           2HB      HIS  32   7.748   4.821   3.071
  235    HD1  HIS  32           1HD      HIS  32   7.770   2.985   5.191
  236    HD2  HIS  32           2HD      HIS  32   4.444   3.231   2.633
  237    HE1  HIS  32           1HE      HIS  32   6.596   0.748   5.378
  238    H    SER  33           H        SER  33   6.169   8.122   2.864
  239    HA   SER  33           HA       SER  33   8.823   9.093   2.513
  240    HB2  SER  33           1HB      SER  33   6.192  10.562   2.138
  241    HB3  SER  33           2HB      SER  33   7.764  11.062   1.505
  242    HG   SER  33           HG       SER  33   6.629   9.931  -0.084
  243    H    THR  34           H        THR  34   7.008   9.365   5.391
  244    HA   THR  34           HA       THR  34   7.890  12.034   6.156
  245    HB   THR  34           HB       THR  34   7.124  11.509   8.393
  246    HG1  THR  34           1HG      THR  34   6.366   8.958   7.435
  247   HG21  THR  34          3HG2      THR  34   4.747  11.108   7.928
  248   HG22  THR  34          1HG2      THR  34   5.137  10.602   6.269
  249   HG23  THR  34          2HG2      THR  34   5.451  12.268   6.788
  250    H    GLU  35           H        GLU  35   9.536   9.001   6.115
  251    HA   GLU  35           HA       GLU  35  11.874  10.290   7.418
  252    HB2  GLU  35           1HB      GLU  35  10.726   8.950   9.158
  253    HB3  GLU  35           2HB      GLU  35  10.883   7.504   8.152
  254    HG2  GLU  35           1HG      GLU  35  13.360   7.719   8.242
  255    HG3  GLU  35           2HG      GLU  35  13.204   9.203   9.182
  256    H    LYS  36           H        LYS  36  13.244  10.408   5.787
  257    HA   LYS  36           HA       LYS  36  13.875   8.057   4.068
  258    HB2  LYS  36           1HB      LYS  36  13.266  10.900   3.147
  259    HB3  LYS  36           2HB      LYS  36  14.000   9.677   2.129
  260    HG2  LYS  36           1HG      LYS  36  11.209   9.533   3.354
  261    HG3  LYS  36           2HG      LYS  36  11.584   9.966   1.696
  262    HD2  LYS  36           1HD      LYS  36  12.068   7.236   2.965
  263    HD3  LYS  36           2HD      LYS  36  10.765   7.666   1.857
  264    HE2  LYS  36           1HE      LYS  36  12.444   8.211   0.097
  265    HE3  LYS  36           2HE      LYS  36  13.745   7.740   1.200
  266    HZ1  LYS  36           3HZ      LYS  36  13.158   5.921  -0.288
  267    HZ2  LYS  36           1HZ      LYS  36  11.607   5.925   0.216
  268    HZ3  LYS  36           2HZ      LYS  36  12.804   5.492   1.246
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1   4.998 -21.800  -9.315
    2    H2   GLY   1           2H       GLY   1   6.290 -21.955 -10.312
    3    H3   GLY   1           3H       GLY   1   5.551 -20.501 -10.139
    4    HA2  GLY   1           1HA      GLY   1   7.029 -21.934  -8.029
    5    HA3  GLY   1           2HA      GLY   1   7.622 -20.519  -8.918
    6    H    SER   2           H        SER   2   7.846 -19.819  -6.611
    7    HA   SER   2           HA       SER   2   7.344 -18.534  -4.839
    8    HB2  SER   2           1HB      SER   2   5.017 -17.494  -6.480
    9    HB3  SER   2           2HB      SER   2   5.716 -16.736  -5.044
   10    HG   SER   2           HG       SER   2   6.557 -15.856  -6.995
   11    H    SER   3           H        SER   3   5.675 -17.868  -3.148
   12    HA   SER   3           HA       SER   3   3.551 -19.863  -2.663
   13    HB2  SER   3           1HB      SER   3   4.441 -20.361  -0.394
   14    HB3  SER   3           2HB      SER   3   5.456 -20.962  -1.705
   15    HG   SER   3           HG       SER   3   5.909 -18.645  -0.097
   16    H    GLY   4           H        GLY   4   2.069 -19.299  -1.019
   17    HA2  GLY   4           1HA      GLY   4   0.799 -17.891   0.309
   18    HA3  GLY   4           2HA      GLY   4   2.127 -16.740   0.371
   19    H    SER   5           H        SER   5  -0.122 -15.550   0.299
   20    HA   SER   5           HA       SER   5  -0.551 -14.473  -2.449
   21    HB2  SER   5           1HB      SER   5  -2.766 -15.363  -0.557
   22    HB3  SER   5           2HB      SER   5  -2.997 -14.474  -2.073
   23    HG   SER   5           HG       SER   5  -3.298 -16.745  -2.322
   24    H    SER   6           H        SER   6  -1.265 -12.324  -2.534
   25    HA   SER   6           HA       SER   6  -0.666 -10.630  -0.240
   26    HB2  SER   6           1HB      SER   6  -1.285  -8.809  -1.847
   27    HB3  SER   6           2HB      SER   6  -0.014  -9.900  -2.428
   28    HG   SER   6           HG       SER   6  -1.643  -9.480  -4.021
   29    H    GLY   7           H        GLY   7  -3.611 -11.880  -1.692
   30    HA2  GLY   7           1HA      GLY   7  -5.758 -12.015  -0.844
   31    HA3  GLY   7           2HA      GLY   7  -5.234 -11.136   0.593
   32    H    LYS   8           H        LYS   8  -4.455  -8.729  -0.331
   33    HA   LYS   8           HA       LYS   8  -6.961  -7.478  -1.373
   34    HB2  LYS   8           1HB      LYS   8  -4.740  -6.541   0.446
   35    HB3  LYS   8           2HB      LYS   8  -5.756  -5.376  -0.387
   36    HG2  LYS   8           1HG      LYS   8  -6.612  -5.657   1.799
   37    HG3  LYS   8           2HG      LYS   8  -7.774  -6.371   0.676
   38    HD2  LYS   8           1HD      LYS   8  -7.096  -8.626   1.321
   39    HD3  LYS   8           2HD      LYS   8  -5.687  -7.999   2.188
   40    HE2  LYS   8           1HE      LYS   8  -7.287  -8.600   3.828
   41    HE3  LYS   8           2HE      LYS   8  -7.212  -6.837   3.786
   42    HZ1  LYS   8           3HZ      LYS   8  -9.316  -8.493   2.479
   43    HZ2  LYS   8           1HZ      LYS   8  -9.275  -6.855   2.477
   44    HZ3  LYS   8           2HZ      LYS   8  -9.506  -7.666   3.870
   45    HA   PRO   9           HA       PRO   9  -5.142  -6.465  -5.183
   46    HB2  PRO   9           1HB      PRO   9  -6.301  -4.094  -5.909
   47    HB3  PRO   9           2HB      PRO   9  -7.176  -5.654  -5.818
   48    HG2  PRO   9           1HG      PRO   9  -6.957  -3.534  -3.656
   49    HG3  PRO   9           2HG      PRO   9  -8.463  -4.260  -4.328
   50    HD2  PRO   9           1HD      PRO   9  -7.383  -5.188  -2.050
   51    HD3  PRO   9           2HD      PRO   9  -7.954  -6.361  -3.278
   52    H    PHE  10           H        PHE  10  -4.875  -3.698  -2.869
   53    HA   PHE  10           HA       PHE  10  -2.359  -2.832  -4.257
   54    HB2  PHE  10           1HB      PHE  10  -4.184  -1.170  -2.530
   55    HB3  PHE  10           2HB      PHE  10  -2.811  -0.632  -3.461
   56    HD1  PHE  10           1HD      PHE  10  -2.798  -0.891  -5.994
   57    HD2  PHE  10           2HD      PHE  10  -6.352  -1.296  -3.598
   58    HE1  PHE  10           1HE      PHE  10  -4.184  -0.687  -8.026
   59    HE2  PHE  10           2HE      PHE  10  -7.755  -1.104  -5.643
   60    HZ   PHE  10           HZ       PHE  10  -6.675  -0.791  -7.866
   61    H    LYS  11           H        LYS  11  -1.065  -4.156  -3.387
   62    HA   LYS  11           HA       LYS  11  -0.513  -4.188  -0.467
   63    HB2  LYS  11           1HB      LYS  11  -0.783  -6.285  -1.877
   64    HB3  LYS  11           2HB      LYS  11   0.708  -5.860  -2.701
   65    HG2  LYS  11           1HG      LYS  11   0.387  -6.539   0.261
   66    HG3  LYS  11           2HG      LYS  11   1.024  -7.586  -1.006
   67    HD2  LYS  11           1HD      LYS  11   2.815  -5.756  -1.377
   68    HD3  LYS  11           2HD      LYS  11   2.279  -5.120   0.202
   69    HE2  LYS  11           1HE      LYS  11   2.785  -7.289   1.255
   70    HE3  LYS  11           2HE      LYS  11   3.311  -7.935  -0.310
   71    HZ1  LYS  11           3HZ      LYS  11   5.210  -7.113   0.980
   72    HZ2  LYS  11           1HZ      LYS  11   4.535  -5.614   1.085
   73    HZ3  LYS  11           2HZ      LYS  11   5.024  -6.185  -0.361
   74    H    CYS  12           H        CYS  12   0.875  -2.857   0.297
   75    HA   CYS  12           HA       CYS  12   2.419  -0.884  -0.922
   76    HB2  CYS  12           1HB      CYS  12   1.719  -0.998   1.419
   77    HB3  CYS  12           2HB      CYS  12   2.787  -2.381   1.697
   78    H    SER  13           H        SER  13   4.389  -0.732  -1.855
   79    HA   SER  13           HA       SER  13   5.856  -3.153  -2.557
   80    HB2  SER  13           1HB      SER  13   7.301  -1.606  -3.831
   81    HB3  SER  13           2HB      SER  13   5.581  -1.425  -4.208
   82    HG   SER  13           HG       SER  13   6.631   0.599  -3.910
   83    H    LEU  14           H        LEU  14   5.874  -1.386   0.229
   84    HA   LEU  14           HA       LEU  14   8.816  -1.653   0.756
   85    HB2  LEU  14           1HB      LEU  14   6.789   0.237   1.995
   86    HB3  LEU  14           2HB      LEU  14   8.522   0.283   2.206
   87    HG   LEU  14           HG       LEU  14   7.138   0.737  -0.482
   88   HD11  LEU  14          1HD1      LEU  14   7.580   3.106  -0.182
   89   HD12  LEU  14          2HD1      LEU  14   8.208   2.789   1.459
   90   HD13  LEU  14          3HD1      LEU  14   6.498   2.477   1.056
   91   HD21  LEU  14          3HD2      LEU  14   9.996   1.265   0.430
   92   HD22  LEU  14          1HD2      LEU  14   9.311   1.686  -1.159
   93   HD23  LEU  14          2HD2      LEU  14   9.472  -0.012  -0.694
   94    H    CYS  15           H        CYS  15   5.597  -2.034   2.157
   95    HA   CYS  15           HA       CYS  15   6.697  -3.867   4.240
   96    HB2  CYS  15           1HB      CYS  15   5.649  -2.783   5.993
   97    HB3  CYS  15           2HB      CYS  15   6.354  -1.495   5.049
   98    H    GLU  16           H        GLU  16   4.545  -4.599   5.583
   99    HA   GLU  16           HA       GLU  16   3.174  -6.362   3.649
  100    HB2  GLU  16           1HB      GLU  16   4.420  -7.075   5.824
  101    HB3  GLU  16           2HB      GLU  16   2.971  -6.531   6.668
  102    HG2  GLU  16           1HG      GLU  16   1.625  -8.199   5.407
  103    HG3  GLU  16           2HG      GLU  16   3.038  -8.623   4.440
  104    H    TYR  17           H        TYR  17   2.469  -3.369   4.501
  105    HA   TYR  17           HA       TYR  17  -0.344  -3.507   5.169
  106    HB2  TYR  17           1HB      TYR  17   1.053  -1.527   5.428
  107    HB3  TYR  17           2HB      TYR  17   1.331  -1.441   3.708
  108    HD1  TYR  17           1HD      TYR  17  -0.484  -0.692   2.167
  109    HD2  TYR  17           2HD      TYR  17  -1.037  -0.738   6.437
  110    HE1  TYR  17           1HE      TYR  17  -2.395   0.918   1.924
  111    HE2  TYR  17           2HE      TYR  17  -2.950   0.850   6.197
  112    HH   TYR  17           HH       TYR  17  -3.981   2.147   3.038
  113    H    ALA  18           H        ALA  18  -2.147  -3.675   3.942
  114    HA   ALA  18           HA       ALA  18  -2.002  -3.186   1.107
  115    HB1  ALA  18           1HB      ALA  18  -2.882  -5.286   0.324
  116    HB2  ALA  18           2HB      ALA  18  -1.433  -5.633   1.301
  117    HB3  ALA  18           3HB      ALA  18  -3.038  -5.901   2.001
  118    H    THR  19           H        THR  19  -3.981  -2.771   0.107
  119    HA   THR  19           HA       THR  19  -6.428  -2.597   1.796
  120    HB   THR  19           HB       THR  19  -5.165  -0.498   2.152
  121    HG1  THR  19           1HG      THR  19  -7.422  -0.416   2.089
  122   HG21  THR  19          3HG2      THR  19  -3.877  -0.374   0.109
  123   HG22  THR  19          1HG2      THR  19  -4.823   1.082   0.398
  124   HG23  THR  19          2HG2      THR  19  -5.359  -0.078  -0.834
  125    H    ARG  20           H        ARG  20  -8.322  -1.881   0.588
  126    HA   ARG  20           HA       ARG  20  -8.552  -3.198  -2.042
  127    HB2  ARG  20           1HB      ARG  20 -10.520  -2.146   0.002
  128    HB3  ARG  20           2HB      ARG  20 -11.051  -2.612  -1.605
  129    HG2  ARG  20           1HG      ARG  20  -9.464  -4.503   0.176
  130    HG3  ARG  20           2HG      ARG  20 -11.219  -4.390   0.252
  131    HD2  ARG  20           1HD      ARG  20  -9.695  -5.068  -2.297
  132    HD3  ARG  20           2HD      ARG  20 -10.352  -6.265  -1.175
  133    HE   ARG  20           HE       ARG  20 -12.445  -4.476  -1.882
  134   HH11  ARG  20          2HH1      ARG  20 -10.595  -7.034  -3.413
  135   HH12  ARG  20          1HH1      ARG  20 -11.848  -7.356  -4.578
  136   HH21  ARG  20          2HH2      ARG  20 -13.997  -4.952  -3.392
  137   HH22  ARG  20          1HH2      ARG  20 -13.723  -6.218  -4.552
  138    H    SER  21           H        SER  21  -7.855  -0.028  -1.111
  139    HA   SER  21           HA       SER  21  -8.791   0.952  -3.786
  140    HB2  SER  21           1HB      SER  21 -10.260   1.806  -1.992
  141    HB3  SER  21           2HB      SER  21  -8.848   2.563  -1.221
  142    HG   SER  21           HG       SER  21  -9.908   4.036  -2.621
  143    H    LYS  22           H        LYS  22  -7.368   1.909  -5.021
  144    HA   LYS  22           HA       LYS  22  -4.584   1.959  -4.468
  145    HB2  LYS  22           1HB      LYS  22  -5.732   1.841  -6.713
  146    HB3  LYS  22           2HB      LYS  22  -6.103   3.557  -6.579
  147    HG2  LYS  22           1HG      LYS  22  -3.614   4.006  -6.386
  148    HG3  LYS  22           2HG      LYS  22  -3.326   2.283  -6.662
  149    HD2  LYS  22           1HD      LYS  22  -4.739   4.187  -8.588
  150    HD3  LYS  22           2HD      LYS  22  -3.042   3.701  -8.692
  151    HE2  LYS  22           1HE      LYS  22  -3.719   1.333  -8.968
  152    HE3  LYS  22           2HE      LYS  22  -5.424   1.802  -8.879
  153    HZ1  LYS  22           3HZ      LYS  22  -5.089   3.143 -10.890
  154    HZ2  LYS  22           1HZ      LYS  22  -4.686   1.590 -11.183
  155    HZ3  LYS  22           2HZ      LYS  22  -3.516   2.706 -10.974
  156    H    SER  23           H        SER  23  -7.001   4.572  -4.200
  157    HA   SER  23           HA       SER  23  -5.091   6.674  -3.670
  158    HB2  SER  23           1HB      SER  23  -7.053   7.981  -2.987
  159    HB3  SER  23           2HB      SER  23  -7.304   7.166  -4.541
  160    HG   SER  23           HG       SER  23  -9.116   6.941  -3.147
  161    H    ASN  24           H        ASN  24  -6.570   4.228  -1.611
  162    HA   ASN  24           HA       ASN  24  -5.781   5.569   0.871
  163    HB2  ASN  24           1HB      ASN  24  -7.777   4.033   0.644
  164    HB3  ASN  24           2HB      ASN  24  -6.648   2.687   0.446
  165   HD21  ASN  24          1HD2      ASN  24  -6.877   1.573   2.333
  166   HD22  ASN  24          2HD2      ASN  24  -6.657   2.289   3.932
  167    H    LEU  25           H        LEU  25  -4.496   2.743  -1.045
  168    HA   LEU  25           HA       LEU  25  -2.144   2.487   0.486
  169    HB2  LEU  25           1HB      LEU  25  -2.676   0.827  -1.208
  170    HB3  LEU  25           2HB      LEU  25  -2.512   2.011  -2.502
  171    HG   LEU  25           HG       LEU  25  -0.147   2.209  -2.039
  172   HD11  LEU  25          1HD1      LEU  25  -0.116   1.843   0.418
  173   HD12  LEU  25          2HD1      LEU  25   1.034   0.798  -0.398
  174   HD13  LEU  25          3HD1      LEU  25  -0.523   0.131   0.144
  175   HD21  LEU  25          3HD2      LEU  25  -0.862  -0.714  -2.188
  176   HD22  LEU  25          1HD2      LEU  25   0.672   0.023  -2.682
  177   HD23  LEU  25          2HD2      LEU  25  -0.812   0.420  -3.566
  178    H    LYS  26           H        LYS  26  -2.686   4.604  -2.299
  179    HA   LYS  26           HA       LYS  26  -0.202   5.927  -2.507
  180    HB2  LYS  26           1HB      LYS  26  -2.201   6.291  -3.966
  181    HB3  LYS  26           2HB      LYS  26  -2.988   7.137  -2.641
  182    HG2  LYS  26           1HG      LYS  26  -0.849   8.743  -2.782
  183    HG3  LYS  26           2HG      LYS  26  -0.687   8.011  -4.379
  184    HD2  LYS  26           1HD      LYS  26  -1.978   9.958  -4.719
  185    HD3  LYS  26           2HD      LYS  26  -3.169   8.637  -4.729
  186    HE2  LYS  26           1HE      LYS  26  -3.765   9.133  -2.381
  187    HE3  LYS  26           2HE      LYS  26  -2.508  10.375  -2.306
  188    HZ1  LYS  26           3HZ      LYS  26  -4.874  10.484  -4.104
  189    HZ2  LYS  26           1HZ      LYS  26  -3.715  11.629  -4.001
  190    HZ3  LYS  26           2HZ      LYS  26  -4.695  11.348  -2.730
  191    H    ALA  27           H        ALA  27  -2.791   6.586  -0.194
  192    HA   ALA  27           HA       ALA  27  -1.494   8.830   1.111
  193    HB1  ALA  27           1HB      ALA  27  -3.945   8.474   1.123
  194    HB2  ALA  27           2HB      ALA  27  -3.728   7.015   2.117
  195    HB3  ALA  27           3HB      ALA  27  -3.283   8.603   2.765
  196    H    HIS  28           H        HIS  28  -1.597   5.317   1.807
  197    HA   HIS  28           HA       HIS  28   0.010   5.390   4.196
  198    HB2  HIS  28           1HB      HIS  28  -1.398   3.549   3.804
  199    HB3  HIS  28           2HB      HIS  28  -0.738   3.258   2.201
  200    HD1  HIS  28           1HD      HIS  28   0.125   2.659   5.875
  201    HD2  HIS  28           2HD      HIS  28   1.595   1.983   1.995
  202    HE1  HIS  28           1HE      HIS  28   2.068   1.051   6.142
  203    H    MET  29           H        MET  29   0.856   5.062   0.727
  204    HA   MET  29           HA       MET  29   3.667   4.631   1.074
  205    HB2  MET  29           1HB      MET  29   2.226   5.969  -1.240
  206    HB3  MET  29           2HB      MET  29   3.844   5.291  -1.285
  207    HG2  MET  29           1HG      MET  29   1.835   3.286  -0.414
  208    HG3  MET  29           2HG      MET  29   1.438   4.045  -1.916
  209    HE1  MET  29           3HE      MET  29   5.039   3.143  -0.596
  210    HE2  MET  29           1HE      MET  29   3.860   1.946  -0.010
  211    HE3  MET  29           2HE      MET  29   5.106   1.460  -1.186
  212    H    ASN  30           H        ASN  30   1.738   7.622   0.999
  213    HA   ASN  30           HA       ASN  30   4.002   9.424   1.053
  214    HB2  ASN  30           1HB      ASN  30   1.037   9.688   1.581
  215    HB3  ASN  30           2HB      ASN  30   2.130  10.970   2.082
  216   HD21  ASN  30          1HD2      ASN  30   1.088   9.113  -0.818
  217   HD22  ASN  30          2HD2      ASN  30   1.572  10.392  -1.928
  218    H    ARG  31           H        ARG  31   2.513   7.494   3.611
  219    HA   ARG  31           HA       ARG  31   3.781   8.949   5.817
  220    HB2  ARG  31           1HB      ARG  31   2.835   6.056   5.784
  221    HB3  ARG  31           2HB      ARG  31   3.221   7.033   7.193
  222    HG2  ARG  31           1HG      ARG  31   1.349   8.576   6.680
  223    HG3  ARG  31           2HG      ARG  31   0.933   7.594   5.265
  224    HD2  ARG  31           1HD      ARG  31   0.588   5.624   6.749
  225    HD3  ARG  31           2HD      ARG  31   0.905   6.664   8.156
  226    HE   ARG  31           HE       ARG  31  -1.144   7.855   6.562
  227   HH11  ARG  31          2HH2      ARG  31  -0.780   5.114   8.715
  228   HH12  ARG  31          1HH2      ARG  31  -2.475   5.090   9.118
  229   HH21  ARG  31          2HH1      ARG  31  -3.292   7.775   7.130
  230   HH22  ARG  31          1HH1      ARG  31  -3.852   6.562   8.242
  231    H    HIS  32           H        HIS  32   4.706   6.153   3.802
  232    HA   HIS  32           HA       HIS  32   7.262   5.720   5.094
  233    HB2  HIS  32           1HB      HIS  32   6.243   5.077   2.297
  234    HB3  HIS  32           2HB      HIS  32   7.845   4.654   2.869
  235    HD1  HIS  32           1HD      HIS  32   7.850   2.967   5.139
  236    HD2  HIS  32           2HD      HIS  32   4.501   3.175   2.609
  237    HE1  HIS  32           1HE      HIS  32   6.611   0.780   5.462
  238    H    SER  33           H        SER  33   6.161   7.945   2.577
  239    HA   SER  33           HA       SER  33   8.804   8.810   1.781
  240    HB2  SER  33           1HB      SER  33   6.662   8.688   0.381
  241    HB3  SER  33           2HB      SER  33   6.197  10.213   1.151
  242    HG   SER  33           HG       SER  33   8.187  11.093   0.355
  243    H    THR  34           H        THR  34   7.630   9.402   4.701
  244    HA   THR  34           HA       THR  34   8.963  12.030   4.913
  245    HB   THR  34           HB       THR  34   6.523  12.466   4.624
  246    HG1  THR  34           1HG      THR  34   6.507  13.955   6.277
  247   HG21  THR  34          3HG2      THR  34   5.605  10.548   5.914
  248   HG22  THR  34          1HG2      THR  34   4.992  12.106   6.478
  249   HG23  THR  34          2HG2      THR  34   6.243  11.258   7.412
  250    H    GLU  35           H        GLU  35   9.286  12.646   7.249
  251    HA   GLU  35           HA       GLU  35   9.819  10.317   9.026
  252    HB2  GLU  35           1HB      GLU  35  11.929  12.322   8.127
  253    HB3  GLU  35           2HB      GLU  35  12.116  11.172   9.454
  254    HG2  GLU  35           1HG      GLU  35  11.772   9.285   7.856
  255    HG3  GLU  35           2HG      GLU  35  11.696  10.445   6.524
  256    H    LYS  36           H        LYS  36  10.124  10.828  11.211
  257    HA   LYS  36           HA       LYS  36   9.791  13.575  12.191
  258    HB2  LYS  36           1HB      LYS  36   7.873  13.056  13.603
  259    HB3  LYS  36           2HB      LYS  36   7.479  12.906  11.893
  260    HG2  LYS  36           1HG      LYS  36   7.630  10.425  12.063
  261    HG3  LYS  36           2HG      LYS  36   8.103  10.569  13.760
  262    HD2  LYS  36           1HD      LYS  36   5.777   9.977  13.649
  263    HD3  LYS  36           2HD      LYS  36   5.919  11.621  14.287
  264    HE2  LYS  36           1HE      LYS  36   5.359  12.539  12.043
  265    HE3  LYS  36           2HE      LYS  36   5.259  10.898  11.393
  266    HZ1  LYS  36           3HZ      LYS  36   3.504  11.997  13.526
  267    HZ2  LYS  36           1HZ      LYS  36   3.405  10.481  12.923
  268    HZ3  LYS  36           2HZ      LYS  36   3.064  11.763  11.974
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1   0.529 -22.628   9.008
    2    H2   GLY   1           2H       GLY   1   2.113 -22.311   8.733
    3    H3   GLY   1           3H       GLY   1   1.028 -22.185   7.512
    4    HA2  GLY   1           1HA      GLY   1   1.099 -20.475   9.910
    5    HA3  GLY   1           2HA      GLY   1   1.661 -19.997   8.299
    6    H    SER   2           H        SER   2  -0.529 -18.931  10.073
    7    HA   SER   2           HA       SER   2  -3.072 -19.551   8.853
    8    HB2  SER   2           1HB      SER   2  -2.255 -17.172  10.560
    9    HB3  SER   2           2HB      SER   2  -3.914 -17.683  10.193
   10    HG   SER   2           HG       SER   2  -3.188 -18.470  12.232
   11    H    SER   3           H        SER   3  -4.424 -18.216   7.614
   12    HA   SER   3           HA       SER   3  -3.205 -15.975   6.061
   13    HB2  SER   3           1HB      SER   3  -4.775 -18.307   4.896
   14    HB3  SER   3           2HB      SER   3  -4.296 -16.847   4.016
   15    HG   SER   3           HG       SER   3  -2.835 -18.599   3.695
   16    H    GLY   4           H        GLY   4  -4.656 -14.419   5.290
   17    HA2  GLY   4           1HA      GLY   4  -7.084 -13.995   6.825
   18    HA3  GLY   4           2HA      GLY   4  -6.471 -12.987   5.520
   19    H    SER   5           H        SER   5  -9.218 -13.695   5.996
   20    HA   SER   5           HA       SER   5 -10.121 -15.815   4.316
   21    HB2  SER   5           1HB      SER   5 -11.655 -13.374   5.278
   22    HB3  SER   5           2HB      SER   5 -12.346 -14.904   4.706
   23    HG   SER   5           HG       SER   5 -12.239 -14.813   6.999
   24    H    SER   6           H        SER   6  -9.332 -12.504   3.508
   25    HA   SER   6           HA       SER   6 -10.168 -12.925   0.676
   26    HB2  SER   6           1HB      SER   6 -10.795 -10.440   2.319
   27    HB3  SER   6           2HB      SER   6 -11.056 -10.628   0.576
   28    HG   SER   6           HG       SER   6 -12.965 -11.028   1.796
   29    H    GLY   7           H        GLY   7  -8.799 -12.119  -0.809
   30    HA2  GLY   7           1HA      GLY   7  -6.179 -11.096  -0.034
   31    HA3  GLY   7           2HA      GLY   7  -6.759 -11.407  -1.668
   32    H    LYS   8           H        LYS   8  -5.206  -9.218  -1.156
   33    HA   LYS   8           HA       LYS   8  -7.086  -6.926  -1.448
   34    HB2  LYS   8           1HB      LYS   8  -4.467  -6.960   0.081
   35    HB3  LYS   8           2HB      LYS   8  -5.278  -5.488  -0.452
   36    HG2  LYS   8           1HG      LYS   8  -6.050  -5.613   1.690
   37    HG3  LYS   8           2HG      LYS   8  -7.365  -6.397   0.820
   38    HD2  LYS   8           1HD      LYS   8  -6.313  -8.636   1.449
   39    HD3  LYS   8           2HD      LYS   8  -5.125  -7.745   2.408
   40    HE2  LYS   8           1HE      LYS   8  -6.890  -6.852   3.839
   41    HE3  LYS   8           2HE      LYS   8  -8.143  -7.508   2.775
   42    HZ1  LYS   8           3HZ      LYS   8  -7.799  -8.947   4.693
   43    HZ2  LYS   8           1HZ      LYS   8  -6.221  -9.158   4.325
   44    HZ3  LYS   8           2HZ      LYS   8  -7.382  -9.743   3.322
   45    HA   PRO   9           HA       PRO   9  -5.055  -6.423  -5.333
   46    HB2  PRO   9           1HB      PRO   9  -6.018  -3.990  -6.127
   47    HB3  PRO   9           2HB      PRO   9  -7.024  -5.470  -6.033
   48    HG2  PRO   9           1HG      PRO   9  -6.687  -3.341  -3.884
   49    HG3  PRO   9           2HG      PRO   9  -8.229  -3.954  -4.589
   50    HD2  PRO   9           1HD      PRO   9  -7.181  -4.896  -2.285
   51    HD3  PRO   9           2HD      PRO   9  -7.943  -6.028  -3.460
   52    H    PHE  10           H        PHE  10  -4.786  -3.681  -3.008
   53    HA   PHE  10           HA       PHE  10  -2.230  -2.806  -4.299
   54    HB2  PHE  10           1HB      PHE  10  -4.121  -1.182  -2.603
   55    HB3  PHE  10           2HB      PHE  10  -2.740  -0.613  -3.506
   56    HD1  PHE  10           1HD      PHE  10  -2.684  -1.077  -6.077
   57    HD2  PHE  10           2HD      PHE  10  -6.258  -1.084  -3.676
   58    HE1  PHE  10           1HE      PHE  10  -4.050  -0.853  -8.122
   59    HE2  PHE  10           2HE      PHE  10  -7.642  -0.901  -5.734
   60    HZ   PHE  10           HZ       PHE  10  -6.541  -0.760  -7.964
   61    H    LYS  11           H        LYS  11  -0.926  -4.099  -3.421
   62    HA   LYS  11           HA       LYS  11  -0.428  -4.148  -0.490
   63    HB2  LYS  11           1HB      LYS  11  -0.636  -6.223  -2.025
   64    HB3  LYS  11           2HB      LYS  11   0.949  -5.798  -2.646
   65    HG2  LYS  11           1HG      LYS  11   0.261  -6.443   0.260
   66    HG3  LYS  11           2HG      LYS  11   0.935  -7.565  -0.914
   67    HD2  LYS  11           1HD      LYS  11   2.964  -6.067  -1.097
   68    HD3  LYS  11           2HD      LYS  11   2.301  -5.128   0.273
   69    HE2  LYS  11           1HE      LYS  11   2.229  -7.153   1.657
   70    HE3  LYS  11           2HE      LYS  11   2.857  -8.124   0.322
   71    HZ1  LYS  11           3HZ      LYS  11   4.321  -5.849   1.544
   72    HZ2  LYS  11           1HZ      LYS  11   4.920  -6.902   0.434
   73    HZ3  LYS  11           2HZ      LYS  11   4.550  -7.424   1.958
   74    H    CYS  12           H        CYS  12   0.962  -2.821   0.297
   75    HA   CYS  12           HA       CYS  12   2.535  -0.868  -0.933
   76    HB2  CYS  12           1HB      CYS  12   1.857  -0.834   1.372
   77    HB3  CYS  12           2HB      CYS  12   2.759  -2.312   1.716
   78    H    SER  13           H        SER  13   4.593  -0.646  -1.604
   79    HA   SER  13           HA       SER  13   6.006  -3.005  -2.563
   80    HB2  SER  13           1HB      SER  13   6.815  -0.072  -2.629
   81    HB3  SER  13           2HB      SER  13   7.546  -1.388  -3.569
   82    HG   SER  13           HG       SER  13   5.999  -0.232  -4.800
   83    H    LEU  14           H        LEU  14   6.062  -1.442   0.424
   84    HA   LEU  14           HA       LEU  14   8.965  -2.034   0.951
   85    HB2  LEU  14           1HB      LEU  14   7.181   0.083   2.199
   86    HB3  LEU  14           2HB      LEU  14   8.909  -0.101   2.431
   87    HG   LEU  14           HG       LEU  14   7.597   0.607  -0.236
   88   HD11  LEU  14          1HD1      LEU  14   8.999   2.363   1.799
   89   HD12  LEU  14          2HD1      LEU  14   7.279   2.376   1.338
   90   HD13  LEU  14          3HD1      LEU  14   8.504   2.865   0.160
   91   HD21  LEU  14          3HD2      LEU  14   9.882   1.219  -0.938
   92   HD22  LEU  14          1HD2      LEU  14   9.778  -0.498  -0.536
   93   HD23  LEU  14          2HD2      LEU  14  10.523   0.634   0.618
   94    H    CYS  15           H        CYS  15   5.718  -2.000   2.361
   95    HA   CYS  15           HA       CYS  15   6.644  -3.876   4.496
   96    HB2  CYS  15           1HB      CYS  15   5.541  -2.731   6.172
   97    HB3  CYS  15           2HB      CYS  15   6.357  -1.495   5.253
   98    H    GLU  16           H        GLU  16   4.482  -4.585   5.728
   99    HA   GLU  16           HA       GLU  16   3.107  -6.228   3.699
  100    HB2  GLU  16           1HB      GLU  16   4.340  -7.061   5.887
  101    HB3  GLU  16           2HB      GLU  16   2.825  -6.641   6.669
  102    HG2  GLU  16           1HG      GLU  16   2.894  -9.005   6.121
  103    HG3  GLU  16           2HG      GLU  16   1.623  -8.230   5.189
  104    H    TYR  17           H        TYR  17   2.442  -3.301   4.523
  105    HA   TYR  17           HA       TYR  17  -0.381  -3.379   5.171
  106    HB2  TYR  17           1HB      TYR  17   1.006  -1.395   5.433
  107    HB3  TYR  17           2HB      TYR  17   1.381  -1.367   3.728
  108    HD1  TYR  17           1HD      TYR  17  -0.376  -0.691   2.068
  109    HD2  TYR  17           2HD      TYR  17  -1.118  -0.533   6.309
  110    HE1  TYR  17           1HE      TYR  17  -2.349   0.793   1.667
  111    HE2  TYR  17           2HE      TYR  17  -3.069   0.965   5.905
  112    HH   TYR  17           HH       TYR  17  -4.368   2.023   4.346
  113    H    ALA  18           H        ALA  18  -2.158  -3.555   3.936
  114    HA   ALA  18           HA       ALA  18  -1.994  -3.113   1.096
  115    HB1  ALA  18           1HB      ALA  18  -2.907  -5.200   0.334
  116    HB2  ALA  18           2HB      ALA  18  -1.474  -5.567   1.329
  117    HB3  ALA  18           3HB      ALA  18  -3.091  -5.795   2.012
  118    H    THR  19           H        THR  19  -3.984  -2.737   0.074
  119    HA   THR  19           HA       THR  19  -6.443  -2.566   1.743
  120    HB   THR  19           HB       THR  19  -5.213  -0.467   2.100
  121    HG1  THR  19           1HG      THR  19  -7.337  -0.192   2.140
  122   HG21  THR  19          3HG2      THR  19  -5.411   0.024  -0.883
  123   HG22  THR  19          1HG2      THR  19  -3.924  -0.423  -0.017
  124   HG23  THR  19          2HG2      THR  19  -4.731   1.069   0.389
  125    H    ARG  20           H        ARG  20  -8.338  -1.931   0.520
  126    HA   ARG  20           HA       ARG  20  -8.505  -3.327  -2.082
  127    HB2  ARG  20           1HB      ARG  20 -10.618  -2.228  -0.211
  128    HB3  ARG  20           2HB      ARG  20 -10.973  -3.041  -1.723
  129    HG2  ARG  20           1HG      ARG  20  -9.531  -4.303   0.652
  130    HG3  ARG  20           2HG      ARG  20 -11.230  -4.507   0.259
  131    HD2  ARG  20           1HD      ARG  20  -8.894  -5.483  -1.437
  132    HD3  ARG  20           2HD      ARG  20  -9.922  -6.461  -0.403
  133    HE   ARG  20           HE       ARG  20 -11.459  -4.983  -2.372
  134   HH11  ARG  20          1HH1      ARG  20  -9.648  -8.004  -1.982
  135   HH12  ARG  20          2HH1      ARG  20 -10.433  -8.703  -3.366
  136   HH21  ARG  20          2HH2      ARG  20 -12.401  -5.996  -4.087
  137   HH22  ARG  20          1HH2      ARG  20 -11.948  -7.622  -4.500
  138    H    SER  21           H        SER  21  -8.019  -0.101  -1.200
  139    HA   SER  21           HA       SER  21  -8.955   0.813  -3.903
  140    HB2  SER  21           1HB      SER  21  -9.203   2.347  -1.294
  141    HB3  SER  21           2HB      SER  21  -9.606   2.955  -2.907
  142    HG   SER  21           HG       SER  21 -11.457   2.165  -1.797
  143    H    LYS  22           H        LYS  22  -7.465   1.855  -5.094
  144    HA   LYS  22           HA       LYS  22  -4.763   1.991  -4.262
  145    HB2  LYS  22           1HB      LYS  22  -4.302   3.029  -6.387
  146    HB3  LYS  22           2HB      LYS  22  -5.468   1.737  -6.578
  147    HG2  LYS  22           1HG      LYS  22  -7.316   3.405  -6.736
  148    HG3  LYS  22           2HG      LYS  22  -6.146   4.709  -6.510
  149    HD2  LYS  22           1HD      LYS  22  -6.675   4.531  -8.848
  150    HD3  LYS  22           2HD      LYS  22  -4.989   4.055  -8.599
  151    HE2  LYS  22           1HE      LYS  22  -5.641   1.662  -8.717
  152    HE3  LYS  22           2HE      LYS  22  -7.339   2.125  -8.901
  153    HZ1  LYS  22           3HZ      LYS  22  -6.741   3.218 -10.998
  154    HZ2  LYS  22           1HZ      LYS  22  -6.310   1.647 -11.049
  155    HZ3  LYS  22           2HZ      LYS  22  -5.173   2.793 -10.826
  156    H    SER  23           H        SER  23  -7.227   4.452  -3.990
  157    HA   SER  23           HA       SER  23  -5.585   6.728  -3.417
  158    HB2  SER  23           1HB      SER  23  -7.707   7.557  -2.328
  159    HB3  SER  23           2HB      SER  23  -7.878   7.026  -4.012
  160    HG   SER  23           HG       SER  23  -9.548   6.201  -2.640
  161    H    ASN  24           H        ASN  24  -6.794   4.080  -1.345
  162    HA   ASN  24           HA       ASN  24  -5.898   5.261   1.162
  163    HB2  ASN  24           1HB      ASN  24  -6.566   2.406   0.352
  164    HB3  ASN  24           2HB      ASN  24  -6.161   2.887   1.990
  165   HD21  ASN  24          1HD2      ASN  24  -8.485   1.578   1.350
  166   HD22  ASN  24          2HD2      ASN  24  -9.840   2.670   1.658
  167    H    LEU  25           H        LEU  25  -4.489   2.753  -1.051
  168    HA   LEU  25           HA       LEU  25  -2.099   2.508   0.428
  169    HB2  LEU  25           1HB      LEU  25  -2.712   0.865  -1.305
  170    HB3  LEU  25           2HB      LEU  25  -2.490   2.075  -2.565
  171    HG   LEU  25           HG       LEU  25  -0.141   2.252  -2.056
  172   HD11  LEU  25          1HD1      LEU  25  -0.551   0.141   0.078
  173   HD12  LEU  25          2HD1      LEU  25  -0.089   1.839   0.371
  174   HD13  LEU  25          3HD1      LEU  25   1.023   0.764  -0.458
  175   HD21  LEU  25          3HD2      LEU  25  -0.769   0.485  -3.628
  176   HD22  LEU  25          1HD2      LEU  25  -0.807  -0.675  -2.266
  177   HD23  LEU  25          2HD2      LEU  25   0.713   0.100  -2.730
  178    H    LYS  26           H        LYS  26  -2.772   4.673  -2.334
  179    HA   LYS  26           HA       LYS  26  -0.312   6.003  -2.533
  180    HB2  LYS  26           1HB      LYS  26  -2.090   6.218  -4.130
  181    HB3  LYS  26           2HB      LYS  26  -3.205   6.877  -2.938
  182    HG2  LYS  26           1HG      LYS  26  -0.660   8.389  -3.436
  183    HG3  LYS  26           2HG      LYS  26  -1.867   8.392  -4.721
  184    HD2  LYS  26           1HD      LYS  26  -3.513   9.459  -3.436
  185    HD3  LYS  26           2HD      LYS  26  -2.742   9.061  -1.888
  186    HE2  LYS  26           1HE      LYS  26  -0.851  10.467  -2.379
  187    HE3  LYS  26           2HE      LYS  26  -1.484  10.841  -3.992
  188    HZ1  LYS  26           3HZ      LYS  26  -3.379  11.951  -2.919
  189    HZ2  LYS  26           1HZ      LYS  26  -1.989  12.633  -2.413
  190    HZ3  LYS  26           2HZ      LYS  26  -2.798  11.613  -1.429
  191    H    ALA  27           H        ALA  27  -2.854   6.491  -0.105
  192    HA   ALA  27           HA       ALA  27  -1.583   8.842   1.076
  193    HB1  ALA  27           1HB      ALA  27  -3.325   8.577   2.793
  194    HB2  ALA  27           2HB      ALA  27  -4.030   8.444   1.167
  195    HB3  ALA  27           3HB      ALA  27  -3.755   6.984   2.143
  196    H    HIS  28           H        HIS  28  -1.625   5.330   1.752
  197    HA   HIS  28           HA       HIS  28  -0.035   5.376   4.142
  198    HB2  HIS  28           1HB      HIS  28  -1.372   3.497   3.685
  199    HB3  HIS  28           2HB      HIS  28  -0.693   3.273   2.082
  200    HD1  HIS  28           1HD      HIS  28   0.178   2.634   5.744
  201    HD2  HIS  28           2HD      HIS  28   1.699   2.113   1.857
  202    HE1  HIS  28           1HE      HIS  28   2.194   1.123   5.996
  203    H    MET  29           H        MET  29   0.914   5.035   0.667
  204    HA   MET  29           HA       MET  29   3.704   4.706   1.151
  205    HB2  MET  29           1HB      MET  29   2.299   5.891  -1.279
  206    HB3  MET  29           2HB      MET  29   3.979   5.351  -1.223
  207    HG2  MET  29           1HG      MET  29   1.491   3.648  -0.955
  208    HG3  MET  29           2HG      MET  29   2.643   3.618  -2.250
  209    HE1  MET  29           3HE      MET  29   5.472   3.540  -0.687
  210    HE2  MET  29           1HE      MET  29   5.676   1.768  -0.641
  211    HE3  MET  29           2HE      MET  29   5.019   2.548  -2.100
  212    H    ASN  30           H        ASN  30   1.779   7.636   1.128
  213    HA   ASN  30           HA       ASN  30   4.038   9.463   1.076
  214    HB2  ASN  30           1HB      ASN  30   1.093   9.726   1.664
  215    HB3  ASN  30           2HB      ASN  30   2.197  11.001   2.170
  216   HD21  ASN  30          1HD2      ASN  30   1.031   9.240  -0.741
  217   HD22  ASN  30          2HD2      ASN  30   1.579  10.504  -1.834
  218    H    ARG  31           H        ARG  31   2.767   7.419   3.615
  219    HA   ARG  31           HA       ARG  31   4.056   8.880   5.819
  220    HB2  ARG  31           1HB      ARG  31   3.167   5.978   5.746
  221    HB3  ARG  31           2HB      ARG  31   3.587   6.938   7.159
  222    HG2  ARG  31           1HG      ARG  31   1.671   8.473   6.714
  223    HG3  ARG  31           2HG      ARG  31   1.219   7.491   5.315
  224    HD2  ARG  31           1HD      ARG  31  -0.194   6.827   7.124
  225    HD3  ARG  31           2HD      ARG  31   0.935   5.518   6.785
  226    HE   ARG  31           HE       ARG  31   1.907   5.781   8.878
  227   HH11  ARG  31          2HH1      ARG  31  -0.198   8.546   8.398
  228   HH12  ARG  31          1HH1      ARG  31  -0.044   9.058  10.056
  229   HH21  ARG  31          2HH2      ARG  31   2.064   6.501  10.967
  230   HH22  ARG  31          1HH2      ARG  31   1.204   7.928  11.463
  231    H    HIS  32           H        HIS  32   4.964   6.280   3.592
  232    HA   HIS  32           HA       HIS  32   7.570   5.809   4.822
  233    HB2  HIS  32           1HB      HIS  32   6.407   5.064   2.108
  234    HB3  HIS  32           2HB      HIS  32   8.009   4.607   2.655
  235    HD1  HIS  32           1HD      HIS  32   7.923   3.110   5.130
  236    HD2  HIS  32           2HD      HIS  32   4.725   3.142   2.411
  237    HE1  HIS  32           1HE      HIS  32   6.663   0.946   5.528
  238    H    SER  33           H        SER  33   6.309   8.141   2.563
  239    HA   SER  33           HA       SER  33   8.767   8.738   1.183
  240    HB2  SER  33           1HB      SER  33   6.121  10.217   1.251
  241    HB3  SER  33           2HB      SER  33   7.452  10.570   0.147
  242    HG   SER  33           HG       SER  33   6.051   8.088   0.327
  243    H    THR  34           H        THR  34   9.042   9.077   4.097
  244    HA   THR  34           HA       THR  34   9.484  11.958   4.542
  245    HB   THR  34           HB       THR  34  10.460  11.152   6.713
  246    HG1  THR  34           1HG      THR  34  10.118   8.987   7.230
  247   HG21  THR  34          3HG2      THR  34   8.078  11.797   6.547
  248   HG22  THR  34          1HG2      THR  34   8.320  10.479   7.705
  249   HG23  THR  34          2HG2      THR  34   7.652  10.133   6.095
  250    H    GLU  35           H        GLU  35  11.301   9.326   3.248
  251    HA   GLU  35           HA       GLU  35  13.915  10.604   3.704
  252    HB2  GLU  35           1HB      GLU  35  14.855   8.665   2.654
  253    HB3  GLU  35           2HB      GLU  35  13.702   8.198   3.904
  254    HG2  GLU  35           1HG      GLU  35  12.005   7.682   2.175
  255    HG3  GLU  35           2HG      GLU  35  13.117   8.205   0.908
  256    H    LYS  36           H        LYS  36  15.422  10.993   1.954
  257    HA   LYS  36           HA       LYS  36  14.249  11.942  -0.620
  258    HB2  LYS  36           1HB      LYS  36  16.069  13.548   1.225
  259    HB3  LYS  36           2HB      LYS  36  15.663  13.981  -0.439
  260    HG2  LYS  36           1HG      LYS  36  13.250  14.105   0.180
  261    HG3  LYS  36           2HG      LYS  36  13.677  13.746   1.867
  262    HD2  LYS  36           1HD      LYS  36  15.095  15.781   1.946
  263    HD3  LYS  36           2HD      LYS  36  14.647  16.153   0.265
  264    HE2  LYS  36           1HE      LYS  36  12.256  16.268   0.931
  265    HE3  LYS  36           2HE      LYS  36  12.699  15.895   2.602
  266    HZ1  LYS  36           3HZ      LYS  36  12.429  18.285   2.271
  267    HZ2  LYS  36           1HZ      LYS  36  13.573  18.313   1.109
  268    HZ3  LYS  36           2HZ      LYS  36  13.983  17.968   2.654
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1 -14.240 -24.843  -1.340
    2    H2   GLY   1           2H       GLY   1 -13.414 -25.171   0.036
    3    H3   GLY   1           3H       GLY   1 -13.671 -23.616  -0.416
    4    HA2  GLY   1           1HA      GLY   1 -15.770 -25.526   0.381
    5    HA3  GLY   1           2HA      GLY   1 -15.142 -24.218   1.399
    6    H    SER   2           H        SER   2 -17.892 -24.646   0.501
    7    HA   SER   2           HA       SER   2 -18.636 -23.115  -1.729
    8    HB2  SER   2           1HB      SER   2 -20.288 -23.677   0.760
    9    HB3  SER   2           2HB      SER   2 -20.901 -23.284  -0.858
   10    HG   SER   2           HG       SER   2 -20.911 -25.548  -0.458
   11    H    SER   3           H        SER   3 -17.710 -21.869   1.379
   12    HA   SER   3           HA       SER   3 -19.046 -19.291   1.171
   13    HB2  SER   3           1HB      SER   3 -17.540 -18.728   3.087
   14    HB3  SER   3           2HB      SER   3 -18.547 -20.163   3.341
   15    HG   SER   3           HG       SER   3 -16.349 -20.496   3.970
   16    H    GLY   4           H        GLY   4 -16.326 -20.589  -0.459
   17    HA2  GLY   4           1HA      GLY   4 -14.942 -19.611  -2.034
   18    HA3  GLY   4           2HA      GLY   4 -15.744 -18.070  -1.760
   19    H    SER   5           H        SER   5 -13.694 -17.062  -1.971
   20    HA   SER   5           HA       SER   5 -12.082 -16.924   0.507
   21    HB2  SER   5           1HB      SER   5  -9.975 -17.111  -0.731
   22    HB3  SER   5           2HB      SER   5 -10.931 -18.592  -0.858
   23    HG   SER   5           HG       SER   5 -10.065 -17.953  -2.886
   24    H    SER   6           H        SER   6 -10.506 -15.097   0.438
   25    HA   SER   6           HA       SER   6 -11.274 -12.804  -1.279
   26    HB2  SER   6           1HB      SER   6 -11.544 -11.344   0.673
   27    HB3  SER   6           2HB      SER   6 -12.737 -12.650   0.666
   28    HG   SER   6           HG       SER   6 -11.800 -12.362   2.740
   29    H    GLY   7           H        GLY   7  -9.837 -10.920  -0.987
   30    HA2  GLY   7           1HA      GLY   7  -7.278 -11.049   0.273
   31    HA3  GLY   7           2HA      GLY   7  -7.121 -11.523  -1.424
   32    H    LYS   8           H        LYS   8  -5.700  -9.431  -0.966
   33    HA   LYS   8           HA       LYS   8  -7.322  -6.999  -1.521
   34    HB2  LYS   8           1HB      LYS   8  -4.792  -7.334   0.088
   35    HB3  LYS   8           2HB      LYS   8  -5.396  -5.758  -0.450
   36    HG2  LYS   8           1HG      LYS   8  -7.512  -6.082   0.726
   37    HG3  LYS   8           2HG      LYS   8  -7.034  -7.717   1.228
   38    HD2  LYS   8           1HD      LYS   8  -5.155  -6.819   2.522
   39    HD3  LYS   8           2HD      LYS   8  -5.518  -5.189   1.917
   40    HE2  LYS   8           1HE      LYS   8  -7.744  -5.288   3.027
   41    HE3  LYS   8           2HE      LYS   8  -7.313  -6.869   3.700
   42    HZ1  LYS   8           3HZ      LYS   8  -5.501  -5.819   4.906
   43    HZ2  LYS   8           1HZ      LYS   8  -6.860  -4.984   5.244
   44    HZ3  LYS   8           2HZ      LYS   8  -5.757  -4.369   4.195
   45    HA   PRO   9           HA       PRO   9  -5.115  -6.533  -5.317
   46    HB2  PRO   9           1HB      PRO   9  -5.951  -4.059  -6.093
   47    HB3  PRO   9           2HB      PRO   9  -7.032  -5.488  -6.031
   48    HG2  PRO   9           1HG      PRO   9  -6.637  -3.389  -3.857
   49    HG3  PRO   9           2HG      PRO   9  -8.187  -3.927  -4.599
   50    HD2  PRO   9           1HD      PRO   9  -7.223  -4.956  -2.274
   51    HD3  PRO   9           2HD      PRO   9  -8.033  -6.013  -3.488
   52    H    PHE  10           H        PHE  10  -4.814  -3.744  -3.007
   53    HA   PHE  10           HA       PHE  10  -2.218  -2.989  -4.282
   54    HB2  PHE  10           1HB      PHE  10  -4.074  -1.252  -2.663
   55    HB3  PHE  10           2HB      PHE  10  -2.681  -0.764  -3.588
   56    HD1  PHE  10           1HD      PHE  10  -2.633  -1.325  -6.133
   57    HD2  PHE  10           2HD      PHE  10  -6.211  -1.114  -3.745
   58    HE1  PHE  10           1HE      PHE  10  -3.979  -1.091  -8.187
   59    HE2  PHE  10           2HE      PHE  10  -7.579  -0.926  -5.814
   60    HZ   PHE  10           HZ       PHE  10  -6.465  -0.892  -8.042
   61    H    LYS  11           H        LYS  11  -0.962  -4.288  -3.330
   62    HA   LYS  11           HA       LYS  11  -0.450  -4.187  -0.406
   63    HB2  LYS  11           1HB      LYS  11  -0.655  -6.341  -1.728
   64    HB3  LYS  11           2HB      LYS  11   0.820  -5.910  -2.573
   65    HG2  LYS  11           1HG      LYS  11   0.531  -6.470   0.418
   66    HG3  LYS  11           2HG      LYS  11   1.167  -7.565  -0.812
   67    HD2  LYS  11           1HD      LYS  11   2.924  -5.709  -1.284
   68    HD3  LYS  11           2HD      LYS  11   2.408  -5.046   0.290
   69    HE2  LYS  11           1HE      LYS  11   2.968  -7.190   1.376
   70    HE3  LYS  11           2HE      LYS  11   3.484  -7.852  -0.186
   71    HZ1  LYS  11           3HZ      LYS  11   5.383  -6.969   1.064
   72    HZ2  LYS  11           1HZ      LYS  11   4.674  -5.486   1.155
   73    HZ3  LYS  11           2HZ      LYS  11   5.159  -6.065  -0.289
   74    H    CYS  12           H        CYS  12   0.927  -2.827   0.334
   75    HA   CYS  12           HA       CYS  12   2.401  -0.842  -0.947
   76    HB2  CYS  12           1HB      CYS  12   1.732  -0.865   1.389
   77    HB3  CYS  12           2HB      CYS  12   2.784  -2.247   1.715
   78    H    SER  13           H        SER  13   4.323  -0.641  -1.902
   79    HA   SER  13           HA       SER  13   5.882  -2.952  -2.650
   80    HB2  SER  13           1HB      SER  13   6.544   0.002  -2.956
   81    HB3  SER  13           2HB      SER  13   7.299  -1.347  -3.827
   82    HG   SER  13           HG       SER  13   5.657  -0.345  -5.073
   83    H    LEU  14           H        LEU  14   5.880  -1.306   0.242
   84    HA   LEU  14           HA       LEU  14   8.829  -1.578   0.748
   85    HB2  LEU  14           1HB      LEU  14   6.826   0.345   1.982
   86    HB3  LEU  14           2HB      LEU  14   8.562   0.375   2.181
   87    HG   LEU  14           HG       LEU  14   7.159   0.826  -0.501
   88   HD11  LEU  14          1HD1      LEU  14   7.666   3.197  -0.214
   89   HD12  LEU  14          2HD1      LEU  14   8.242   2.868   1.443
   90   HD13  LEU  14          3HD1      LEU  14   6.536   2.587   0.992
   91   HD21  LEU  14          3HD2      LEU  14   9.328   1.741  -1.212
   92   HD22  LEU  14          1HD2      LEU  14   9.481   0.047  -0.728
   93   HD23  LEU  14          2HD2      LEU  14  10.029   1.332   0.372
   94    H    CYS  15           H        CYS  15   5.612  -1.914   2.166
   95    HA   CYS  15           HA       CYS  15   6.706  -3.735   4.267
   96    HB2  CYS  15           1HB      CYS  15   5.664  -2.617   6.007
   97    HB3  CYS  15           2HB      CYS  15   6.378  -1.348   5.039
   98    H    GLU  16           H        GLU  16   4.561  -4.431   5.635
   99    HA   GLU  16           HA       GLU  16   3.149  -6.192   3.730
  100    HB2  GLU  16           1HB      GLU  16   4.431  -6.909   5.891
  101    HB3  GLU  16           2HB      GLU  16   2.983  -6.378   6.747
  102    HG2  GLU  16           1HG      GLU  16   1.640  -8.042   5.465
  103    HG3  GLU  16           2HG      GLU  16   3.058  -8.455   4.504
  104    H    TYR  17           H        TYR  17   2.479  -3.206   4.509
  105    HA   TYR  17           HA       TYR  17  -0.337  -3.319   5.198
  106    HB2  TYR  17           1HB      TYR  17   1.017  -1.318   5.413
  107    HB3  TYR  17           2HB      TYR  17   1.348  -1.292   3.700
  108    HD1  TYR  17           1HD      TYR  17  -0.428  -0.658   2.068
  109    HD2  TYR  17           2HD      TYR  17  -1.127  -0.481   6.314
  110    HE1  TYR  17           1HE      TYR  17  -2.395   0.849   1.681
  111    HE2  TYR  17           2HE      TYR  17  -3.091   1.005   5.923
  112    HH   TYR  17           HH       TYR  17  -4.402   2.061   4.376
  113    H    ALA  18           H        ALA  18  -2.137  -3.475   3.971
  114    HA   ALA  18           HA       ALA  18  -1.985  -3.094   1.120
  115    HB1  ALA  18           1HB      ALA  18  -2.958  -5.784   2.166
  116    HB2  ALA  18           2HB      ALA  18  -3.006  -5.234   0.464
  117    HB3  ALA  18           3HB      ALA  18  -1.447  -5.508   1.290
  118    H    THR  19           H        THR  19  -3.954  -2.692   0.117
  119    HA   THR  19           HA       THR  19  -6.417  -2.471   1.784
  120    HB   THR  19           HB       THR  19  -5.304  -0.323   2.022
  121    HG1  THR  19           1HG      THR  19  -7.349   0.155   1.879
  122   HG21  THR  19          3HG2      THR  19  -4.841   1.116   0.150
  123   HG22  THR  19          1HG2      THR  19  -5.264  -0.154  -1.009
  124   HG23  THR  19          2HG2      THR  19  -3.848  -0.332   0.054
  125    H    ARG  20           H        ARG  20  -8.329  -2.023   0.561
  126    HA   ARG  20           HA       ARG  20  -8.509  -3.364  -2.069
  127    HB2  ARG  20           1HB      ARG  20 -10.574  -2.207  -0.175
  128    HB3  ARG  20           2HB      ARG  20 -10.976  -2.896  -1.735
  129    HG2  ARG  20           1HG      ARG  20  -9.646  -4.410   0.556
  130    HG3  ARG  20           2HG      ARG  20 -11.355  -4.461   0.148
  131    HD2  ARG  20           1HD      ARG  20  -9.074  -5.509  -1.577
  132    HD3  ARG  20           2HD      ARG  20 -10.224  -6.462  -0.652
  133    HE   ARG  20           HE       ARG  20 -11.598  -4.726  -2.502
  134   HH11  ARG  20          2HH1      ARG  20  -9.925  -7.843  -2.433
  135   HH12  ARG  20          1HH1      ARG  20 -10.676  -8.333  -3.924
  136   HH21  ARG  20          2HH2      ARG  20 -12.515  -5.476  -4.362
  137   HH22  ARG  20          1HH2      ARG  20 -12.112  -7.057  -4.958
  138    H    SER  21           H        SER  21  -7.932  -0.162  -1.061
  139    HA   SER  21           HA       SER  21  -8.894   0.894  -3.708
  140    HB2  SER  21           1HB      SER  21  -9.013   2.207  -0.979
  141    HB3  SER  21           2HB      SER  21  -9.397   3.008  -2.518
  142    HG   SER  21           HG       SER  21 -11.269   2.169  -1.455
  143    H    LYS  22           H        LYS  22  -7.355   1.726  -4.952
  144    HA   LYS  22           HA       LYS  22  -4.646   1.934  -4.168
  145    HB2  LYS  22           1HB      LYS  22  -4.221   2.829  -6.351
  146    HB3  LYS  22           2HB      LYS  22  -5.418   1.552  -6.465
  147    HG2  LYS  22           1HG      LYS  22  -7.222   3.368  -6.519
  148    HG3  LYS  22           2HG      LYS  22  -5.916   4.549  -6.676
  149    HD2  LYS  22           1HD      LYS  22  -6.525   2.255  -8.593
  150    HD3  LYS  22           2HD      LYS  22  -6.903   3.965  -8.849
  151    HE2  LYS  22           1HE      LYS  22  -4.456   4.495  -8.757
  152    HE3  LYS  22           2HE      LYS  22  -4.107   2.768  -8.585
  153    HZ1  LYS  22           3HZ      LYS  22  -5.151   2.409 -10.761
  154    HZ2  LYS  22           1HZ      LYS  22  -3.926   3.476 -10.898
  155    HZ3  LYS  22           2HZ      LYS  22  -5.469   4.005 -10.921
  156    H    SER  23           H        SER  23  -7.131   4.397  -4.006
  157    HA   SER  23           HA       SER  23  -5.452   6.689  -3.566
  158    HB2  SER  23           1HB      SER  23  -7.569   7.625  -2.565
  159    HB3  SER  23           2HB      SER  23  -7.731   6.993  -4.213
  160    HG   SER  23           HG       SER  23  -9.434   6.288  -2.816
  161    H    ASN  24           H        ASN  24  -6.703   4.164  -1.366
  162    HA   ASN  24           HA       ASN  24  -5.691   5.488   1.041
  163    HB2  ASN  24           1HB      ASN  24  -6.792   2.708   0.467
  164    HB3  ASN  24           2HB      ASN  24  -6.132   3.164   2.031
  165   HD21  ASN  24          1HD2      ASN  24  -7.170   4.943   3.234
  166   HD22  ASN  24          2HD2      ASN  24  -8.864   5.281   2.909
  167    H    LEU  25           H        LEU  25  -4.451   2.851  -1.126
  168    HA   LEU  25           HA       LEU  25  -2.069   2.539   0.386
  169    HB2  LEU  25           1HB      LEU  25  -2.633   0.868  -1.272
  170    HB3  LEU  25           2HB      LEU  25  -2.491   2.031  -2.588
  171    HG   LEU  25           HG       LEU  25  -0.122   2.235  -2.165
  172   HD11  LEU  25          1HD1      LEU  25  -0.058   1.903   0.306
  173   HD12  LEU  25          2HD1      LEU  25   1.093   0.871  -0.519
  174   HD13  LEU  25          3HD1      LEU  25  -0.443   0.184   0.052
  175   HD21  LEU  25          3HD2      LEU  25  -0.789   0.432  -3.648
  176   HD22  LEU  25          1HD2      LEU  25  -0.844  -0.689  -2.253
  177   HD23  LEU  25          2HD2      LEU  25   0.694   0.033  -2.760
  178    H    LYS  26           H        LYS  26  -2.667   4.627  -2.424
  179    HA   LYS  26           HA       LYS  26  -0.219   5.974  -2.685
  180    HB2  LYS  26           1HB      LYS  26  -2.218   6.318  -4.102
  181    HB3  LYS  26           2HB      LYS  26  -3.068   7.056  -2.751
  182    HG2  LYS  26           1HG      LYS  26  -1.194   8.890  -2.814
  183    HG3  LYS  26           2HG      LYS  26  -0.760   8.168  -4.367
  184    HD2  LYS  26           1HD      LYS  26  -2.275   9.889  -4.949
  185    HD3  LYS  26           2HD      LYS  26  -3.246   8.415  -4.987
  186    HE2  LYS  26           1HE      LYS  26  -4.607  10.011  -3.922
  187    HE3  LYS  26           2HE      LYS  26  -4.029   8.966  -2.624
  188    HZ1  LYS  26           3HZ      LYS  26  -3.867  11.324  -2.038
  189    HZ2  LYS  26           1HZ      LYS  26  -2.914  11.640  -3.320
  190    HZ3  LYS  26           2HZ      LYS  26  -2.361  10.700  -2.102
  191    H    ALA  27           H        ALA  27  -2.773   6.619  -0.336
  192    HA   ALA  27           HA       ALA  27  -1.468   8.864   0.968
  193    HB1  ALA  27           1HB      ALA  27  -3.714   7.051   1.958
  194    HB2  ALA  27           2HB      ALA  27  -3.265   8.637   2.617
  195    HB3  ALA  27           3HB      ALA  27  -3.923   8.518   0.971
  196    H    HIS  28           H        HIS  28  -1.591   5.350   1.656
  197    HA   HIS  28           HA       HIS  28  -0.071   5.422   4.103
  198    HB2  HIS  28           1HB      HIS  28  -1.459   3.568   3.676
  199    HB3  HIS  28           2HB      HIS  28  -0.757   3.286   2.087
  200    HD1  HIS  28           1HD      HIS  28   0.081   2.755   5.789
  201    HD2  HIS  28           2HD      HIS  28   1.594   2.039   1.934
  202    HE1  HIS  28           1HE      HIS  28   2.104   1.257   6.105
  203    H    MET  29           H        MET  29   0.882   5.070   0.661
  204    HA   MET  29           HA       MET  29   3.644   4.531   1.079
  205    HB2  MET  29           1HB      MET  29   2.340   5.995  -1.240
  206    HB3  MET  29           2HB      MET  29   3.941   5.269  -1.246
  207    HG2  MET  29           1HG      MET  29   1.908   3.277  -0.461
  208    HG3  MET  29           2HG      MET  29   1.474   4.104  -1.909
  209    HE1  MET  29           3HE      MET  29   5.126   3.173  -0.799
  210    HE2  MET  29           1HE      MET  29   4.014   1.916  -0.215
  211    HE3  MET  29           2HE      MET  29   5.206   1.528  -1.482
  212    H    ASN  30           H        ASN  30   1.883   7.618   0.995
  213    HA   ASN  30           HA       ASN  30   4.224   9.309   1.169
  214    HB2  ASN  30           1HB      ASN  30   1.249   9.715   1.602
  215    HB3  ASN  30           2HB      ASN  30   2.407  10.958   2.064
  216   HD21  ASN  30          1HD2      ASN  30   1.210   9.107  -0.784
  217   HD22  ASN  30          2HD2      ASN  30   1.805  10.309  -1.920
  218    H    ARG  31           H        ARG  31   2.722   7.309   3.597
  219    HA   ARG  31           HA       ARG  31   3.820   8.793   5.891
  220    HB2  ARG  31           1HB      ARG  31   2.937   5.885   5.800
  221    HB3  ARG  31           2HB      ARG  31   3.179   6.889   7.223
  222    HG2  ARG  31           1HG      ARG  31   1.296   8.358   6.553
  223    HG3  ARG  31           2HG      ARG  31   1.031   7.353   5.117
  224    HD2  ARG  31           1HD      ARG  31   0.656   5.378   6.597
  225    HD3  ARG  31           2HD      ARG  31   0.789   6.453   8.006
  226    HE   ARG  31           HE       ARG  31  -1.153   7.526   6.213
  227   HH11  ARG  31          2HH1      ARG  31  -0.868   4.822   8.424
  228   HH12  ARG  31          1HH1      ARG  31  -2.592   4.702   8.642
  229   HH21  ARG  31          2HH2      ARG  31  -3.341   7.333   6.558
  230   HH22  ARG  31          1HH2      ARG  31  -3.948   6.094   7.617
  231    H    HIS  32           H        HIS  32   4.991   6.318   3.682
  232    HA   HIS  32           HA       HIS  32   7.396   5.739   5.241
  233    HB2  HIS  32           1HB      HIS  32   6.633   5.152   2.353
  234    HB3  HIS  32           2HB      HIS  32   8.145   4.669   3.098
  235    HD1  HIS  32           1HD      HIS  32   7.858   2.963   5.314
  236    HD2  HIS  32           2HD      HIS  32   4.730   3.339   2.529
  237    HE1  HIS  32           1HE      HIS  32   6.466   0.863   5.559
  238    H    SER  33           H        SER  33   6.464   8.173   2.868
  239    HA   SER  33           HA       SER  33   9.049   8.983   2.023
  240    HB2  SER  33           1HB      SER  33   6.468  10.587   2.068
  241    HB3  SER  33           2HB      SER  33   7.907  10.949   1.107
  242    HG   SER  33           HG       SER  33   6.482   9.826  -0.186
  243    H    THR  34           H        THR  34   8.015   9.312   5.165
  244    HA   THR  34           HA       THR  34   8.865  12.024   5.762
  245    HB   THR  34           HB       THR  34   8.731  11.270   8.123
  246    HG1  THR  34           1HG      THR  34   7.949   9.156   8.479
  247   HG21  THR  34          3HG2      THR  34   6.320  10.398   6.467
  248   HG22  THR  34          1HG2      THR  34   6.690  12.067   6.954
  249   HG23  THR  34          2HG2      THR  34   6.328  10.845   8.186
  250    H    GLU  35           H        GLU  35  10.658   9.191   5.099
  251    HA   GLU  35           HA       GLU  35  13.150  10.463   6.136
  252    HB2  GLU  35           1HB      GLU  35  12.423   8.628   7.645
  253    HB3  GLU  35           2HB      GLU  35  12.476   7.498   6.287
  254    HG2  GLU  35           1HG      GLU  35  14.900   7.870   6.041
  255    HG3  GLU  35           2HG      GLU  35  14.860   9.115   7.294
  256    H    LYS  36           H        LYS  36  14.897  10.377   4.802
  257    HA   LYS  36           HA       LYS  36  14.630   9.133   2.094
  258    HB2  LYS  36           1HB      LYS  36  15.707  11.884   2.820
  259    HB3  LYS  36           2HB      LYS  36  15.752  11.151   1.212
  260    HG2  LYS  36           1HG      LYS  36  13.262  11.037   1.194
  261    HG3  LYS  36           2HG      LYS  36  13.208  11.848   2.763
  262    HD2  LYS  36           1HD      LYS  36  14.404  13.021   0.224
  263    HD3  LYS  36           2HD      LYS  36  12.787  13.368   0.861
  264    HE2  LYS  36           1HE      LYS  36  13.804  14.263   2.952
  265    HE3  LYS  36           2HE      LYS  36  15.416  13.961   2.291
  266    HZ1  LYS  36           3HZ      LYS  36  14.903  15.526   0.495
  267    HZ2  LYS  36           1HZ      LYS  36  14.739  16.262   1.941
  268    HZ3  LYS  36           2HZ      LYS  36  13.413  15.808   1.107
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1 -13.469 -15.197   0.476
    2    H2   GLY   1           2H       GLY   1 -13.827 -14.739   2.011
    3    H3   GLY   1           3H       GLY   1 -12.766 -13.869   1.121
    4    HA2  GLY   1           1HA      GLY   1 -14.458 -13.166  -0.412
    5    HA3  GLY   1           2HA      GLY   1 -15.626 -14.181   0.455
    6    H    SER   2           H        SER   2 -16.981 -12.931   1.639
    7    HA   SER   2           HA       SER   2 -16.391 -10.328   2.669
    8    HB2  SER   2           1HB      SER   2 -18.503 -12.308   3.604
    9    HB3  SER   2           2HB      SER   2 -18.498 -10.555   3.876
   10    HG   SER   2           HG       SER   2 -19.816 -11.154   2.086
   11    H    SER   3           H        SER   3 -15.712 -13.478   3.936
   12    HA   SER   3           HA       SER   3 -14.240 -12.295   6.212
   13    HB2  SER   3           1HB      SER   3 -16.445 -13.246   7.023
   14    HB3  SER   3           2HB      SER   3 -15.883 -14.839   6.483
   15    HG   SER   3           HG       SER   3 -15.435 -14.393   8.721
   16    H    GLY   4           H        GLY   4 -12.752 -14.114   7.114
   17    HA2  GLY   4           1HA      GLY   4 -11.147 -15.800   6.755
   18    HA3  GLY   4           2HA      GLY   4 -11.638 -15.947   5.075
   19    H    SER   5           H        SER   5  -9.164 -16.104   5.142
   20    HA   SER   5           HA       SER   5  -7.655 -13.643   5.508
   21    HB2  SER   5           1HB      SER   5  -5.700 -15.158   5.221
   22    HB3  SER   5           2HB      SER   5  -6.828 -15.647   6.489
   23    HG   SER   5           HG       SER   5  -6.184 -17.412   5.148
   24    H    SER   6           H        SER   6  -9.437 -13.758   3.103
   25    HA   SER   6           HA       SER   6  -8.058 -14.167   0.702
   26    HB2  SER   6           1HB      SER   6 -10.214 -12.097   1.268
   27    HB3  SER   6           2HB      SER   6  -9.763 -12.732  -0.325
   28    HG   SER   6           HG       SER   6 -10.368 -14.830   0.437
   29    H    GLY   7           H        GLY   7  -6.820 -13.001  -0.663
   30    HA2  GLY   7           1HA      GLY   7  -5.107 -10.944   0.383
   31    HA3  GLY   7           2HA      GLY   7  -5.106 -11.577  -1.258
   32    H    LYS   8           H        LYS   8  -4.612  -8.918  -0.630
   33    HA   LYS   8           HA       LYS   8  -7.051  -7.378  -1.428
   34    HB2  LYS   8           1HB      LYS   8  -4.664  -6.691   0.300
   35    HB3  LYS   8           2HB      LYS   8  -5.625  -5.427  -0.447
   36    HG2  LYS   8           1HG      LYS   8  -6.373  -5.684   1.789
   37    HG3  LYS   8           2HG      LYS   8  -7.656  -6.258   0.720
   38    HD2  LYS   8           1HD      LYS   8  -7.099  -8.573   1.212
   39    HD3  LYS   8           2HD      LYS   8  -5.649  -8.086   2.122
   40    HE2  LYS   8           1HE      LYS   8  -7.124  -6.967   3.785
   41    HE3  LYS   8           2HE      LYS   8  -8.543  -7.458   2.842
   42    HZ1  LYS   8           3HZ      LYS   8  -7.762  -9.807   3.165
   43    HZ2  LYS   8           1HZ      LYS   8  -8.205  -9.074   4.570
   44    HZ3  LYS   8           2HZ      LYS   8  -6.625  -9.271   4.203
   45    HA   PRO   9           HA       PRO   9  -5.204  -6.374  -5.254
   46    HB2  PRO   9           1HB      PRO   9  -6.294  -3.950  -5.898
   47    HB3  PRO   9           2HB      PRO   9  -7.223  -5.480  -5.842
   48    HG2  PRO   9           1HG      PRO   9  -6.917  -3.431  -3.620
   49    HG3  PRO   9           2HG      PRO   9  -8.448  -4.082  -4.308
   50    HD2  PRO   9           1HD      PRO   9  -7.375  -5.111  -2.057
   51    HD3  PRO   9           2HD      PRO   9  -8.016  -6.222  -3.309
   52    H    PHE  10           H        PHE  10  -4.854  -3.675  -2.854
   53    HA   PHE  10           HA       PHE  10  -2.325  -2.838  -4.235
   54    HB2  PHE  10           1HB      PHE  10  -4.137  -1.143  -2.525
   55    HB3  PHE  10           2HB      PHE  10  -2.750  -0.631  -3.452
   56    HD1  PHE  10           1HD      PHE  10  -2.733  -0.861  -5.983
   57    HD2  PHE  10           2HD      PHE  10  -6.299  -1.249  -3.606
   58    HE1  PHE  10           1HE      PHE  10  -4.115  -0.560  -8.016
   59    HE2  PHE  10           2HE      PHE  10  -7.696  -0.981  -5.651
   60    HZ   PHE  10           HZ       PHE  10  -6.599  -0.605  -7.857
   61    H    LYS  11           H        LYS  11  -1.054  -4.174  -3.362
   62    HA   LYS  11           HA       LYS  11  -0.497  -4.209  -0.443
   63    HB2  LYS  11           1HB      LYS  11  -0.759  -6.302  -1.861
   64    HB3  LYS  11           2HB      LYS  11   0.725  -5.862  -2.691
   65    HG2  LYS  11           1HG      LYS  11   0.424  -6.553   0.271
   66    HG3  LYS  11           2HG      LYS  11   1.054  -7.594  -1.006
   67    HD2  LYS  11           1HD      LYS  11   2.841  -5.755  -1.380
   68    HD3  LYS  11           2HD      LYS  11   2.317  -5.136   0.208
   69    HE2  LYS  11           1HE      LYS  11   2.830  -7.320   1.232
   70    HE3  LYS  11           2HE      LYS  11   3.360  -7.937  -0.343
   71    HZ1  LYS  11           3HZ      LYS  11   4.567  -5.636   1.097
   72    HZ2  LYS  11           1HZ      LYS  11   5.055  -6.164  -0.366
   73    HZ3  LYS  11           2HZ      LYS  11   5.255  -7.123   0.951
   74    H    CYS  12           H        CYS  12   0.906  -2.900   0.329
   75    HA   CYS  12           HA       CYS  12   2.423  -0.907  -0.880
   76    HB2  CYS  12           1HB      CYS  12   1.757  -1.022   1.458
   77    HB3  CYS  12           2HB      CYS  12   2.810  -2.416   1.727
   78    H    SER  13           H        SER  13   4.356  -0.692  -1.799
   79    HA   SER  13           HA       SER  13   5.889  -3.004  -2.635
   80    HB2  SER  13           1HB      SER  13   6.540  -0.040  -2.864
   81    HB3  SER  13           2HB      SER  13   7.323  -1.359  -3.755
   82    HG   SER  13           HG       SER  13   5.684  -0.346  -4.996
   83    H    LEU  14           H        LEU  14   5.892  -1.430   0.300
   84    HA   LEU  14           HA       LEU  14   8.839  -1.736   0.798
   85    HB2  LEU  14           1HB      LEU  14   6.853   0.177   2.069
   86    HB3  LEU  14           2HB      LEU  14   8.588   0.188   2.278
   87    HG   LEU  14           HG       LEU  14   7.209   0.700  -0.403
   88   HD11  LEU  14          1HD1      LEU  14   7.649   3.056  -0.083
   89   HD12  LEU  14          2HD1      LEU  14   8.305   2.730   1.548
   90   HD13  LEU  14          3HD1      LEU  14   6.589   2.425   1.172
   91   HD21  LEU  14          3HD2      LEU  14  10.069   1.182   0.508
   92   HD22  LEU  14          1HD2      LEU  14   9.383   1.629  -1.074
   93   HD23  LEU  14          2HD2      LEU  14   9.526  -0.076  -0.625
   94    H    CYS  15           H        CYS  15   5.621  -2.080   2.201
   95    HA   CYS  15           HA       CYS  15   6.702  -3.935   4.277
   96    HB2  CYS  15           1HB      CYS  15   5.644  -2.856   6.032
   97    HB3  CYS  15           2HB      CYS  15   6.374  -1.571   5.102
   98    H    GLU  16           H        GLU  16   4.552  -4.671   5.610
   99    HA   GLU  16           HA       GLU  16   3.167  -6.406   3.663
  100    HB2  GLU  16           1HB      GLU  16   4.419  -7.147   5.829
  101    HB3  GLU  16           2HB      GLU  16   2.968  -6.614   6.679
  102    HG2  GLU  16           1HG      GLU  16   1.624  -8.263   5.388
  103    HG3  GLU  16           2HG      GLU  16   3.040  -8.675   4.422
  104    H    TYR  17           H        TYR  17   2.480  -3.424   4.526
  105    HA   TYR  17           HA       TYR  17  -0.334  -3.548   5.196
  106    HB2  TYR  17           1HB      TYR  17   1.063  -1.570   5.460
  107    HB3  TYR  17           2HB      TYR  17   1.356  -1.490   3.744
  108    HD1  TYR  17           2HD      TYR  17  -1.101  -0.843   6.435
  109    HD2  TYR  17           1HD      TYR  17  -0.377  -0.663   2.195
  110    HE1  TYR  17           2HE      TYR  17  -3.012   0.742   6.166
  111    HE2  TYR  17           1HE      TYR  17  -2.271   0.942   1.926
  112    HH   TYR  17           HH       TYR  17  -3.921   2.124   2.997
  113    H    ALA  18           H        ALA  18  -2.134  -3.700   3.974
  114    HA   ALA  18           HA       ALA  18  -1.991  -3.215   1.134
  115    HB1  ALA  18           1HB      ALA  18  -3.067  -5.912   2.031
  116    HB2  ALA  18           2HB      ALA  18  -2.896  -5.299   0.359
  117    HB3  ALA  18           3HB      ALA  18  -1.451  -5.670   1.337
  118    H    THR  19           H        THR  19  -3.959  -2.747   0.157
  119    HA   THR  19           HA       THR  19  -6.399  -2.525   1.854
  120    HB   THR  19           HB       THR  19  -5.043  -0.487   2.224
  121    HG1  THR  19           1HG      THR  19  -7.125  -0.082   2.372
  122   HG21  THR  19          3HG2      THR  19  -4.590   1.073   0.537
  123   HG22  THR  19          1HG2      THR  19  -5.328   0.064  -0.733
  124   HG23  THR  19          2HG2      THR  19  -3.830  -0.437   0.086
  125    H    ARG  20           H        ARG  20  -8.238  -1.627   0.616
  126    HA   ARG  20           HA       ARG  20  -8.507  -3.127  -1.910
  127    HB2  ARG  20           1HB      ARG  20 -10.373  -2.129   0.227
  128    HB3  ARG  20           2HB      ARG  20 -11.051  -2.344  -1.376
  129    HG2  ARG  20           1HG      ARG  20  -9.414  -4.491  -0.002
  130    HG3  ARG  20           2HG      ARG  20 -11.162  -4.368   0.205
  131    HD2  ARG  20           1HD      ARG  20  -9.863  -4.650  -2.551
  132    HD3  ARG  20           2HD      ARG  20 -10.311  -6.020  -1.560
  133    HE   ARG  20           HE       ARG  20 -12.594  -5.548  -1.808
  134   HH11  ARG  20          2HH1      ARG  20 -10.851  -3.035  -3.621
  135   HH12  ARG  20          1HH1      ARG  20 -12.211  -2.804  -4.668
  136   HH21  ARG  20          2HH2      ARG  20 -14.259  -5.074  -3.143
  137   HH22  ARG  20          1HH2      ARG  20 -14.080  -3.861  -4.376
  138    H    SER  21           H        SER  21  -7.864   0.064  -1.217
  139    HA   SER  21           HA       SER  21  -8.738   0.866  -3.971
  140    HB2  SER  21           1HB      SER  21 -10.330   1.843  -2.422
  141    HB3  SER  21           2HB      SER  21  -9.012   2.537  -1.455
  142    HG   SER  21           HG       SER  21 -10.012   3.983  -3.044
  143    H    LYS  22           H        LYS  22  -7.305   1.966  -5.168
  144    HA   LYS  22           HA       LYS  22  -4.548   2.074  -4.436
  145    HB2  LYS  22           1HB      LYS  22  -4.195   3.187  -6.546
  146    HB3  LYS  22           2HB      LYS  22  -5.336   1.874  -6.733
  147    HG2  LYS  22           1HG      LYS  22  -7.230   3.503  -6.757
  148    HG3  LYS  22           2HG      LYS  22  -6.071   4.825  -6.567
  149    HD2  LYS  22           1HD      LYS  22  -6.709   4.672  -8.879
  150    HD3  LYS  22           2HD      LYS  22  -5.005   4.221  -8.720
  151    HE2  LYS  22           1HE      LYS  22  -5.629   1.818  -8.847
  152    HE3  LYS  22           2HE      LYS  22  -7.340   2.261  -8.943
  153    HZ1  LYS  22           3HZ      LYS  22  -5.277   2.992 -10.955
  154    HZ2  LYS  22           1HZ      LYS  22  -6.858   3.397 -11.045
  155    HZ3  LYS  22           2HZ      LYS  22  -6.408   1.832 -11.145
  156    H    SER  23           H        SER  23  -7.078   4.511  -4.118
  157    HA   SER  23           HA       SER  23  -5.384   6.739  -3.490
  158    HB2  SER  23           1HB      SER  23  -8.257   6.182  -2.658
  159    HB3  SER  23           2HB      SER  23  -7.432   7.753  -2.586
  160    HG   SER  23           HG       SER  23  -8.687   7.509  -4.504
  161    H    ASN  24           H        ASN  24  -6.630   4.079  -1.494
  162    HA   ASN  24           HA       ASN  24  -5.866   5.266   1.067
  163    HB2  ASN  24           1HB      ASN  24  -6.488   2.402   0.233
  164    HB3  ASN  24           2HB      ASN  24  -6.175   2.908   1.885
  165   HD21  ASN  24          1HD2      ASN  24  -8.394   1.570   1.407
  166   HD22  ASN  24          2HD2      ASN  24  -9.797   2.638   1.526
  167    H    LEU  25           H        LEU  25  -4.411   2.680  -1.036
  168    HA   LEU  25           HA       LEU  25  -2.046   2.497   0.469
  169    HB2  LEU  25           1HB      LEU  25  -2.611   0.821  -1.215
  170    HB3  LEU  25           2HB      LEU  25  -2.416   1.995  -2.515
  171    HG   LEU  25           HG       LEU  25  -0.054   2.180  -2.012
  172   HD11  LEU  25          1HD1      LEU  25  -0.473   0.077   0.138
  173   HD12  LEU  25          2HD1      LEU  25  -0.060   1.785   0.441
  174   HD13  LEU  25          3HD1      LEU  25   1.092   0.748  -0.373
  175   HD21  LEU  25          3HD2      LEU  25   0.748  -0.008  -2.666
  176   HD22  LEU  25          1HD2      LEU  25  -0.718   0.422  -3.563
  177   HD23  LEU  25          2HD2      LEU  25  -0.803  -0.732  -2.203
  178    H    LYS  26           H        LYS  26  -2.715   4.617  -2.275
  179    HA   LYS  26           HA       LYS  26  -0.228   5.936  -2.511
  180    HB2  LYS  26           1HB      LYS  26  -2.068   6.229  -4.051
  181    HB3  LYS  26           2HB      LYS  26  -3.062   7.013  -2.838
  182    HG2  LYS  26           1HG      LYS  26  -0.393   8.192  -3.702
  183    HG3  LYS  26           2HG      LYS  26  -1.822   8.384  -4.704
  184    HD2  LYS  26           1HD      LYS  26  -1.536   9.443  -1.861
  185    HD3  LYS  26           2HD      LYS  26  -1.444  10.361  -3.358
  186    HE2  LYS  26           1HE      LYS  26  -3.801   9.670  -3.893
  187    HE3  LYS  26           2HE      LYS  26  -3.897   8.872  -2.317
  188    HZ1  LYS  26           3HZ      LYS  26  -4.809  11.118  -2.226
  189    HZ2  LYS  26           1HZ      LYS  26  -3.407  11.774  -2.731
  190    HZ3  LYS  26           2HZ      LYS  26  -3.488  11.043  -1.272
  191    H    ALA  27           H        ALA  27  -2.742   6.493  -0.066
  192    HA   ALA  27           HA       ALA  27  -1.415   8.819   1.107
  193    HB1  ALA  27           1HB      ALA  27  -3.868   8.453   1.232
  194    HB2  ALA  27           2HB      ALA  27  -3.597   6.993   2.212
  195    HB3  ALA  27           3HB      ALA  27  -3.134   8.585   2.844
  196    H    HIS  28           H        HIS  28  -1.524   5.310   1.812
  197    HA   HIS  28           HA       HIS  28   0.113   5.350   4.175
  198    HB2  HIS  28           1HB      HIS  28  -1.335   3.532   3.735
  199    HB3  HIS  28           2HB      HIS  28  -0.637   3.249   2.146
  200    HD1  HIS  28           1HD      HIS  28   0.082   2.561   5.820
  201    HD2  HIS  28           2HD      HIS  28   1.702   1.993   1.984
  202    HE1  HIS  28           1HE      HIS  28   2.017   0.951   6.126
  203    H    MET  29           H        MET  29   0.918   5.065   0.700
  204    HA   MET  29           HA       MET  29   3.752   4.687   1.012
  205    HB2  MET  29           1HB      MET  29   2.187   5.929  -1.276
  206    HB3  MET  29           2HB      MET  29   3.847   5.357  -1.370
  207    HG2  MET  29           1HG      MET  29   1.894   3.282  -0.438
  208    HG3  MET  29           2HG      MET  29   1.583   3.948  -2.000
  209    HE1  MET  29           3HE      MET  29   5.205   1.466  -0.896
  210    HE2  MET  29           1HE      MET  29   5.099   3.171  -0.382
  211    HE3  MET  29           2HE      MET  29   3.879   1.998   0.163
  212    H    ASN  30           H        ASN  30   1.729   7.627   0.974
  213    HA   ASN  30           HA       ASN  30   3.986   9.454   0.990
  214    HB2  ASN  30           1HB      ASN  30   1.026   9.753   1.489
  215    HB3  ASN  30           2HB      ASN  30   2.143  11.024   1.973
  216   HD21  ASN  30          1HD2      ASN  30   1.061   9.161  -0.903
  217   HD22  ASN  30          2HD2      ASN  30   1.558  10.424  -2.023
  218    H    ARG  31           H        ARG  31   2.378   7.614   3.573
  219    HA   ARG  31           HA       ARG  31   3.680   9.026   5.767
  220    HB2  ARG  31           1HB      ARG  31   2.728   6.139   5.702
  221    HB3  ARG  31           2HB      ARG  31   3.214   7.060   7.119
  222    HG2  ARG  31           1HG      ARG  31   1.350   8.669   6.741
  223    HG3  ARG  31           2HG      ARG  31   0.840   7.729   5.335
  224    HD2  ARG  31           1HD      ARG  31  -0.566   7.086   7.131
  225    HD3  ARG  31           2HD      ARG  31   0.516   5.733   6.820
  226    HE   ARG  31           HE       ARG  31   0.586   7.633   9.136
  227   HH11  ARG  31          2HH1      ARG  31   1.846   4.633   7.813
  228   HH12  ARG  31          1HH1      ARG  31   2.545   4.164   9.339
  229   HH21  ARG  31          2HH2      ARG  31   1.507   6.967  11.027
  230   HH22  ARG  31          1HH2      ARG  31   2.359   5.453  11.100
  231    H    HIS  32           H        HIS  32   4.598   6.135   3.853
  232    HA   HIS  32           HA       HIS  32   7.162   5.751   5.083
  233    HB2  HIS  32           1HB      HIS  32   6.095   5.105   2.306
  234    HB3  HIS  32           2HB      HIS  32   7.729   4.720   2.808
  235    HD1  HIS  32           1HD      HIS  32   7.877   3.020   5.062
  236    HD2  HIS  32           2HD      HIS  32   4.428   3.155   2.670
  237    HE1  HIS  32           1HE      HIS  32   6.722   0.790   5.401
  238    H    SER  33           H        SER  33   6.093   7.967   2.543
  239    HA   SER  33           HA       SER  33   8.749   8.841   1.763
  240    HB2  SER  33           1HB      SER  33   6.013  10.001   1.149
  241    HB3  SER  33           2HB      SER  33   7.538  10.474   0.416
  242    HG   SER  33           HG       SER  33   6.255   7.930   0.264
  243    H    THR  34           H        THR  34   7.300   9.535   4.590
  244    HA   THR  34           HA       THR  34   7.298  12.265   5.069
  245    HB   THR  34           HB       THR  34   6.606  10.572   6.652
  246    HG1  THR  34           1HG      THR  34   7.477  11.519   8.486
  247   HG21  THR  34          3HG2      THR  34   8.508   8.952   6.224
  248   HG22  THR  34          1HG2      THR  34   8.121   9.213   7.934
  249   HG23  THR  34          2HG2      THR  34   9.546   9.995   7.210
  250    H    GLU  35           H        GLU  35   8.719  13.879   5.476
  251    HA   GLU  35           HA       GLU  35  11.427  13.548   4.464
  252    HB2  GLU  35           1HB      GLU  35  11.541  15.883   4.376
  253    HB3  GLU  35           2HB      GLU  35   9.935  15.446   3.836
  254    HG2  GLU  35           1HG      GLU  35  10.701  16.580   6.566
  255    HG3  GLU  35           2HG      GLU  35   9.967  17.469   5.244
  256    H    LYS  36           H        LYS  36  13.323  14.414   5.361
  257    HA   LYS  36           HA       LYS  36  13.611  14.187   8.312
  258    HB2  LYS  36           1HB      LYS  36  13.891  11.965   7.144
  259    HB3  LYS  36           2HB      LYS  36  15.252  12.657   6.247
  260    HG2  LYS  36           1HG      LYS  36  16.410  13.114   8.404
  261    HG3  LYS  36           2HG      LYS  36  15.019  12.424   9.276
  262    HD2  LYS  36           1HD      LYS  36  15.396  10.247   8.146
  263    HD3  LYS  36           2HD      LYS  36  16.776  10.940   7.266
  264    HE2  LYS  36           1HE      LYS  36  17.912  11.412   9.429
  265    HE3  LYS  36           2HE      LYS  36  16.538  10.724  10.305
  266    HZ1  LYS  36           3HZ      LYS  36  18.325   9.102  10.047
  267    HZ2  LYS  36           1HZ      LYS  36  18.281   9.223   8.421
  268    HZ3  LYS  36           2HZ      LYS  36  17.011   8.586   9.230
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1   7.190 -19.874  -8.263
    2    H2   GLY   1           2H       GLY   1   7.116 -21.119  -7.201
    3    H3   GLY   1           3H       GLY   1   8.420 -20.124  -7.208
    4    HA2  GLY   1           1HA      GLY   1   7.000 -19.611  -5.334
    5    HA3  GLY   1           2HA      GLY   1   7.103 -18.258  -6.475
    6    H    SER   2           H        SER   2   4.972 -19.021  -4.523
    7    HA   SER   2           HA       SER   2   2.685 -20.052  -5.898
    8    HB2  SER   2           1HB      SER   2   2.810 -18.320  -3.403
    9    HB3  SER   2           2HB      SER   2   1.429 -19.299  -3.939
   10    HG   SER   2           HG       SER   2   2.711 -20.385  -2.364
   11    H    SER   3           H        SER   3   0.815 -19.067  -6.669
   12    HA   SER   3           HA       SER   3   1.160 -16.420  -7.885
   13    HB2  SER   3           1HB      SER   3  -0.898 -17.049  -9.116
   14    HB3  SER   3           2HB      SER   3   0.402 -18.242  -9.259
   15    HG   SER   3           HG       SER   3  -1.642 -19.217  -8.817
   16    H    GLY   4           H        GLY   4  -0.193 -17.421  -4.954
   17    HA2  GLY   4           1HA      GLY   4  -2.547 -15.773  -4.801
   18    HA3  GLY   4           2HA      GLY   4  -1.702 -16.524  -3.456
   19    H    SER   5           H        SER   5  -2.799 -14.228  -2.922
   20    HA   SER   5           HA       SER   5  -0.565 -12.353  -2.438
   21    HB2  SER   5           1HB      SER   5  -1.751 -11.635  -4.557
   22    HB3  SER   5           2HB      SER   5  -3.210 -11.382  -3.580
   23    HG   SER   5           HG       SER   5  -1.944  -9.465  -3.827
   24    H    SER   6           H        SER   6  -1.395 -10.547  -0.941
   25    HA   SER   6           HA       SER   6  -2.225 -11.858   1.475
   26    HB2  SER   6           1HB      SER   6  -1.610  -8.922   1.014
   27    HB3  SER   6           2HB      SER   6  -1.636  -9.775   2.571
   28    HG   SER   6           HG       SER   6   0.489  -9.624   1.795
   29    H    GLY   7           H        GLY   7  -4.460 -11.769  -0.348
   30    HA2  GLY   7           1HA      GLY   7  -6.744 -11.618  -0.178
   31    HA3  GLY   7           2HA      GLY   7  -6.545 -10.977   1.453
   32    H    LYS   8           H        LYS   8  -4.905  -8.945  -0.674
   33    HA   LYS   8           HA       LYS   8  -7.229  -7.179  -1.223
   34    HB2  LYS   8           1HB      LYS   8  -4.744  -6.451   0.366
   35    HB3  LYS   8           2HB      LYS   8  -5.755  -5.247  -0.406
   36    HG2  LYS   8           1HG      LYS   8  -6.707  -5.137   1.618
   37    HG3  LYS   8           2HG      LYS   8  -7.698  -6.453   0.997
   38    HD2  LYS   8           1HD      LYS   8  -6.237  -8.088   2.168
   39    HD3  LYS   8           2HD      LYS   8  -5.174  -6.771   2.699
   40    HE2  LYS   8           1HE      LYS   8  -7.054  -5.760   3.952
   41    HE3  LYS   8           2HE      LYS   8  -8.125  -7.061   3.410
   42    HZ1  LYS   8           3HZ      LYS   8  -6.685  -8.642   4.592
   43    HZ2  LYS   8           1HZ      LYS   8  -7.247  -7.513   5.628
   44    HZ3  LYS   8           2HZ      LYS   8  -5.706  -7.435   5.100
   45    HA   PRO   9           HA       PRO   9  -5.246  -6.547  -5.093
   46    HB2  PRO   9           1HB      PRO   9  -6.231  -4.135  -5.909
   47    HB3  PRO   9           2HB      PRO   9  -7.206  -5.632  -5.800
   48    HG2  PRO   9           1HG      PRO   9  -6.930  -3.448  -3.710
   49    HG3  PRO   9           2HG      PRO   9  -8.447  -4.137  -4.385
   50    HD2  PRO   9           1HD      PRO   9  -7.430  -5.021  -2.044
   51    HD3  PRO   9           2HD      PRO   9  -8.079  -6.196  -3.236
   52    H    PHE  10           H        PHE  10  -4.915  -3.721  -2.859
   53    HA   PHE  10           HA       PHE  10  -2.397  -2.920  -4.270
   54    HB2  PHE  10           1HB      PHE  10  -4.188  -1.236  -2.530
   55    HB3  PHE  10           2HB      PHE  10  -2.844  -0.709  -3.509
   56    HD1  PHE  10           1HD      PHE  10  -2.900  -1.275  -6.058
   57    HD2  PHE  10           2HD      PHE  10  -6.373  -1.118  -3.516
   58    HE1  PHE  10           1HE      PHE  10  -4.340  -1.118  -8.049
   59    HE2  PHE  10           2HE      PHE  10  -7.832  -0.950  -5.524
   60    HZ   PHE  10           HZ       PHE  10  -6.822  -0.948  -7.799
   61    H    LYS  11           H        LYS  11  -1.084  -4.225  -3.429
   62    HA   LYS  11           HA       LYS  11  -0.337  -4.175  -0.559
   63    HB2  LYS  11           1HB      LYS  11  -0.387  -6.345  -1.549
   64    HB3  LYS  11           2HB      LYS  11   0.477  -5.803  -2.978
   65    HG2  LYS  11           1HG      LYS  11   1.891  -7.197  -1.648
   66    HG3  LYS  11           2HG      LYS  11   2.551  -5.573  -1.730
   67    HD2  LYS  11           1HD      LYS  11   1.869  -5.177   0.616
   68    HD3  LYS  11           2HD      LYS  11   0.979  -6.715   0.625
   69    HE2  LYS  11           1HE      LYS  11   3.061  -7.211   1.672
   70    HE3  LYS  11           2HE      LYS  11   3.157  -7.887   0.050
   71    HZ1  LYS  11           3HZ      LYS  11   4.378  -5.348   0.986
   72    HZ2  LYS  11           1HZ      LYS  11   4.353  -5.757  -0.577
   73    HZ3  LYS  11           2HZ      LYS  11   5.184  -6.691   0.495
   74    H    CYS  12           H        CYS  12   1.020  -2.856   0.172
   75    HA   CYS  12           HA       CYS  12   2.542  -0.838  -1.044
   76    HB2  CYS  12           1HB      CYS  12   1.887  -0.882   1.269
   77    HB3  CYS  12           2HB      CYS  12   2.799  -2.366   1.557
   78    H    SER  13           H        SER  13   4.666  -0.558  -1.537
   79    HA   SER  13           HA       SER  13   6.116  -2.883  -2.613
   80    HB2  SER  13           1HB      SER  13   6.802   0.079  -2.682
   81    HB3  SER  13           2HB      SER  13   7.601  -1.206  -3.605
   82    HG   SER  13           HG       SER  13   6.020  -0.127  -4.860
   83    H    LEU  14           H        LEU  14   6.097  -1.332   0.378
   84    HA   LEU  14           HA       LEU  14   9.020  -1.808   0.922
   85    HB2  LEU  14           1HB      LEU  14   7.113   0.167   2.217
   86    HB3  LEU  14           2HB      LEU  14   8.842   0.060   2.485
   87    HG   LEU  14           HG       LEU  14   7.576   0.792  -0.192
   88   HD11  LEU  14          1HD1      LEU  14   8.759   2.564   1.970
   89   HD12  LEU  14          2HD1      LEU  14   7.069   2.494   1.417
   90   HD13  LEU  14          3HD1      LEU  14   8.320   3.097   0.326
   91   HD21  LEU  14          3HD2      LEU  14   9.836   1.584  -0.770
   92   HD22  LEU  14          1HD2      LEU  14   9.835  -0.150  -0.426
   93   HD23  LEU  14          2HD2      LEU  14  10.448   0.995   0.793
   94    H    CYS  15           H        CYS  15   5.767  -2.005   2.256
   95    HA   CYS  15           HA       CYS  15   6.712  -3.924   4.342
   96    HB2  CYS  15           1HB      CYS  15   5.541  -2.861   6.054
   97    HB3  CYS  15           2HB      CYS  15   6.391  -1.590   5.216
   98    H    GLU  16           H        GLU  16   4.581  -4.745   5.521
   99    HA   GLU  16           HA       GLU  16   3.224  -6.320   3.434
  100    HB2  GLU  16           1HB      GLU  16   4.389  -7.199   5.600
  101    HB3  GLU  16           2HB      GLU  16   2.905  -6.716   6.422
  102    HG2  GLU  16           1HG      GLU  16   1.615  -8.274   4.967
  103    HG3  GLU  16           2HG      GLU  16   3.077  -8.634   4.047
  104    H    TYR  17           H        TYR  17   2.512  -3.379   4.382
  105    HA   TYR  17           HA       TYR  17  -0.290  -3.493   5.048
  106    HB2  TYR  17           1HB      TYR  17   1.116  -1.518   5.317
  107    HB3  TYR  17           2HB      TYR  17   1.432  -1.444   3.607
  108    HD1  TYR  17           1HD      TYR  17  -0.313  -0.646   2.038
  109    HD2  TYR  17           2HD      TYR  17  -1.032  -0.765   6.282
  110    HE1  TYR  17           1HE      TYR  17  -2.259   0.915   1.751
  111    HE2  TYR  17           2HE      TYR  17  -2.972   0.771   5.992
  112    HH   TYR  17           HH       TYR  17  -4.254   1.954   4.523
  113    H    ALA  18           H        ALA  18  -2.082  -3.726   3.859
  114    HA   ALA  18           HA       ALA  18  -1.987  -3.156   1.044
  115    HB1  ALA  18           1HB      ALA  18  -1.373  -5.581   1.107
  116    HB2  ALA  18           2HB      ALA  18  -2.932  -5.921   1.885
  117    HB3  ALA  18           3HB      ALA  18  -2.879  -5.253   0.224
  118    H    THR  19           H        THR  19  -3.968  -2.731   0.077
  119    HA   THR  19           HA       THR  19  -6.385  -2.573   1.812
  120    HB   THR  19           HB       THR  19  -5.118  -0.484   2.169
  121    HG1  THR  19           1HG      THR  19  -7.356  -0.390   2.168
  122   HG21  THR  19          3HG2      THR  19  -4.808   1.120   0.427
  123   HG22  THR  19          1HG2      THR  19  -5.352  -0.033  -0.811
  124   HG23  THR  19          2HG2      THR  19  -3.861  -0.330   0.111
  125    H    ARG  20           H        ARG  20  -8.309  -1.897   0.672
  126    HA   ARG  20           HA       ARG  20  -8.554  -3.142  -2.001
  127    HB2  ARG  20           1HB      ARG  20 -10.505  -2.358   0.177
  128    HB3  ARG  20           2HB      ARG  20 -11.077  -2.781  -1.432
  129    HG2  ARG  20           1HG      ARG  20  -9.224  -4.649   0.088
  130    HG3  ARG  20           2HG      ARG  20 -10.971  -4.650   0.366
  131    HD2  ARG  20           1HD      ARG  20 -11.449  -5.194  -1.922
  132    HD3  ARG  20           2HD      ARG  20  -9.764  -4.997  -2.409
  133    HE   ARG  20           HE       ARG  20  -9.697  -6.966  -0.431
  134   HH11  ARG  20          2HH1      ARG  20 -11.435  -6.720  -3.468
  135   HH12  ARG  20          1HH1      ARG  20 -11.375  -8.438  -3.738
  136   HH21  ARG  20          2HH2      ARG  20  -9.515  -9.116  -0.924
  137   HH22  ARG  20          1HH2      ARG  20 -10.373  -9.763  -2.301
  138    H    SER  21           H        SER  21  -7.908  -0.032  -1.025
  139    HA   SER  21           HA       SER  21  -8.978   0.988  -3.629
  140    HB2  SER  21           1HB      SER  21 -10.388   1.818  -1.768
  141    HB3  SER  21           2HB      SER  21  -8.949   2.579  -1.049
  142    HG   SER  21           HG       SER  21 -10.080   4.049  -2.401
  143    H    LYS  22           H        LYS  22  -7.561   1.920  -4.905
  144    HA   LYS  22           HA       LYS  22  -4.769   1.905  -4.360
  145    HB2  LYS  22           1HB      LYS  22  -5.914   1.716  -6.591
  146    HB3  LYS  22           2HB      LYS  22  -6.252   3.444  -6.535
  147    HG2  LYS  22           1HG      LYS  22  -3.766   3.865  -6.380
  148    HG3  LYS  22           2HG      LYS  22  -3.493   2.125  -6.537
  149    HD2  LYS  22           1HD      LYS  22  -4.881   3.900  -8.599
  150    HD3  LYS  22           2HD      LYS  22  -3.184   3.406  -8.655
  151    HE2  LYS  22           1HE      LYS  22  -3.866   1.024  -8.762
  152    HE3  LYS  22           2HE      LYS  22  -5.569   1.506  -8.733
  153    HZ1  LYS  22           3HZ      LYS  22  -5.197   2.696 -10.830
  154    HZ2  LYS  22           1HZ      LYS  22  -4.800   1.124 -11.005
  155    HZ3  LYS  22           2HZ      LYS  22  -3.626   2.246 -10.860
  156    H    SER  23           H        SER  23  -7.124   4.556  -4.083
  157    HA   SER  23           HA       SER  23  -5.176   6.650  -3.667
  158    HB2  SER  23           1HB      SER  23  -7.098   7.977  -2.908
  159    HB3  SER  23           2HB      SER  23  -7.419   7.153  -4.445
  160    HG   SER  23           HG       SER  23  -9.172   6.945  -2.978
  161    H    ASN  24           H        ASN  24  -6.593   4.247  -1.512
  162    HA   ASN  24           HA       ASN  24  -5.684   5.595   0.925
  163    HB2  ASN  24           1HB      ASN  24  -7.687   4.067   0.786
  164    HB3  ASN  24           2HB      ASN  24  -6.586   2.716   0.530
  165   HD21  ASN  24          1HD2      ASN  24  -7.177   1.671   2.428
  166   HD22  ASN  24          2HD2      ASN  24  -6.854   2.330   4.032
  167    H    LEU  25           H        LEU  25  -4.502   2.755  -1.034
  168    HA   LEU  25           HA       LEU  25  -2.081   2.494   0.370
  169    HB2  LEU  25           1HB      LEU  25  -2.744   0.841  -1.334
  170    HB3  LEU  25           2HB      LEU  25  -2.540   2.036  -2.609
  171    HG   LEU  25           HG       LEU  25  -0.176   2.181  -2.171
  172   HD11  LEU  25          1HD1      LEU  25   1.014   0.719  -0.575
  173   HD12  LEU  25          2HD1      LEU  25  -0.544   0.114   0.020
  174   HD13  LEU  25          3HD1      LEU  25  -0.067   1.815   0.258
  175   HD21  LEU  25          3HD2      LEU  25  -0.891   0.392  -3.694
  176   HD22  LEU  25          1HD2      LEU  25  -0.891  -0.739  -2.311
  177   HD23  LEU  25          2HD2      LEU  25   0.619   0.007  -2.845
  178    H    LYS  26           H        LYS  26  -2.702   4.595  -2.439
  179    HA   LYS  26           HA       LYS  26  -0.236   5.907  -2.741
  180    HB2  LYS  26           1HB      LYS  26  -2.297   6.259  -4.115
  181    HB3  LYS  26           2HB      LYS  26  -3.025   7.118  -2.765
  182    HG2  LYS  26           1HG      LYS  26  -0.906   8.731  -3.017
  183    HG3  LYS  26           2HG      LYS  26  -0.799   7.976  -4.608
  184    HD2  LYS  26           1HD      LYS  26  -2.117   9.904  -4.935
  185    HD3  LYS  26           2HD      LYS  26  -3.299   8.575  -4.866
  186    HE2  LYS  26           1HE      LYS  26  -3.802   9.121  -2.510
  187    HE3  LYS  26           2HE      LYS  26  -2.550  10.370  -2.514
  188    HZ1  LYS  26           3HZ      LYS  26  -4.989  10.428  -4.214
  189    HZ2  LYS  26           1HZ      LYS  26  -3.832  11.580  -4.184
  190    HZ3  LYS  26           2HZ      LYS  26  -4.758  11.322  -2.868
  191    H    ALA  27           H        ALA  27  -2.717   6.585  -0.327
  192    HA   ALA  27           HA       ALA  27  -1.351   8.827   0.923
  193    HB1  ALA  27           1HB      ALA  27  -3.552   7.036   2.039
  194    HB2  ALA  27           2HB      ALA  27  -3.057   8.624   2.653
  195    HB3  ALA  27           3HB      ALA  27  -3.804   8.491   1.050
  196    H    HIS  28           H        HIS  28  -1.578   5.321   1.745
  197    HA   HIS  28           HA       HIS  28   0.122   5.343   4.024
  198    HB2  HIS  28           1HB      HIS  28  -1.302   3.510   3.586
  199    HB3  HIS  28           2HB      HIS  28  -0.634   3.250   1.988
  200    HD1  HIS  28           1HD      HIS  28   0.203   2.551   5.644
  201    HD2  HIS  28           2HD      HIS  28   1.732   2.062   1.754
  202    HE1  HIS  28           1HE      HIS  28   2.185   1.011   5.890
  203    H    MET  29           H        MET  29   0.971   5.076   0.538
  204    HA   MET  29           HA       MET  29   3.781   4.672   0.973
  205    HB2  MET  29           1HB      MET  29   2.342   5.844  -1.440
  206    HB3  MET  29           2HB      MET  29   4.017   5.291  -1.404
  207    HG2  MET  29           1HG      MET  29   1.515   3.612  -1.086
  208    HG3  MET  29           2HG      MET  29   2.665   3.546  -2.382
  209    HE1  MET  29           3HE      MET  29   5.000   2.503  -2.254
  210    HE2  MET  29           1HE      MET  29   5.486   3.487  -0.846
  211    HE3  MET  29           2HE      MET  29   5.684   1.716  -0.813
  212    H    ASN  30           H        ASN  30   1.865   7.591   1.096
  213    HA   ASN  30           HA       ASN  30   4.218   9.368   1.155
  214    HB2  ASN  30           1HB      ASN  30   1.234   9.770   1.530
  215    HB3  ASN  30           2HB      ASN  30   2.394  11.008   2.004
  216   HD21  ASN  30          1HD2      ASN  30   1.258   9.104  -0.846
  217   HD22  ASN  30          2HD2      ASN  30   1.847  10.303  -1.990
  218    H    ARG  31           H        ARG  31   2.191   7.673   3.569
  219    HA   ARG  31           HA       ARG  31   3.408   8.852   5.913
  220    HB2  ARG  31           1HB      ARG  31   2.296   6.037   5.640
  221    HB3  ARG  31           2HB      ARG  31   2.557   6.912   7.139
  222    HG2  ARG  31           1HG      ARG  31   0.835   8.552   6.612
  223    HG3  ARG  31           2HG      ARG  31   0.606   7.853   5.013
  224    HD2  ARG  31           1HD      ARG  31   0.016   5.655   6.221
  225    HD3  ARG  31           2HD      ARG  31  -0.142   6.642   7.679
  226    HE   ARG  31           HE       ARG  31  -1.725   8.078   6.147
  227   HH11  ARG  31          1HH1      ARG  31  -1.723   4.577   6.228
  228   HH12  ARG  31          2HH1      ARG  31  -3.261   4.476   5.414
  229   HH21  ARG  31          2HH2      ARG  31  -3.739   7.856   5.231
  230   HH22  ARG  31          1HH2      ARG  31  -4.375   6.270   4.911
  231    H    HIS  32           H        HIS  32   4.628   6.408   3.708
  232    HA   HIS  32           HA       HIS  32   6.811   5.616   5.456
  233    HB2  HIS  32           1HB      HIS  32   6.191   5.238   2.519
  234    HB3  HIS  32           2HB      HIS  32   7.793   4.879   3.129
  235    HD1  HIS  32           1HD      HIS  32   7.851   3.021   5.246
  236    HD2  HIS  32           2HD      HIS  32   4.579   3.193   2.620
  237    HE1  HIS  32           1HE      HIS  32   6.747   0.742   5.377
  238    H    SER  33           H        SER  33   6.237   8.425   3.494
  239    HA   SER  33           HA       SER  33   9.113   9.065   3.150
  240    HB2  SER  33           1HB      SER  33   7.463   9.150   1.259
  241    HB3  SER  33           2HB      SER  33   6.666  10.507   2.080
  242    HG   SER  33           HG       SER  33   8.234  11.177   0.514
  243    H    THR  34           H        THR  34   6.257  10.245   4.938
  244    HA   THR  34           HA       THR  34   7.373  12.774   5.705
  245    HB   THR  34           HB       THR  34   5.581  12.739   7.477
  246    HG1  THR  34           1HG      THR  34   4.077  11.103   7.367
  247   HG21  THR  34          3HG2      THR  34   3.723  12.944   5.887
  248   HG22  THR  34          1HG2      THR  34   4.674  12.123   4.630
  249   HG23  THR  34          2HG2      THR  34   5.183  13.711   5.243
  250    H    GLU  35           H        GLU  35   8.156  13.536   7.671
  251    HA   GLU  35           HA       GLU  35   9.815  11.676   9.218
  252    HB2  GLU  35           1HB      GLU  35  10.616  13.912   8.524
  253    HB3  GLU  35           2HB      GLU  35   9.378  14.668   9.537
  254    HG2  GLU  35           1HG      GLU  35  10.386  13.648  11.552
  255    HG3  GLU  35           2HG      GLU  35  11.559  12.789  10.551
  256    H    LYS  36           H        LYS  36   9.442  10.938  11.242
  257    HA   LYS  36           HA       LYS  36   6.879  11.577  12.648
  258    HB2  LYS  36           1HB      LYS  36   7.973   8.861  11.830
  259    HB3  LYS  36           2HB      LYS  36   6.616   9.091  12.933
  260    HG2  LYS  36           1HG      LYS  36   5.250  10.108  11.228
  261    HG3  LYS  36           2HG      LYS  36   6.583  10.181  10.079
  262    HD2  LYS  36           1HD      LYS  36   5.363   7.605  11.122
  263    HD3  LYS  36           2HD      LYS  36   5.005   8.380   9.566
  264    HE2  LYS  36           1HE      LYS  36   7.468   8.240   9.002
  265    HE3  LYS  36           2HE      LYS  36   7.702   7.277  10.470
  266    HZ1  LYS  36           3HZ      LYS  36   6.074   5.673   9.531
  267    HZ2  LYS  36           1HZ      LYS  36   7.395   5.834   8.578
  268    HZ3  LYS  36           2HZ      LYS  36   5.998   6.571   8.152
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1  -8.162  -6.997  12.775
    2    H2   GLY   1           2H       GLY   1  -6.568  -6.880  12.421
    3    H3   GLY   1           3H       GLY   1  -7.263  -8.353  12.607
    4    HA2  GLY   1           1HA      GLY   1  -7.867  -6.431  10.452
    5    HA3  GLY   1           2HA      GLY   1  -6.899  -7.903  10.270
    6    H    SER   2           H        SER   2  -8.638  -8.171   8.530
    7    HA   SER   2           HA       SER   2 -11.322  -8.936   9.349
    8    HB2  SER   2           1HB      SER   2 -11.552  -9.564   6.961
    9    HB3  SER   2           2HB      SER   2 -10.946  -7.914   7.185
   10    HG   SER   2           HG       SER   2  -9.844  -9.382   5.603
   11    H    SER   3           H        SER   3  -8.358 -10.672   8.689
   12    HA   SER   3           HA       SER   3  -7.618 -12.769   8.823
   13    HB2  SER   3           1HB      SER   3  -9.970 -13.275  10.658
   14    HB3  SER   3           2HB      SER   3  -8.544 -14.311  10.470
   15    HG   SER   3           HG       SER   3  -8.346 -12.868  12.252
   16    H    GLY   4           H        GLY   4 -11.043 -12.745   7.886
   17    HA2  GLY   4           1HA      GLY   4 -10.966 -15.381   6.639
   18    HA3  GLY   4           2HA      GLY   4 -12.257 -14.186   6.549
   19    H    SER   5           H        SER   5  -9.999 -12.222   5.516
   20    HA   SER   5           HA       SER   5 -10.631 -12.513   2.732
   21    HB2  SER   5           1HB      SER   5  -8.492 -10.790   4.032
   22    HB3  SER   5           2HB      SER   5  -9.145 -10.596   2.398
   23    HG   SER   5           HG       SER   5 -11.184 -10.145   3.316
   24    H    SER   6           H        SER   6  -9.552 -13.390   1.048
   25    HA   SER   6           HA       SER   6  -7.253 -15.123   1.487
   26    HB2  SER   6           1HB      SER   6  -9.127 -15.583  -0.100
   27    HB3  SER   6           2HB      SER   6  -8.548 -14.254  -1.124
   28    HG   SER   6           HG       SER   6  -7.755 -16.331  -1.772
   29    H    GLY   7           H        GLY   7  -7.699 -11.860   0.188
   30    HA2  GLY   7           1HA      GLY   7  -5.058 -10.986   0.653
   31    HA3  GLY   7           2HA      GLY   7  -5.161 -11.457  -1.048
   32    H    LYS   8           H        LYS   8  -4.547  -9.018  -0.888
   33    HA   LYS   8           HA       LYS   8  -6.995  -7.360  -1.350
   34    HB2  LYS   8           1HB      LYS   8  -4.451  -6.671   0.135
   35    HB3  LYS   8           2HB      LYS   8  -5.410  -5.420  -0.631
   36    HG2  LYS   8           1HG      LYS   8  -6.117  -5.309   1.523
   37    HG3  LYS   8           2HG      LYS   8  -7.400  -6.246   0.774
   38    HD2  LYS   8           1HD      LYS   8  -6.645  -8.269   1.805
   39    HD3  LYS   8           2HD      LYS   8  -5.070  -7.590   2.235
   40    HE2  LYS   8           1HE      LYS   8  -7.698  -6.514   3.342
   41    HE3  LYS   8           2HE      LYS   8  -6.835  -7.856   4.097
   42    HZ1  LYS   8           3HZ      LYS   8  -5.638  -5.152   3.696
   43    HZ2  LYS   8           1HZ      LYS   8  -4.932  -6.424   4.444
   44    HZ3  LYS   8           2HZ      LYS   8  -6.243  -5.719   5.102
   45    HA   PRO   9           HA       PRO   9  -5.164  -6.509  -5.288
   46    HB2  PRO   9           1HB      PRO   9  -6.263  -4.108  -5.980
   47    HB3  PRO   9           2HB      PRO   9  -7.197  -5.634  -5.885
   48    HG2  PRO   9           1HG      PRO   9  -6.882  -3.527  -3.720
   49    HG3  PRO   9           2HG      PRO   9  -8.415  -4.206  -4.373
   50    HD2  PRO   9           1HD      PRO   9  -7.304  -5.159  -2.106
   51    HD3  PRO   9           2HD      PRO   9  -7.988  -6.301  -3.307
   52    H    PHE  10           H        PHE  10  -4.872  -3.776  -2.919
   53    HA   PHE  10           HA       PHE  10  -2.339  -2.919  -4.274
   54    HB2  PHE  10           1HB      PHE  10  -4.169  -1.236  -2.574
   55    HB3  PHE  10           2HB      PHE  10  -2.797  -0.718  -3.513
   56    HD1  PHE  10           1HD      PHE  10  -2.778  -1.087  -6.048
   57    HD2  PHE  10           2HD      PHE  10  -6.341  -1.255  -3.636
   58    HE1  PHE  10           1HE      PHE  10  -4.153  -0.868  -8.082
   59    HE2  PHE  10           2HE      PHE  10  -7.738  -1.063  -5.684
   60    HZ   PHE  10           HZ       PHE  10  -6.648  -0.877  -7.918
   61    H    LYS  11           H        LYS  11  -1.060  -4.242  -3.388
   62    HA   LYS  11           HA       LYS  11  -0.418  -4.207  -0.489
   63    HB2  LYS  11           1HB      LYS  11  -0.407  -6.370  -1.517
   64    HB3  LYS  11           2HB      LYS  11   0.521  -5.799  -2.894
   65    HG2  LYS  11           1HG      LYS  11   1.877  -7.199  -1.493
   66    HG3  LYS  11           2HG      LYS  11   2.528  -5.568  -1.544
   67    HD2  LYS  11           1HD      LYS  11   1.787  -5.175   0.755
   68    HD3  LYS  11           2HD      LYS  11   0.813  -6.662   0.732
   69    HE2  LYS  11           1HE      LYS  11   2.820  -7.197   1.915
   70    HE3  LYS  11           2HE      LYS  11   2.910  -7.989   0.346
   71    HZ1  LYS  11           3HZ      LYS  11   4.258  -5.437   1.070
   72    HZ2  LYS  11           1HZ      LYS  11   4.327  -6.109  -0.407
   73    HZ3  LYS  11           2HZ      LYS  11   5.009  -6.884   0.868
   74    H    CYS  12           H        CYS  12   0.889  -2.835   0.290
   75    HA   CYS  12           HA       CYS  12   2.463  -0.833  -0.922
   76    HB2  CYS  12           1HB      CYS  12   1.708  -0.930   1.416
   77    HB3  CYS  12           2HB      CYS  12   2.752  -2.325   1.712
   78    H    SER  13           H        SER  13   4.478  -0.757  -1.776
   79    HA   SER  13           HA       SER  13   5.874  -3.253  -2.418
   80    HB2  SER  13           1HB      SER  13   7.349  -1.773  -3.745
   81    HB3  SER  13           2HB      SER  13   5.633  -1.593  -4.143
   82    HG   SER  13           HG       SER  13   6.702   0.434  -3.916
   83    H    LEU  14           H        LEU  14   5.895  -1.349   0.276
   84    HA   LEU  14           HA       LEU  14   8.831  -1.595   0.832
   85    HB2  LEU  14           1HB      LEU  14   6.784   0.300   2.026
   86    HB3  LEU  14           2HB      LEU  14   8.518   0.376   2.220
   87    HG   LEU  14           HG       LEU  14   7.111   0.748  -0.475
   88   HD11  LEU  14          1HD1      LEU  14   7.550   3.123  -0.243
   89   HD12  LEU  14          2HD1      LEU  14   8.197   2.852   1.399
   90   HD13  LEU  14          3HD1      LEU  14   6.482   2.528   1.025
   91   HD21  LEU  14          3HD2      LEU  14   9.275   1.691  -1.192
   92   HD22  LEU  14          1HD2      LEU  14   9.451   0.005  -0.690
   93   HD23  LEU  14          2HD2      LEU  14   9.976   1.311   0.399
   94    H    CYS  15           H        CYS  15   5.605  -1.963   2.222
   95    HA   CYS  15           HA       CYS  15   6.687  -3.782   4.317
   96    HB2  CYS  15           1HB      CYS  15   5.609  -2.705   6.053
   97    HB3  CYS  15           2HB      CYS  15   6.314  -1.411   5.129
   98    H    GLU  16           H        GLU  16   4.541  -4.570   5.593
   99    HA   GLU  16           HA       GLU  16   3.236  -6.287   3.581
  100    HB2  GLU  16           1HB      GLU  16   4.419  -7.047   5.771
  101    HB3  GLU  16           2HB      GLU  16   2.942  -6.534   6.591
  102    HG2  GLU  16           1HG      GLU  16   1.643  -8.183   5.263
  103    HG3  GLU  16           2HG      GLU  16   3.079  -8.568   4.312
  104    H    TYR  17           H        TYR  17   2.451  -3.327   4.524
  105    HA   TYR  17           HA       TYR  17  -0.356  -3.505   5.153
  106    HB2  TYR  17           1HB      TYR  17   1.030  -1.519   5.439
  107    HB3  TYR  17           2HB      TYR  17   1.309  -1.408   3.722
  108    HD1  TYR  17           1HD      TYR  17  -0.472  -0.599   2.201
  109    HD2  TYR  17           2HD      TYR  17  -1.107  -0.824   6.454
  110    HE1  TYR  17           1HE      TYR  17  -2.397   0.994   1.985
  111    HE2  TYR  17           2HE      TYR  17  -3.043   0.735   6.238
  112    HH   TYR  17           HH       TYR  17  -4.016   2.162   3.117
  113    H    ALA  18           H        ALA  18  -2.170  -3.711   3.931
  114    HA   ALA  18           HA       ALA  18  -2.039  -3.154   1.113
  115    HB1  ALA  18           1HB      ALA  18  -2.956  -5.947   1.886
  116    HB2  ALA  18           2HB      ALA  18  -2.781  -5.254   0.242
  117    HB3  ALA  18           3HB      ALA  18  -1.346  -5.581   1.234
  118    H    THR  19           H        THR  19  -3.973  -2.749   0.115
  119    HA   THR  19           HA       THR  19  -6.452  -2.637   1.774
  120    HB   THR  19           HB       THR  19  -5.208  -0.539   2.158
  121    HG1  THR  19           1HG      THR  19  -7.463  -0.445   2.036
  122   HG21  THR  19          3HG2      THR  19  -3.860  -0.392   0.173
  123   HG22  THR  19          1HG2      THR  19  -4.844   1.050   0.399
  124   HG23  THR  19          2HG2      THR  19  -5.306  -0.141  -0.833
  125    H    ARG  20           H        ARG  20  -8.340  -1.930   0.563
  126    HA   ARG  20           HA       ARG  20  -8.553  -3.133  -2.126
  127    HB2  ARG  20           1HB      ARG  20 -10.554  -2.067  -0.106
  128    HB3  ARG  20           2HB      ARG  20 -11.037  -2.568  -1.718
  129    HG2  ARG  20           1HG      ARG  20  -9.556  -4.421   0.196
  130    HG3  ARG  20           2HG      ARG  20 -11.310  -4.295   0.143
  131    HD2  ARG  20           1HD      ARG  20  -9.608  -5.042  -2.272
  132    HD3  ARG  20           2HD      ARG  20 -10.320  -6.219  -1.188
  133    HE   ARG  20           HE       ARG  20 -11.679  -4.576  -3.215
  134   HH11  ARG  20          2HH1      ARG  20 -12.251  -6.641  -0.433
  135   HH12  ARG  20          1HH1      ARG  20 -13.907  -6.936  -0.890
  136   HH21  ARG  20          2HH2      ARG  20 -13.792  -4.997  -3.725
  137   HH22  ARG  20          1HH2      ARG  20 -14.747  -6.028  -2.702
  138    H    SER  21           H        SER  21  -7.885  -0.003  -0.986
  139    HA   SER  21           HA       SER  21  -8.873   1.200  -3.559
  140    HB2  SER  21           1HB      SER  21 -10.144   2.128  -1.784
  141    HB3  SER  21           2HB      SER  21  -8.700   2.409  -0.796
  142    HG   SER  21           HG       SER  21  -9.555   4.277  -2.005
  143    H    LYS  22           H        LYS  22  -7.403   1.928  -4.913
  144    HA   LYS  22           HA       LYS  22  -4.596   1.969  -4.366
  145    HB2  LYS  22           1HB      LYS  22  -4.317   2.923  -6.550
  146    HB3  LYS  22           2HB      LYS  22  -5.521   1.648  -6.602
  147    HG2  LYS  22           1HG      LYS  22  -7.344   3.345  -6.682
  148    HG3  LYS  22           2HG      LYS  22  -6.141   4.632  -6.572
  149    HD2  LYS  22           1HD      LYS  22  -6.777   4.437  -8.875
  150    HD3  LYS  22           2HD      LYS  22  -5.115   3.899  -8.691
  151    HE2  LYS  22           1HE      LYS  22  -6.131   2.393 -10.207
  152    HE3  LYS  22           2HE      LYS  22  -5.937   1.505  -8.698
  153    HZ1  LYS  22           3HZ      LYS  22  -8.462   2.781  -9.636
  154    HZ2  LYS  22           1HZ      LYS  22  -8.316   1.929  -8.249
  155    HZ3  LYS  22           2HZ      LYS  22  -8.148   1.185  -9.691
  156    H    SER  23           H        SER  23  -7.017   4.529  -4.079
  157    HA   SER  23           HA       SER  23  -5.036   6.616  -3.581
  158    HB2  SER  23           1HB      SER  23  -8.041   6.506  -3.426
  159    HB3  SER  23           2HB      SER  23  -7.142   7.839  -2.678
  160    HG   SER  23           HG       SER  23  -7.165   7.062  -5.406
  161    H    ASN  24           H        ASN  24  -6.633   4.214  -1.552
  162    HA   ASN  24           HA       ASN  24  -5.815   5.540   0.932
  163    HB2  ASN  24           1HB      ASN  24  -7.802   4.008   0.733
  164    HB3  ASN  24           2HB      ASN  24  -6.680   2.662   0.485
  165   HD21  ASN  24          1HD2      ASN  24  -6.890   1.516   2.351
  166   HD22  ASN  24          2HD2      ASN  24  -6.629   2.197   3.959
  167    H    LEU  25           H        LEU  25  -4.527   2.730  -1.011
  168    HA   LEU  25           HA       LEU  25  -2.158   2.494   0.490
  169    HB2  LEU  25           1HB      LEU  25  -2.706   0.836  -1.199
  170    HB3  LEU  25           2HB      LEU  25  -2.549   2.019  -2.495
  171    HG   LEU  25           HG       LEU  25  -0.181   2.208  -2.048
  172   HD11  LEU  25          1HD1      LEU  25  -0.562   0.153   0.157
  173   HD12  LEU  25          2HD1      LEU  25  -0.133   1.862   0.409
  174   HD13  LEU  25          3HD1      LEU  25   0.999   0.793  -0.400
  175   HD21  LEU  25          3HD2      LEU  25  -0.864   0.426  -3.564
  176   HD22  LEU  25          1HD2      LEU  25  -0.924  -0.708  -2.186
  177   HD23  LEU  25          2HD2      LEU  25   0.617   0.012  -2.685
  178    H    LYS  26           H        LYS  26  -2.705   4.585  -2.317
  179    HA   LYS  26           HA       LYS  26  -0.249   5.941  -2.555
  180    HB2  LYS  26           1HB      LYS  26  -2.183   6.272  -4.019
  181    HB3  LYS  26           2HB      LYS  26  -3.105   6.944  -2.679
  182    HG2  LYS  26           1HG      LYS  26  -1.435   8.907  -2.657
  183    HG3  LYS  26           2HG      LYS  26  -0.813   8.228  -4.173
  184    HD2  LYS  26           1HD      LYS  26  -2.436   9.795  -4.871
  185    HD3  LYS  26           2HD      LYS  26  -3.279   8.236  -4.965
  186    HE2  LYS  26           1HE      LYS  26  -4.224   8.738  -2.637
  187    HE3  LYS  26           2HE      LYS  26  -3.510  10.346  -2.778
  188    HZ1  LYS  26           3HZ      LYS  26  -4.876  10.634  -4.832
  189    HZ2  LYS  26           1HZ      LYS  26  -5.790  10.431  -3.498
  190    HZ3  LYS  26           2HZ      LYS  26  -5.616   9.195  -4.545
  191    H    ALA  27           H        ALA  27  -2.834   6.591  -0.238
  192    HA   ALA  27           HA       ALA  27  -1.550   8.849   1.057
  193    HB1  ALA  27           1HB      ALA  27  -3.785   7.030   2.054
  194    HB2  ALA  27           2HB      ALA  27  -3.345   8.619   2.709
  195    HB3  ALA  27           3HB      ALA  27  -3.997   8.492   1.062
  196    H    HIS  28           H        HIS  28  -1.635   5.341   1.765
  197    HA   HIS  28           HA       HIS  28  -0.057   5.428   4.175
  198    HB2  HIS  28           1HB      HIS  28  -1.450   3.578   3.778
  199    HB3  HIS  28           2HB      HIS  28  -0.777   3.284   2.184
  200    HD1  HIS  28           1HD      HIS  28   0.045   2.683   5.862
  201    HD2  HIS  28           2HD      HIS  28   1.572   2.031   2.000
  202    HE1  HIS  28           1HE      HIS  28   1.995   1.089   6.150
  203    H    MET  29           H        MET  29   0.826   5.080   0.715
  204    HA   MET  29           HA       MET  29   3.618   4.602   1.083
  205    HB2  MET  29           1HB      MET  29   2.226   5.976  -1.240
  206    HB3  MET  29           2HB      MET  29   3.834   5.271  -1.271
  207    HG2  MET  29           1HG      MET  29   1.814   3.282  -0.411
  208    HG3  MET  29           2HG      MET  29   1.390   4.064  -1.893
  209    HE1  MET  29           3HE      MET  29   5.002   3.128  -0.652
  210    HE2  MET  29           1HE      MET  29   3.850   1.899  -0.083
  211    HE3  MET  29           2HE      MET  29   5.081   1.468  -1.295
  212    H    ASN  30           H        ASN  30   1.771   7.639   1.013
  213    HA   ASN  30           HA       ASN  30   4.077   9.384   1.043
  214    HB2  ASN  30           1HB      ASN  30   1.127   9.731   1.613
  215    HB3  ASN  30           2HB      ASN  30   2.273  10.991   2.060
  216   HD21  ASN  30          1HD2      ASN  30   1.081   9.129  -0.788
  217   HD22  ASN  30          2HD2      ASN  30   1.594  10.372  -1.923
  218    H    ARG  31           H        ARG  31   2.610   7.459   3.600
  219    HA   ARG  31           HA       ARG  31   3.874   8.921   5.809
  220    HB2  ARG  31           1HB      ARG  31   2.928   6.030   5.797
  221    HB3  ARG  31           2HB      ARG  31   3.247   7.048   7.195
  222    HG2  ARG  31           1HG      ARG  31   1.370   8.551   6.567
  223    HG3  ARG  31           2HG      ARG  31   1.021   7.516   5.170
  224    HD2  ARG  31           1HD      ARG  31   0.655   5.590   6.706
  225    HD3  ARG  31           2HD      ARG  31   0.895   6.683   8.087
  226    HE   ARG  31           HE       ARG  31  -1.105   7.779   6.363
  227   HH11  ARG  31          2HH1      ARG  31  -0.785   5.133   8.641
  228   HH12  ARG  31          1HH1      ARG  31  -2.494   5.096   8.977
  229   HH21  ARG  31          2HH2      ARG  31  -3.271   7.686   6.852
  230   HH22  ARG  31          1HH2      ARG  31  -3.857   6.509   7.987
  231    H    HIS  32           H        HIS  32   4.835   6.275   3.674
  232    HA   HIS  32           HA       HIS  32   7.358   5.763   5.060
  233    HB2  HIS  32           1HB      HIS  32   6.353   5.052   2.274
  234    HB3  HIS  32           2HB      HIS  32   7.921   4.590   2.905
  235    HD1  HIS  32           1HD      HIS  32   7.780   3.005   5.260
  236    HD2  HIS  32           2HD      HIS  32   4.567   3.189   2.557
  237    HE1  HIS  32           1HE      HIS  32   6.472   0.861   5.599
  238    H    SER  33           H        SER  33   6.254   8.143   2.763
  239    HA   SER  33           HA       SER  33   8.823   8.633   1.505
  240    HB2  SER  33           1HB      SER  33   6.194  10.147   1.355
  241    HB3  SER  33           2HB      SER  33   7.603  10.458   0.341
  242    HG   SER  33           HG       SER  33   6.156   7.993   0.481
  243    H    THR  34           H        THR  34   7.706   9.722   4.528
  244    HA   THR  34           HA       THR  34   8.896  12.391   4.448
  245    HB   THR  34           HB       THR  34   8.502  12.388   6.895
  246    HG1  THR  34           1HG      THR  34   7.320  10.667   7.758
  247   HG21  THR  34          3HG2      THR  34   6.735  13.150   5.317
  248   HG22  THR  34          1HG2      THR  34   6.065  12.437   6.794
  249   HG23  THR  34          2HG2      THR  34   6.067  11.503   5.282
  250    H    GLU  35           H        GLU  35  10.686  13.109   5.719
  251    HA   GLU  35           HA       GLU  35  12.648  11.135   6.663
  252    HB2  GLU  35           1HB      GLU  35  13.071  11.388   4.210
  253    HB3  GLU  35           2HB      GLU  35  13.265  13.125   4.433
  254    HG2  GLU  35           1HG      GLU  35  15.419  12.027   4.202
  255    HG3  GLU  35           2HG      GLU  35  15.284  12.754   5.790
  256    H    LYS  36           H        LYS  36  14.306  12.051   7.974
  257    HA   LYS  36           HA       LYS  36  13.915  14.859   8.935
  258    HB2  LYS  36           1HB      LYS  36  14.096  12.368  10.678
  259    HB3  LYS  36           2HB      LYS  36  14.224  14.016  11.278
  260    HG2  LYS  36           1HG      LYS  36  11.757  12.846   9.911
  261    HG3  LYS  36           2HG      LYS  36  12.005  12.995  11.649
  262    HD2  LYS  36           1HD      LYS  36  12.152  15.481  11.424
  263    HD3  LYS  36           2HD      LYS  36  11.891  15.326   9.685
  264    HE2  LYS  36           1HE      LYS  36   9.799  15.922  10.618
  265    HE3  LYS  36           2HE      LYS  36   9.687  14.233  10.119
  266    HZ1  LYS  36           3HZ      LYS  36   8.731  14.609  12.331
  267    HZ2  LYS  36           1HZ      LYS  36  10.151  15.165  12.908
  268    HZ3  LYS  36           2HZ      LYS  36  10.003  13.599  12.457
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1   7.707 -11.489   5.903
    2    H2   GLY   1           2H       GLY   1   6.649 -11.110   7.100
    3    H3   GLY   1           3H       GLY   1   6.241 -10.846   5.534
    4    HA2  GLY   1           1HA      GLY   1   6.648 -13.477   6.800
    5    HA3  GLY   1           2HA      GLY   1   5.091 -12.781   6.311
    6    H    SER   2           H        SER   2   4.731 -14.636   4.960
    7    HA   SER   2           HA       SER   2   6.505 -15.465   2.879
    8    HB2  SER   2           1HB      SER   2   3.500 -15.872   3.109
    9    HB3  SER   2           2HB      SER   2   4.610 -16.782   2.066
   10    HG   SER   2           HG       SER   2   4.174 -17.877   4.047
   11    H    SER   3           H        SER   3   6.535 -15.117   0.671
   12    HA   SER   3           HA       SER   3   5.413 -12.597  -0.320
   13    HB2  SER   3           1HB      SER   3   6.760 -13.111  -2.340
   14    HB3  SER   3           2HB      SER   3   7.697 -13.045  -0.838
   15    HG   SER   3           HG       SER   3   8.258 -14.862  -2.137
   16    H    GLY   4           H        GLY   4   4.180 -12.364  -2.219
   17    HA2  GLY   4           1HA      GLY   4   2.507 -12.828  -3.738
   18    HA3  GLY   4           2HA      GLY   4   2.935 -14.531  -3.648
   19    H    SER   5           H        SER   5   0.531 -14.550  -3.987
   20    HA   SER   5           HA       SER   5  -1.606 -14.922  -3.334
   21    HB2  SER   5           1HB      SER   5  -0.223 -16.116  -0.917
   22    HB3  SER   5           2HB      SER   5  -1.863 -16.490  -1.480
   23    HG   SER   5           HG       SER   5  -0.313 -18.013  -2.238
   24    H    SER   6           H        SER   6  -0.884 -12.250  -2.706
   25    HA   SER   6           HA       SER   6  -1.588 -11.364  -0.142
   26    HB2  SER   6           1HB      SER   6  -1.975  -9.897  -2.779
   27    HB3  SER   6           2HB      SER   6  -1.860  -9.160  -1.168
   28    HG   SER   6           HG       SER   6   0.142  -9.165  -2.379
   29    H    GLY   7           H        GLY   7  -3.444 -10.840   0.913
   30    HA2  GLY   7           1HA      GLY   7  -5.983 -11.879   0.059
   31    HA3  GLY   7           2HA      GLY   7  -5.672 -10.859   1.473
   32    H    LYS   8           H        LYS   8  -4.522  -8.784  -0.474
   33    HA   LYS   8           HA       LYS   8  -7.081  -7.518  -1.338
   34    HB2  LYS   8           1HB      LYS   8  -5.013  -6.501   0.633
   35    HB3  LYS   8           2HB      LYS   8  -6.124  -5.403  -0.189
   36    HG2  LYS   8           1HG      LYS   8  -8.065  -6.555   0.700
   37    HG3  LYS   8           2HG      LYS   8  -7.072  -7.806   1.446
   38    HD2  LYS   8           1HD      LYS   8  -6.883  -4.882   2.202
   39    HD3  LYS   8           2HD      LYS   8  -7.947  -6.058   3.001
   40    HE2  LYS   8           1HE      LYS   8  -6.072  -7.429   3.687
   41    HE3  LYS   8           2HE      LYS   8  -4.932  -6.418   2.792
   42    HZ1  LYS   8           3HZ      LYS   8  -6.568  -5.438   5.071
   43    HZ2  LYS   8           1HZ      LYS   8  -5.412  -4.589   4.262
   44    HZ3  LYS   8           2HZ      LYS   8  -4.999  -5.878   5.181
   45    HA   PRO   9           HA       PRO   9  -5.102  -6.583  -5.012
   46    HB2  PRO   9           1HB      PRO   9  -6.208  -4.233  -5.876
   47    HB3  PRO   9           2HB      PRO   9  -7.091  -5.787  -5.765
   48    HG2  PRO   9           1HG      PRO   9  -6.972  -3.577  -3.691
   49    HG3  PRO   9           2HG      PRO   9  -8.442  -4.349  -4.385
   50    HD2  PRO   9           1HD      PRO   9  -7.438  -5.159  -2.026
   51    HD3  PRO   9           2HD      PRO   9  -7.976  -6.386  -3.212
   52    H    PHE  10           H        PHE  10  -4.881  -3.684  -2.849
   53    HA   PHE  10           HA       PHE  10  -2.374  -2.885  -4.279
   54    HB2  PHE  10           1HB      PHE  10  -4.172  -1.192  -2.557
   55    HB3  PHE  10           2HB      PHE  10  -2.804  -0.671  -3.512
   56    HD1  PHE  10           1HD      PHE  10  -2.787  -1.049  -6.034
   57    HD2  PHE  10           2HD      PHE  10  -6.347  -1.325  -3.626
   58    HE1  PHE  10           1HE      PHE  10  -4.168  -0.933  -8.077
   59    HE2  PHE  10           2HE      PHE  10  -7.744  -1.235  -5.680
   60    HZ   PHE  10           HZ       PHE  10  -6.658  -1.003  -7.913
   61    H    LYS  11           H        LYS  11  -1.079  -4.205  -3.439
   62    HA   LYS  11           HA       LYS  11  -0.361  -4.231  -0.568
   63    HB2  LYS  11           1HB      LYS  11  -0.367  -6.337  -1.813
   64    HB3  LYS  11           2HB      LYS  11   0.714  -5.670  -3.029
   65    HG2  LYS  11           1HG      LYS  11   1.877  -7.203  -1.528
   66    HG3  LYS  11           2HG      LYS  11   2.561  -5.585  -1.435
   67    HD2  LYS  11           1HD      LYS  11   1.589  -5.222   0.735
   68    HD3  LYS  11           2HD      LYS  11   0.480  -6.594   0.535
   69    HE2  LYS  11           1HE      LYS  11   2.174  -7.270   2.053
   70    HE3  LYS  11           2HE      LYS  11   2.398  -8.159   0.549
   71    HZ1  LYS  11           3HZ      LYS  11   4.446  -7.267   1.556
   72    HZ2  LYS  11           1HZ      LYS  11   3.956  -5.725   1.274
   73    HZ3  LYS  11           2HZ      LYS  11   4.249  -6.725   0.005
   74    H    CYS  12           H        CYS  12   0.919  -2.821   0.234
   75    HA   CYS  12           HA       CYS  12   2.489  -0.814  -0.993
   76    HB2  CYS  12           1HB      CYS  12   1.721  -0.878   1.341
   77    HB3  CYS  12           2HB      CYS  12   2.761  -2.271   1.660
   78    H    SER  13           H        SER  13   4.506  -0.754  -1.836
   79    HA   SER  13           HA       SER  13   5.901  -3.255  -2.458
   80    HB2  SER  13           1HB      SER  13   7.389  -1.783  -3.779
   81    HB3  SER  13           2HB      SER  13   5.676  -1.596  -4.189
   82    HG   SER  13           HG       SER  13   6.759   0.424  -3.963
   83    H    LEU  14           H        LEU  14   5.925  -1.304   0.212
   84    HA   LEU  14           HA       LEU  14   8.857  -1.553   0.781
   85    HB2  LEU  14           1HB      LEU  14   6.794   0.322   1.979
   86    HB3  LEU  14           2HB      LEU  14   8.527   0.413   2.173
   87    HG   LEU  14           HG       LEU  14   7.127   0.781  -0.526
   88   HD11  LEU  14          1HD1      LEU  14   7.568   3.160  -0.286
   89   HD12  LEU  14          2HD1      LEU  14   8.173   2.886   1.370
   90   HD13  LEU  14          3HD1      LEU  14   6.468   2.556   0.949
   91   HD21  LEU  14          3HD2      LEU  14   9.288   1.740  -1.232
   92   HD22  LEU  14          1HD2      LEU  14   9.473   0.056  -0.730
   93   HD23  LEU  14          2HD2      LEU  14   9.983   1.364   0.363
   94    H    CYS  15           H        CYS  15   5.627  -1.944   2.153
   95    HA   CYS  15           HA       CYS  15   6.707  -3.769   4.239
   96    HB2  CYS  15           1HB      CYS  15   5.578  -2.735   5.973
   97    HB3  CYS  15           2HB      CYS  15   6.343  -1.425   5.100
   98    H    GLU  16           H        GLU  16   4.555  -4.527   5.524
   99    HA   GLU  16           HA       GLU  16   3.212  -6.220   3.522
  100    HB2  GLU  16           1HB      GLU  16   4.403  -6.813   5.940
  101    HB3  GLU  16           2HB      GLU  16   2.730  -6.648   6.427
  102    HG2  GLU  16           1HG      GLU  16   2.957  -8.933   5.904
  103    HG3  GLU  16           2HG      GLU  16   2.224  -8.296   4.435
  104    H    TYR  17           H        TYR  17   2.466  -3.291   4.443
  105    HA   TYR  17           HA       TYR  17  -0.340  -3.454   5.115
  106    HB2  TYR  17           1HB      TYR  17   1.006  -1.452   5.384
  107    HB3  TYR  17           2HB      TYR  17   1.339  -1.375   3.673
  108    HD1  TYR  17           1HD      TYR  17  -0.452  -0.688   2.060
  109    HD2  TYR  17           2HD      TYR  17  -1.117  -0.633   6.315
  110    HE1  TYR  17           1HE      TYR  17  -2.411   0.842   1.733
  111    HE2  TYR  17           2HE      TYR  17  -3.066   0.886   5.984
  112    HH   TYR  17           HH       TYR  17  -4.349   2.030   4.482
  113    H    ALA  18           H        ALA  18  -2.147  -3.690   3.904
  114    HA   ALA  18           HA       ALA  18  -2.017  -3.174   1.065
  115    HB1  ALA  18           1HB      ALA  18  -2.940  -5.913   2.012
  116    HB2  ALA  18           2HB      ALA  18  -2.963  -5.307   0.326
  117    HB3  ALA  18           3HB      ALA  18  -1.420  -5.571   1.177
  118    H    THR  19           H        THR  19  -3.973  -2.727   0.073
  119    HA   THR  19           HA       THR  19  -6.425  -2.564   1.760
  120    HB   THR  19           HB       THR  19  -5.145  -0.471   2.092
  121    HG1  THR  19           1HG      THR  19  -7.386  -0.413   2.129
  122   HG21  THR  19          3HG2      THR  19  -5.465  -0.015  -0.881
  123   HG22  THR  19          1HG2      THR  19  -3.943  -0.348  -0.019
  124   HG23  THR  19          2HG2      THR  19  -4.854   1.112   0.348
  125    H    ARG  20           H        ARG  20  -8.317  -1.818   0.536
  126    HA   ARG  20           HA       ARG  20  -8.561  -3.198  -2.068
  127    HB2  ARG  20           1HB      ARG  20 -10.529  -2.088  -0.048
  128    HB3  ARG  20           2HB      ARG  20 -11.054  -2.630  -1.633
  129    HG2  ARG  20           1HG      ARG  20  -9.463  -4.431   0.237
  130    HG3  ARG  20           2HG      ARG  20 -11.217  -4.319   0.298
  131    HD2  ARG  20           1HD      ARG  20  -9.694  -5.080  -2.225
  132    HD3  ARG  20           2HD      ARG  20 -10.289  -6.255  -1.071
  133    HE   ARG  20           HE       ARG  20 -11.845  -4.670  -2.999
  134   HH11  ARG  20          2HH1      ARG  20 -12.143  -6.703  -0.152
  135   HH12  ARG  20          1HH1      ARG  20 -13.823  -7.038  -0.467
  136   HH21  ARG  20          1HH2      ARG  20 -13.981  -5.141  -3.327
  137   HH22  ARG  20          2HH2      ARG  20 -14.828  -6.175  -2.214
  138    H    SER  21           H        SER  21  -7.940  -0.004  -1.130
  139    HA   SER  21           HA       SER  21  -8.897   1.012  -3.793
  140    HB2  SER  21           1HB      SER  21  -8.911   2.482  -1.135
  141    HB3  SER  21           2HB      SER  21  -9.369   3.167  -2.703
  142    HG   SER  21           HG       SER  21 -11.100   1.711  -2.804
  143    H    LYS  22           H        LYS  22  -7.344   1.772  -5.063
  144    HA   LYS  22           HA       LYS  22  -4.620   1.920  -4.318
  145    HB2  LYS  22           1HB      LYS  22  -4.211   2.745  -6.530
  146    HB3  LYS  22           2HB      LYS  22  -5.471   1.534  -6.589
  147    HG2  LYS  22           1HG      LYS  22  -7.204   3.323  -6.779
  148    HG3  LYS  22           2HG      LYS  22  -5.927   4.544  -6.715
  149    HD2  LYS  22           1HD      LYS  22  -6.588   4.238  -9.000
  150    HD3  LYS  22           2HD      LYS  22  -4.937   3.638  -8.796
  151    HE2  LYS  22           1HE      LYS  22  -5.788   1.308  -8.700
  152    HE3  LYS  22           2HE      LYS  22  -7.451   1.900  -8.832
  153    HZ1  LYS  22           3HZ      LYS  22  -5.352   2.243 -10.912
  154    HZ2  LYS  22           1HZ      LYS  22  -6.888   2.785 -11.034
  155    HZ3  LYS  22           2HZ      LYS  22  -6.590   1.184 -10.989
  156    H    SER  23           H        SER  23  -7.037   4.459  -4.260
  157    HA   SER  23           HA       SER  23  -5.311   6.706  -3.767
  158    HB2  SER  23           1HB      SER  23  -7.453   7.733  -2.935
  159    HB3  SER  23           2HB      SER  23  -7.552   7.038  -4.564
  160    HG   SER  23           HG       SER  23  -9.340   6.437  -3.226
  161    H    ASN  24           H        ASN  24  -6.585   4.169  -1.659
  162    HA   ASN  24           HA       ASN  24  -5.837   5.583   0.804
  163    HB2  ASN  24           1HB      ASN  24  -7.824   4.023   0.571
  164    HB3  ASN  24           2HB      ASN  24  -6.684   2.685   0.422
  165   HD21  ASN  24          2HD2      ASN  24  -7.180   1.635   2.315
  166   HD22  ASN  24          1HD2      ASN  24  -7.023   2.367   3.912
  167    H    LEU  25           H        LEU  25  -4.541   2.766  -1.106
  168    HA   LEU  25           HA       LEU  25  -2.192   2.496   0.424
  169    HB2  LEU  25           1HB      LEU  25  -2.705   0.857  -1.285
  170    HB3  LEU  25           2HB      LEU  25  -2.548   2.051  -2.571
  171    HG   LEU  25           HG       LEU  25  -0.188   2.257  -2.097
  172   HD11  LEU  25          1HD1      LEU  25   0.994   0.829  -0.465
  173   HD12  LEU  25          2HD1      LEU  25  -0.565   0.159   0.063
  174   HD13  LEU  25          3HD1      LEU  25  -0.162   1.867   0.357
  175   HD21  LEU  25          3HD2      LEU  25  -0.875  -0.671  -2.270
  176   HD22  LEU  25          1HD2      LEU  25   0.649   0.087  -2.760
  177   HD23  LEU  25          2HD2      LEU  25  -0.843   0.475  -3.639
  178    H    LYS  26           H        LYS  26  -2.710   4.638  -2.370
  179    HA   LYS  26           HA       LYS  26  -0.247   5.986  -2.528
  180    HB2  LYS  26           1HB      LYS  26  -2.216   6.381  -3.993
  181    HB3  LYS  26           2HB      LYS  26  -3.065   7.132  -2.650
  182    HG2  LYS  26           1HG      LYS  26  -1.055   8.861  -2.654
  183    HG3  LYS  26           2HG      LYS  26  -0.719   8.177  -4.246
  184    HD2  LYS  26           1HD      LYS  26  -2.102  10.052  -4.643
  185    HD3  LYS  26           2HD      LYS  26  -3.191   8.656  -4.792
  186    HE2  LYS  26           1HE      LYS  26  -4.022   9.039  -2.493
  187    HE3  LYS  26           2HE      LYS  26  -2.870  10.363  -2.282
  188    HZ1  LYS  26           3HZ      LYS  26  -4.015  11.574  -4.050
  189    HZ2  LYS  26           1HZ      LYS  26  -5.077  11.189  -2.874
  190    HZ3  LYS  26           2HZ      LYS  26  -5.075  10.353  -4.278
  191    H    ALA  27           H        ALA  27  -2.859   6.599  -0.235
  192    HA   ALA  27           HA       ALA  27  -1.596   8.826   1.132
  193    HB1  ALA  27           1HB      ALA  27  -3.433   8.600   2.710
  194    HB2  ALA  27           2HB      ALA  27  -4.057   8.445   1.052
  195    HB3  ALA  27           3HB      ALA  27  -3.845   6.998   2.070
  196    H    HIS  28           H        HIS  28  -1.614   5.312   1.678
  197    HA   HIS  28           HA       HIS  28  -0.122   5.381   4.167
  198    HB2  HIS  28           1HB      HIS  28  -1.489   3.517   3.758
  199    HB3  HIS  28           2HB      HIS  28  -0.823   3.250   2.154
  200    HD1  HIS  28           1HD      HIS  28   0.066   2.664   5.829
  201    HD2  HIS  28           2HD      HIS  28   1.549   2.030   1.945
  202    HE1  HIS  28           1HE      HIS  28   2.084   1.149   6.096
  203    H    MET  29           H        MET  29   0.799   5.045   0.714
  204    HA   MET  29           HA       MET  29   3.571   4.530   1.106
  205    HB2  MET  29           1HB      MET  29   2.237   5.961  -1.217
  206    HB3  MET  29           2HB      MET  29   3.838   5.238  -1.228
  207    HG2  MET  29           1HG      MET  29   1.856   3.223  -0.417
  208    HG3  MET  29           2HG      MET  29   1.345   4.062  -1.837
  209    HE1  MET  29           3HE      MET  29   3.943   1.877  -0.248
  210    HE2  MET  29           1HE      MET  29   5.118   1.522  -1.537
  211    HE3  MET  29           2HE      MET  29   5.035   3.154  -0.826
  212    H    ASN  30           H        ASN  30   1.791   7.605   1.007
  213    HA   ASN  30           HA       ASN  30   4.022   9.383   1.110
  214    HB2  ASN  30           1HB      ASN  30   1.152   9.587   2.131
  215    HB3  ASN  30           2HB      ASN  30   2.294  10.923   2.201
  216   HD21  ASN  30          1HD2      ASN  30   0.004  11.378   0.865
  217   HD22  ASN  30          2HD2      ASN  30   0.338  11.436  -0.861
  218    H    ARG  31           H        ARG  31   2.667   7.348   3.673
  219    HA   ARG  31           HA       ARG  31   3.888   8.794   5.899
  220    HB2  ARG  31           1HB      ARG  31   2.977   5.892   5.847
  221    HB3  ARG  31           2HB      ARG  31   3.209   6.920   7.260
  222    HG2  ARG  31           1HG      ARG  31   1.335   8.379   6.550
  223    HG3  ARG  31           2HG      ARG  31   1.105   7.378   5.108
  224    HD2  ARG  31           1HD      ARG  31   0.707   5.399   6.607
  225    HD3  ARG  31           2HD      ARG  31   0.713   6.521   7.986
  226    HE   ARG  31           HE       ARG  31  -1.096   7.484   5.989
  227   HH11  ARG  31          2HH1      ARG  31  -0.958   4.896   8.348
  228   HH12  ARG  31          1HH1      ARG  31  -2.692   4.749   8.423
  229   HH21  ARG  31          2HH2      ARG  31  -3.300   7.266   6.159
  230   HH22  ARG  31          1HH2      ARG  31  -3.977   6.062   7.214
  231    H    HIS  32           H        HIS  32   5.000   6.307   3.699
  232    HA   HIS  32           HA       HIS  32   7.416   5.671   5.213
  233    HB2  HIS  32           1HB      HIS  32   6.553   5.118   2.347
  234    HB3  HIS  32           2HB      HIS  32   8.086   4.602   3.025
  235    HD1  HIS  32           1HD      HIS  32   7.837   2.922   5.286
  236    HD2  HIS  32           2HD      HIS  32   4.683   3.286   2.529
  237    HE1  HIS  32           1HE      HIS  32   6.451   0.818   5.546
  238    H    SER  33           H        SER  33   6.514   8.419   3.393
  239    HA   SER  33           HA       SER  33   9.152   8.970   2.254
  240    HB2  SER  33           1HB      SER  33   6.868   9.426   1.183
  241    HB3  SER  33           2HB      SER  33   6.764  10.828   2.258
  242    HG   SER  33           HG       SER  33   8.767  11.543   1.343
  243    H    THR  34           H        THR  34   8.318   9.189   5.375
  244    HA   THR  34           HA       THR  34   9.062  11.911   6.069
  245    HB   THR  34           HB       THR  34   9.136  10.999   8.400
  246    HG1  THR  34           1HG      THR  34   8.271   8.859   8.613
  247   HG21  THR  34          3HG2      THR  34   7.029  11.884   7.440
  248   HG22  THR  34          1HG2      THR  34   6.737  10.568   8.587
  249   HG23  THR  34          2HG2      THR  34   6.619  10.264   6.840
  250    H    GLU  35           H        GLU  35  10.883  12.524   7.374
  251    HA   GLU  35           HA       GLU  35  13.410  11.419   6.369
  252    HB2  GLU  35           1HB      GLU  35  12.820  13.836   8.112
  253    HB3  GLU  35           2HB      GLU  35  14.411  13.386   7.472
  254    HG2  GLU  35           1HG      GLU  35  13.523  13.561   5.152
  255    HG3  GLU  35           2HG      GLU  35  11.972  14.107   5.794
  256    H    LYS  36           H        LYS  36  12.443   9.421   7.719
  257    HA   LYS  36           HA       LYS  36  13.885   9.263  10.344
  258    HB2  LYS  36           1HB      LYS  36  11.120   8.182   9.661
  259    HB3  LYS  36           2HB      LYS  36  12.032   7.798  11.127
  260    HG2  LYS  36           1HG      LYS  36  12.067  10.215  11.735
  261    HG3  LYS  36           2HG      LYS  36  11.070  10.578  10.311
  262    HD2  LYS  36           1HD      LYS  36   9.293   9.076  11.169
  263    HD3  LYS  36           2HD      LYS  36  10.249   8.748  12.615
  264    HE2  LYS  36           1HE      LYS  36   9.266  11.509  11.751
  265    HE3  LYS  36           2HE      LYS  36   8.431  10.467  12.905
  266    HZ1  LYS  36           3HZ      LYS  36   9.811  12.069  14.060
  267    HZ2  LYS  36           1HZ      LYS  36  11.160  11.574  13.293
  268    HZ3  LYS  36           2HZ      LYS  36  10.399  10.576  14.342
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  -8.405 -28.246  -4.833
    2    H2   GLY   1           2H       GLY   1  -9.062 -28.826  -3.448
    3    H3   GLY   1           3H       GLY   1  -7.625 -28.041  -3.408
    4    HA2  GLY   1           1HA      GLY   1 -10.224 -26.836  -4.114
    5    HA3  GLY   1           2HA      GLY   1  -9.363 -26.602  -2.582
    6    H    SER   2           H        SER   2  -9.397 -24.313  -3.018
    7    HA   SER   2           HA       SER   2  -8.216 -23.091  -5.308
    8    HB2  SER   2           1HB      SER   2  -8.568 -21.957  -2.508
    9    HB3  SER   2           2HB      SER   2  -8.296 -21.028  -3.996
   10    HG   SER   2           HG       SER   2 -10.527 -21.143  -3.436
   11    H    SER   3           H        SER   3  -6.252 -21.965  -5.589
   12    HA   SER   3           HA       SER   3  -3.907 -23.229  -4.448
   13    HB2  SER   3           1HB      SER   3  -2.697 -21.672  -5.963
   14    HB3  SER   3           2HB      SER   3  -3.948 -22.627  -6.774
   15    HG   SER   3           HG       SER   3  -4.018 -20.400  -7.372
   16    H    GLY   4           H        GLY   4  -5.701 -20.393  -3.553
   17    HA2  GLY   4           1HA      GLY   4  -4.305 -19.948  -1.134
   18    HA3  GLY   4           2HA      GLY   4  -3.675 -18.809  -2.329
   19    H    SER   5           H        SER   5  -4.638 -17.455  -0.463
   20    HA   SER   5           HA       SER   5  -7.509 -16.932  -0.487
   21    HB2  SER   5           1HB      SER   5  -6.111 -16.541   1.501
   22    HB3  SER   5           2HB      SER   5  -5.201 -15.295   0.626
   23    HG   SER   5           HG       SER   5  -6.959 -14.514   1.986
   24    H    SER   6           H        SER   6  -8.540 -15.000  -1.210
   25    HA   SER   6           HA       SER   6  -7.612 -13.863  -3.736
   26    HB2  SER   6           1HB      SER   6  -9.663 -12.477  -3.529
   27    HB3  SER   6           2HB      SER   6  -9.970 -14.218  -3.411
   28    HG   SER   6           HG       SER   6 -11.091 -13.038  -1.791
   29    H    GLY   7           H        GLY   7  -7.356 -12.983  -0.349
   30    HA2  GLY   7           1HA      GLY   7  -6.196 -11.307   0.736
   31    HA3  GLY   7           2HA      GLY   7  -5.206 -11.247  -0.717
   32    H    LYS   8           H        LYS   8  -4.854  -9.119  -0.886
   33    HA   LYS   8           HA       LYS   8  -7.158  -7.318  -1.409
   34    HB2  LYS   8           1HB      LYS   8  -4.725  -6.751   0.310
   35    HB3  LYS   8           2HB      LYS   8  -5.788  -5.475  -0.298
   36    HG2  LYS   8           1HG      LYS   8  -7.717  -6.477   0.873
   37    HG3  LYS   8           2HG      LYS   8  -6.694  -7.802   1.453
   38    HD2  LYS   8           1HD      LYS   8  -5.250  -6.142   2.630
   39    HD3  LYS   8           2HD      LYS   8  -6.376  -4.856   2.123
   40    HE2  LYS   8           1HE      LYS   8  -8.211  -5.998   3.330
   41    HE3  LYS   8           2HE      LYS   8  -7.098  -7.293   3.800
   42    HZ1  LYS   8           3HZ      LYS   8  -7.354  -5.623   5.570
   43    HZ2  LYS   8           1HZ      LYS   8  -6.788  -4.439   4.594
   44    HZ3  LYS   8           2HZ      LYS   8  -5.807  -5.658   5.053
   45    HA   PRO   9           HA       PRO   9  -5.234  -6.494  -5.194
   46    HB2  PRO   9           1HB      PRO   9  -6.232  -4.043  -5.898
   47    HB3  PRO   9           2HB      PRO   9  -7.208  -5.543  -5.822
   48    HG2  PRO   9           1HG      PRO   9  -6.863  -3.456  -3.641
   49    HG3  PRO   9           2HG      PRO   9  -8.405  -4.095  -4.315
   50    HD2  PRO   9           1HD      PRO   9  -7.350  -5.107  -2.043
   51    HD3  PRO   9           2HD      PRO   9  -8.019  -6.218  -3.288
   52    H    PHE  10           H        PHE  10  -4.843  -3.756  -2.867
   53    HA   PHE  10           HA       PHE  10  -2.309  -2.950  -4.254
   54    HB2  PHE  10           1HB      PHE  10  -4.086  -1.251  -2.510
   55    HB3  PHE  10           2HB      PHE  10  -2.732  -0.748  -3.488
   56    HD1  PHE  10           1HD      PHE  10  -2.802  -1.145  -6.034
   57    HD2  PHE  10           2HD      PHE  10  -6.281  -1.204  -3.496
   58    HE1  PHE  10           1HE      PHE  10  -4.245  -0.888  -8.019
   59    HE2  PHE  10           2HE      PHE  10  -7.743  -0.984  -5.496
   60    HZ   PHE  10           HZ       PHE  10  -6.728  -0.806  -7.765
   61    H    LYS  11           H        LYS  11  -1.036  -4.303  -3.389
   62    HA   LYS  11           HA       LYS  11  -0.377  -4.278  -0.498
   63    HB2  LYS  11           1HB      LYS  11  -0.352  -6.407  -1.874
   64    HB3  LYS  11           2HB      LYS  11   0.940  -5.719  -2.835
   65    HG2  LYS  11           1HG      LYS  11   1.966  -7.198  -1.283
   66    HG3  LYS  11           2HG      LYS  11   2.352  -5.577  -0.711
   67    HD2  LYS  11           1HD      LYS  11   0.734  -5.737   1.053
   68    HD3  LYS  11           2HD      LYS  11  -0.021  -7.179   0.322
   69    HE2  LYS  11           1HE      LYS  11   2.174  -8.383   0.694
   70    HE3  LYS  11           2HE      LYS  11   2.727  -6.971   1.605
   71    HZ1  LYS  11           3HZ      LYS  11   0.357  -8.650   2.269
   72    HZ2  LYS  11           1HZ      LYS  11   0.806  -7.308   3.110
   73    HZ3  LYS  11           2HZ      LYS  11   1.784  -8.628   3.075
   74    H    CYS  12           H        CYS  12   0.974  -2.914   0.287
   75    HA   CYS  12           HA       CYS  12   2.423  -0.855  -0.956
   76    HB2  CYS  12           1HB      CYS  12   1.781  -0.962   1.390
   77    HB3  CYS  12           2HB      CYS  12   2.841  -2.352   1.657
   78    H    SER  13           H        SER  13   4.396  -0.604  -1.800
   79    HA   SER  13           HA       SER  13   5.894  -2.934  -2.714
   80    HB2  SER  13           1HB      SER  13   6.542   0.030  -2.948
   81    HB3  SER  13           2HB      SER  13   7.319  -1.290  -3.841
   82    HG   SER  13           HG       SER  13   5.671  -0.280  -5.075
   83    H    LEU  14           H        LEU  14   5.909  -1.357   0.213
   84    HA   LEU  14           HA       LEU  14   8.855  -1.669   0.715
   85    HB2  LEU  14           1HB      LEU  14   6.853   0.226   1.992
   86    HB3  LEU  14           2HB      LEU  14   8.584   0.229   2.235
   87    HG   LEU  14           HG       LEU  14   7.251   0.783  -0.456
   88   HD11  LEU  14          1HD1      LEU  14   7.715   3.151  -0.062
   89   HD12  LEU  14          2HD1      LEU  14   8.247   2.771   1.599
   90   HD13  LEU  14          3HD1      LEU  14   6.562   2.484   1.090
   91   HD21  LEU  14          3HD2      LEU  14   9.429   1.739  -1.069
   92   HD22  LEU  14          1HD2      LEU  14   9.572   0.027  -0.645
   93   HD23  LEU  14          2HD2      LEU  14  10.087   1.271   0.520
   94    H    CYS  15           H        CYS  15   5.631  -2.049   2.081
   95    HA   CYS  15           HA       CYS  15   6.690  -3.920   4.152
   96    HB2  CYS  15           1HB      CYS  15   5.682  -2.820   5.925
   97    HB3  CYS  15           2HB      CYS  15   6.441  -1.552   4.988
   98    H    GLU  16           H        GLU  16   4.578  -4.531   5.548
   99    HA   GLU  16           HA       GLU  16   3.170  -6.445   3.832
  100    HB2  GLU  16           1HB      GLU  16   4.272  -6.719   6.256
  101    HB3  GLU  16           2HB      GLU  16   2.796  -5.959   6.820
  102    HG2  GLU  16           1HG      GLU  16   2.491  -8.259   7.136
  103    HG3  GLU  16           2HG      GLU  16   1.525  -7.905   5.716
  104    H    TYR  17           H        TYR  17   2.480  -3.291   4.575
  105    HA   TYR  17           HA       TYR  17  -0.313  -3.375   5.173
  106    HB2  TYR  17           1HB      TYR  17   1.127  -1.443   5.395
  107    HB3  TYR  17           2HB      TYR  17   1.408  -1.377   3.680
  108    HD1  TYR  17           1HD      TYR  17  -0.370  -0.668   2.097
  109    HD2  TYR  17           2HD      TYR  17  -0.976  -0.517   6.359
  110    HE1  TYR  17           1HE      TYR  17  -2.282   0.911   1.765
  111    HE2  TYR  17           2HE      TYR  17  -2.891   1.045   6.022
  112    HH   TYR  17           HH       TYR  17  -4.191   2.171   4.511
  113    H    ALA  18           H        ALA  18  -2.122  -3.604   3.977
  114    HA   ALA  18           HA       ALA  18  -2.007  -3.138   1.134
  115    HB1  ALA  18           1HB      ALA  18  -2.993  -5.855   2.087
  116    HB2  ALA  18           2HB      ALA  18  -2.896  -5.267   0.396
  117    HB3  ALA  18           3HB      ALA  18  -1.418  -5.562   1.348
  118    H    THR  19           H        THR  19  -3.962  -2.720   0.150
  119    HA   THR  19           HA       THR  19  -6.399  -2.463   1.850
  120    HB   THR  19           HB       THR  19  -5.083  -0.408   2.129
  121    HG1  THR  19           1HG      THR  19  -7.192  -0.066   2.229
  122   HG21  THR  19          3HG2      THR  19  -5.365   0.038  -0.855
  123   HG22  THR  19          1HG2      THR  19  -3.866  -0.456  -0.036
  124   HG23  THR  19          2HG2      THR  19  -4.598   1.079   0.369
  125    H    ARG  20           H        ARG  20  -8.290  -1.772   0.626
  126    HA   ARG  20           HA       ARG  20  -8.507  -3.226  -1.946
  127    HB2  ARG  20           1HB      ARG  20 -10.518  -2.243   0.088
  128    HB3  ARG  20           2HB      ARG  20 -11.019  -2.854  -1.482
  129    HG2  ARG  20           1HG      ARG  20  -9.251  -4.516   0.353
  130    HG3  ARG  20           2HG      ARG  20 -11.007  -4.495   0.509
  131    HD2  ARG  20           1HD      ARG  20 -11.296  -5.321  -1.777
  132    HD3  ARG  20           2HD      ARG  20  -9.578  -5.206  -2.087
  133    HE   ARG  20           HE       ARG  20  -9.214  -7.215  -0.987
  134   HH11  ARG  20          2HH1      ARG  20 -12.496  -6.268  -0.192
  135   HH12  ARG  20          1HH1      ARG  20 -12.842  -7.819   0.523
  136   HH21  ARG  20          2HH2      ARG  20  -9.706  -9.122  -0.095
  137   HH22  ARG  20          1HH2      ARG  20 -11.297  -9.396   0.574
  138    H    SER  21           H        SER  21  -7.981  -0.018  -1.106
  139    HA   SER  21           HA       SER  21  -8.969   0.890  -3.791
  140    HB2  SER  21           1HB      SER  21  -9.109   2.464  -1.196
  141    HB3  SER  21           2HB      SER  21  -9.537   3.060  -2.808
  142    HG   SER  21           HG       SER  21 -11.381   2.338  -1.639
  143    H    LYS  22           H        LYS  22  -7.462   1.847  -5.028
  144    HA   LYS  22           HA       LYS  22  -4.745   1.953  -4.254
  145    HB2  LYS  22           1HB      LYS  22  -4.314   2.955  -6.404
  146    HB3  LYS  22           2HB      LYS  22  -5.507   1.681  -6.551
  147    HG2  LYS  22           1HG      LYS  22  -7.329   3.391  -6.678
  148    HG3  LYS  22           2HG      LYS  22  -6.118   4.669  -6.514
  149    HD2  LYS  22           1HD      LYS  22  -6.720   4.462  -8.830
  150    HD3  LYS  22           2HD      LYS  22  -5.044   3.935  -8.627
  151    HE2  LYS  22           1HE      LYS  22  -5.780   1.562  -8.673
  152    HE3  LYS  22           2HE      LYS  22  -7.467   2.079  -8.811
  153    HZ1  LYS  22           3HZ      LYS  22  -6.528   1.524 -10.982
  154    HZ2  LYS  22           1HZ      LYS  22  -5.346   2.637 -10.821
  155    HZ3  LYS  22           2HZ      LYS  22  -6.905   3.110 -10.948
  156    H    SER  23           H        SER  23  -7.159   4.460  -3.964
  157    HA   SER  23           HA       SER  23  -5.468   6.719  -3.480
  158    HB2  SER  23           1HB      SER  23  -7.549   7.601  -2.347
  159    HB3  SER  23           2HB      SER  23  -7.775   7.039  -4.014
  160    HG   SER  23           HG       SER  23  -9.413   6.265  -2.575
  161    H    ASN  24           H        ASN  24  -6.665   4.142  -1.316
  162    HA   ASN  24           HA       ASN  24  -5.697   5.355   1.143
  163    HB2  ASN  24           1HB      ASN  24  -6.388   2.486   0.402
  164    HB3  ASN  24           2HB      ASN  24  -5.957   3.003   2.023
  165   HD21  ASN  24          1HD2      ASN  24  -8.303   1.689   1.415
  166   HD22  ASN  24          2HD2      ASN  24  -9.646   2.792   1.736
  167    H    LEU  25           H        LEU  25  -4.361   2.785  -1.042
  168    HA   LEU  25           HA       LEU  25  -1.946   2.559   0.403
  169    HB2  LEU  25           1HB      LEU  25  -2.584   0.849  -1.200
  170    HB3  LEU  25           2HB      LEU  25  -2.443   1.978  -2.546
  171    HG   LEU  25           HG       LEU  25  -0.063   2.163  -2.148
  172   HD11  LEU  25          1HD1      LEU  25  -0.366   0.094   0.059
  173   HD12  LEU  25          2HD1      LEU  25   0.010   1.814   0.328
  174   HD13  LEU  25          3HD1      LEU  25   1.156   0.803  -0.519
  175   HD21  LEU  25          3HD2      LEU  25   0.705  -0.049  -2.772
  176   HD22  LEU  25          1HD2      LEU  25  -0.790   0.367  -3.626
  177   HD23  LEU  25          2HD2      LEU  25  -0.830  -0.750  -2.233
  178    H    LYS  26           H        LYS  26  -2.673   4.609  -2.398
  179    HA   LYS  26           HA       LYS  26  -0.176   5.888  -2.727
  180    HB2  LYS  26           1HB      LYS  26  -2.102   6.151  -4.212
  181    HB3  LYS  26           2HB      LYS  26  -2.982   7.061  -2.992
  182    HG2  LYS  26           1HG      LYS  26  -0.274   8.038  -3.944
  183    HG3  LYS  26           2HG      LYS  26  -1.654   8.221  -5.005
  184    HD2  LYS  26           1HD      LYS  26  -1.446   9.407  -2.203
  185    HD3  LYS  26           2HD      LYS  26  -1.169  10.269  -3.701
  186    HE2  LYS  26           1HE      LYS  26  -3.824   8.981  -2.910
  187    HE3  LYS  26           2HE      LYS  26  -3.405  10.671  -2.650
  188    HZ1  LYS  26           3HZ      LYS  26  -3.581   9.379  -5.322
  189    HZ2  LYS  26           1HZ      LYS  26  -3.160  10.936  -5.058
  190    HZ3  LYS  26           2HZ      LYS  26  -4.662  10.425  -4.693
  191    H    ALA  27           H        ALA  27  -2.620   6.543  -0.243
  192    HA   ALA  27           HA       ALA  27  -1.209   8.858   0.851
  193    HB1  ALA  27           1HB      ALA  27  -3.414   7.112   2.040
  194    HB2  ALA  27           2HB      ALA  27  -2.886   8.696   2.641
  195    HB3  ALA  27           3HB      ALA  27  -3.666   8.568   1.050
  196    H    HIS  28           H        HIS  28  -1.427   5.365   1.664
  197    HA   HIS  28           HA       HIS  28   0.213   5.428   4.014
  198    HB2  HIS  28           1HB      HIS  28  -1.268   3.627   3.625
  199    HB3  HIS  28           2HB      HIS  28  -0.582   3.288   2.039
  200    HD1  HIS  28           1HD      HIS  28   0.242   2.797   5.750
  201    HD2  HIS  28           2HD      HIS  28   1.713   1.969   1.900
  202    HE1  HIS  28           1HE      HIS  28   2.185   1.208   6.087
  203    H    MET  29           H        MET  29   1.023   5.064   0.559
  204    HA   MET  29           HA       MET  29   3.838   4.592   0.877
  205    HB2  MET  29           1HB      MET  29   2.325   5.857  -1.428
  206    HB3  MET  29           2HB      MET  29   3.960   5.211  -1.508
  207    HG2  MET  29           1HG      MET  29   1.988   3.215  -0.506
  208    HG3  MET  29           2HG      MET  29   1.582   3.895  -2.036
  209    HE1  MET  29           3HE      MET  29   4.131   1.991  -0.067
  210    HE2  MET  29           1HE      MET  29   5.323   1.435  -1.271
  211    HE3  MET  29           2HE      MET  29   5.254   3.156  -0.807
  212    H    ASN  30           H        ASN  30   1.951   7.544   1.118
  213    HA   ASN  30           HA       ASN  30   4.351   9.280   1.108
  214    HB2  ASN  30           1HB      ASN  30   1.370   9.781   1.384
  215    HB3  ASN  30           2HB      ASN  30   2.554  10.995   1.848
  216   HD21  ASN  30          1HD2      ASN  30   1.355   9.098  -0.960
  217   HD22  ASN  30          2HD2      ASN  30   2.025  10.229  -2.124
  218    H    ARG  31           H        ARG  31   2.157   7.778   3.526
  219    HA   ARG  31           HA       ARG  31   3.310   8.977   5.870
  220    HB2  ARG  31           1HB      ARG  31   2.176   6.166   5.546
  221    HB3  ARG  31           2HB      ARG  31   2.522   6.957   7.075
  222    HG2  ARG  31           1HG      ARG  31   0.860   8.711   6.628
  223    HG3  ARG  31           2HG      ARG  31   0.474   7.967   5.069
  224    HD2  ARG  31           1HD      ARG  31  -0.162   5.857   6.271
  225    HD3  ARG  31           2HD      ARG  31   0.123   6.695   7.810
  226    HE   ARG  31           HE       ARG  31  -1.673   8.264   6.251
  227   HH11  ARG  31          2HH1      ARG  31  -1.741   5.233   8.010
  228   HH12  ARG  31          1HH1      ARG  31  -3.461   5.318   8.267
  229   HH21  ARG  31          2HH2      ARG  31  -3.861   8.312   6.625
  230   HH22  ARG  31          1HH2      ARG  31  -4.623   7.020   7.504
  231    H    HIS  32           H        HIS  32   4.568   6.419   3.821
  232    HA   HIS  32           HA       HIS  32   6.635   5.517   5.570
  233    HB2  HIS  32           1HB      HIS  32   6.112   5.385   2.606
  234    HB3  HIS  32           2HB      HIS  32   7.731   5.027   3.174
  235    HD1  HIS  32           1HD      HIS  32   7.883   3.039   5.138
  236    HD2  HIS  32           2HD      HIS  32   4.493   3.296   2.660
  237    HE1  HIS  32           1HE      HIS  32   6.790   0.754   5.235
  238    H    SER  33           H        SER  33   6.391   8.585   3.939
  239    HA   SER  33           HA       SER  33   9.289   9.138   4.052
  240    HB2  SER  33           1HB      SER  33   7.833  10.096   2.268
  241    HB3  SER  33           2HB      SER  33   6.989  11.043   3.512
  242    HG   SER  33           HG       SER  33   8.728  12.200   2.505
  243    H    THR  34           H        THR  34  10.306   9.882   5.807
  244    HA   THR  34           HA       THR  34   8.831  11.164   8.059
  245    HB   THR  34           HB       THR  34  10.033   9.705   9.658
  246    HG1  THR  34           1HG      THR  34  10.958   7.800   8.886
  247   HG21  THR  34          3HG2      THR  34   7.698   9.150   8.970
  248   HG22  THR  34          1HG2      THR  34   8.648   7.739   9.458
  249   HG23  THR  34          2HG2      THR  34   8.349   8.050   7.735
  250    H    GLU  35           H        GLU  35  10.240  12.087   9.706
  251    HA   GLU  35           HA       GLU  35  12.975  12.858   8.800
  252    HB2  GLU  35           1HB      GLU  35  10.836  14.684   9.962
  253    HB3  GLU  35           2HB      GLU  35  12.529  15.127   9.813
  254    HG2  GLU  35           1HG      GLU  35  10.652  14.461   7.503
  255    HG3  GLU  35           2HG      GLU  35  11.132  16.071   8.016
  256    H    LYS  36           H        LYS  36  14.449  13.336  10.462
  257    HA   LYS  36           HA       LYS  36  13.783  12.766  13.265
  258    HB2  LYS  36           1HB      LYS  36  15.438  10.996  13.515
  259    HB3  LYS  36           2HB      LYS  36  14.164  10.524  12.395
  260    HG2  LYS  36           1HG      LYS  36  15.684  11.021  10.470
  261    HG3  LYS  36           2HG      LYS  36  16.967  11.457  11.619
  262    HD2  LYS  36           1HD      LYS  36  16.899   9.166  12.564
  263    HD3  LYS  36           2HD      LYS  36  15.610   8.732  11.418
  264    HE2  LYS  36           1HE      LYS  36  17.130   9.248   9.519
  265    HE3  LYS  36           2HE      LYS  36  18.412   9.676  10.660
  266    HZ1  LYS  36           3HZ      LYS  36  17.179   6.982  10.420
  267    HZ2  LYS  36           1HZ      LYS  36  18.365   7.377  11.474
  268    HZ3  LYS  36           2HZ      LYS  36  18.658   7.394   9.870
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  -1.349 -17.190   9.097
    2    H2   GLY   1           2H       GLY   1  -2.017 -18.656   8.797
    3    H3   GLY   1           3H       GLY   1  -2.523 -17.777  10.081
    4    HA2  GLY   1           1HA      GLY   1  -3.432 -16.075   8.645
    5    HA3  GLY   1           2HA      GLY   1  -2.878 -17.021   7.251
    6    H    SER   2           H        SER   2  -5.491 -16.336   7.359
    7    HA   SER   2           HA       SER   2  -6.925 -18.905   7.867
    8    HB2  SER   2           1HB      SER   2  -7.934 -16.155   8.697
    9    HB3  SER   2           2HB      SER   2  -8.830 -17.677   8.822
   10    HG   SER   2           HG       SER   2  -7.248 -18.424  10.299
   11    H    SER   3           H        SER   3  -8.647 -19.340   6.529
   12    HA   SER   3           HA       SER   3  -8.444 -18.302   3.886
   13    HB2  SER   3           1HB      SER   3 -10.559 -20.154   5.036
   14    HB3  SER   3           2HB      SER   3 -10.123 -19.968   3.326
   15    HG   SER   3           HG       SER   3  -9.096 -21.785   4.286
   16    H    GLY   4           H        GLY   4 -10.234 -16.927   6.393
   17    HA2  GLY   4           1HA      GLY   4 -12.667 -16.191   5.049
   18    HA3  GLY   4           2HA      GLY   4 -12.015 -15.483   6.526
   19    H    SER   5           H        SER   5  -9.484 -14.887   4.641
   20    HA   SER   5           HA       SER   5 -10.255 -12.147   4.011
   21    HB2  SER   5           1HB      SER   5  -7.996 -12.695   4.784
   22    HB3  SER   5           2HB      SER   5  -7.731 -13.691   3.342
   23    HG   SER   5           HG       SER   5  -6.858 -11.641   3.056
   24    H    SER   6           H        SER   6 -10.886 -11.286   2.132
   25    HA   SER   6           HA       SER   6 -11.232 -12.896  -0.304
   26    HB2  SER   6           1HB      SER   6 -11.769  -9.942   0.158
   27    HB3  SER   6           2HB      SER   6 -12.347 -10.927  -1.197
   28    HG   SER   6           HG       SER   6 -13.580 -12.152   0.283
   29    H    GLY   7           H        GLY   7  -8.474 -11.850   0.872
   30    HA2  GLY   7           1HA      GLY   7  -6.412 -11.288  -0.025
   31    HA3  GLY   7           2HA      GLY   7  -7.113 -11.258  -1.645
   32    H    LYS   8           H        LYS   8  -5.396  -9.360  -1.381
   33    HA   LYS   8           HA       LYS   8  -7.059  -6.927  -1.294
   34    HB2  LYS   8           1HB      LYS   8  -4.376  -7.111   0.122
   35    HB3  LYS   8           2HB      LYS   8  -5.171  -5.603  -0.328
   36    HG2  LYS   8           1HG      LYS   8  -5.950  -5.712   1.785
   37    HG3  LYS   8           2HG      LYS   8  -7.233  -6.610   0.998
   38    HD2  LYS   8           1HD      LYS   8  -5.779  -8.749   1.646
   39    HD3  LYS   8           2HD      LYS   8  -4.893  -7.620   2.661
   40    HE2  LYS   8           1HE      LYS   8  -6.484  -8.463   4.146
   41    HE3  LYS   8           2HE      LYS   8  -7.198  -6.934   3.626
   42    HZ1  LYS   8           3HZ      LYS   8  -7.954  -9.680   2.787
   43    HZ2  LYS   8           1HZ      LYS   8  -8.418  -8.384   1.900
   44    HZ3  LYS   8           2HZ      LYS   8  -8.904  -8.544   3.463
   45    HA   PRO   9           HA       PRO   9  -5.070  -6.522  -5.218
   46    HB2  PRO   9           1HB      PRO   9  -6.055  -4.124  -6.067
   47    HB3  PRO   9           2HB      PRO   9  -7.057  -5.603  -5.912
   48    HG2  PRO   9           1HG      PRO   9  -6.692  -3.401  -3.843
   49    HG3  PRO   9           2HG      PRO   9  -8.242  -4.048  -4.496
   50    HD2  PRO   9           1HD      PRO   9  -7.128  -4.903  -2.179
   51    HD3  PRO   9           2HD      PRO   9  -7.941  -6.068  -3.284
   52    H    PHE  10           H        PHE  10  -4.816  -3.714  -2.965
   53    HA   PHE  10           HA       PHE  10  -2.249  -2.881  -4.262
   54    HB2  PHE  10           1HB      PHE  10  -4.138  -1.212  -2.608
   55    HB3  PHE  10           2HB      PHE  10  -2.739  -0.672  -3.501
   56    HD1  PHE  10           1HD      PHE  10  -2.646  -1.203  -6.056
   57    HD2  PHE  10           2HD      PHE  10  -6.262  -1.110  -3.721
   58    HE1  PHE  10           1HE      PHE  10  -3.971  -1.059  -8.129
   59    HE2  PHE  10           2HE      PHE  10  -7.607  -0.975  -5.806
   60    HZ   PHE  10           HZ       PHE  10  -6.468  -0.950  -8.022
   61    H    LYS  11           H        LYS  11  -0.980  -4.185  -3.350
   62    HA   LYS  11           HA       LYS  11  -0.466  -4.170  -0.422
   63    HB2  LYS  11           1HB      LYS  11  -0.679  -6.289  -1.804
   64    HB3  LYS  11           2HB      LYS  11   0.799  -5.839  -2.635
   65    HG2  LYS  11           1HG      LYS  11   0.500  -6.487   0.335
   66    HG3  LYS  11           2HG      LYS  11   1.147  -7.541  -0.923
   67    HD2  LYS  11           1HD      LYS  11   2.905  -5.675  -1.327
   68    HD3  LYS  11           2HD      LYS  11   2.371  -5.047   0.255
   69    HE2  LYS  11           1HE      LYS  11   2.923  -7.208   1.304
   70    HE3  LYS  11           2HE      LYS  11   3.452  -7.842  -0.265
   71    HZ1  LYS  11           3HZ      LYS  11   5.131  -6.058  -0.321
   72    HZ2  LYS  11           1HZ      LYS  11   5.341  -6.983   1.018
   73    HZ3  LYS  11           2HZ      LYS  11   4.635  -5.500   1.129
   74    H    CYS  12           H        CYS  12   0.906  -2.816   0.344
   75    HA   CYS  12           HA       CYS  12   2.394  -0.817  -0.896
   76    HB2  CYS  12           1HB      CYS  12   1.713  -0.918   1.449
   77    HB3  CYS  12           2HB      CYS  12   2.811  -2.275   1.737
   78    H    SER  13           H        SER  13   4.281  -0.655  -1.920
   79    HA   SER  13           HA       SER  13   5.843  -2.965  -2.648
   80    HB2  SER  13           1HB      SER  13   6.521  -0.016  -2.968
   81    HB3  SER  13           2HB      SER  13   7.254  -1.373  -3.843
   82    HG   SER  13           HG       SER  13   5.612  -0.361  -5.077
   83    H    LEU  14           H        LEU  14   5.849  -1.327   0.240
   84    HA   LEU  14           HA       LEU  14   8.798  -1.583   0.740
   85    HB2  LEU  14           1HB      LEU  14   6.791   0.330   1.980
   86    HB3  LEU  14           2HB      LEU  14   8.527   0.371   2.167
   87    HG   LEU  14           HG       LEU  14   7.106   0.809  -0.510
   88   HD11  LEU  14          1HD1      LEU  14   6.488   2.572   0.985
   89   HD12  LEU  14          2HD1      LEU  14   7.606   3.181  -0.235
   90   HD13  LEU  14          3HD1      LEU  14   8.198   2.859   1.417
   91   HD21  LEU  14          3HD2      LEU  14   9.979   1.332   0.352
   92   HD22  LEU  14          1HD2      LEU  14   9.271   1.730  -1.232
   93   HD23  LEU  14          2HD2      LEU  14   9.436   0.039  -0.742
   94    H    CYS  15           H        CYS  15   5.582  -1.927   2.173
   95    HA   CYS  15           HA       CYS  15   6.696  -3.750   4.259
   96    HB2  CYS  15           1HB      CYS  15   5.658  -2.649   6.007
   97    HB3  CYS  15           2HB      CYS  15   6.353  -1.372   5.042
   98    H    GLU  16           H        GLU  16   4.560  -4.477   5.626
   99    HA   GLU  16           HA       GLU  16   3.186  -6.270   3.724
  100    HB2  GLU  16           1HB      GLU  16   4.441  -6.947   5.904
  101    HB3  GLU  16           2HB      GLU  16   2.995  -6.387   6.748
  102    HG2  GLU  16           1HG      GLU  16   1.643  -8.079   5.529
  103    HG3  GLU  16           2HG      GLU  16   3.047  -8.517   4.556
  104    H    TYR  17           H        TYR  17   2.471  -3.268   4.546
  105    HA   TYR  17           HA       TYR  17  -0.344  -3.418   5.199
  106    HB2  TYR  17           1HB      TYR  17   1.046  -1.428   5.455
  107    HB3  TYR  17           2HB      TYR  17   1.317  -1.343   3.734
  108    HD1  TYR  17           1HD      TYR  17  -0.497  -0.581   2.204
  109    HD2  TYR  17           2HD      TYR  17  -1.075  -0.711   6.471
  110    HE1  TYR  17           1HE      TYR  17  -2.441   0.990   1.976
  111    HE2  TYR  17           2HE      TYR  17  -3.025   0.833   6.243
  112    HH   TYR  17           HH       TYR  17  -4.057   2.167   3.101
  113    H    ALA  18           H        ALA  18  -2.143  -3.589   3.962
  114    HA   ALA  18           HA       ALA  18  -1.984  -3.114   1.127
  115    HB1  ALA  18           1HB      ALA  18  -3.012  -5.833   2.023
  116    HB2  ALA  18           2HB      ALA  18  -2.862  -5.220   0.349
  117    HB3  ALA  18           3HB      ALA  18  -1.407  -5.557   1.324
  118    H    THR  19           H        THR  19  -3.980  -2.767   0.102
  119    HA   THR  19           HA       THR  19  -6.434  -2.590   1.775
  120    HB   THR  19           HB       THR  19  -5.242  -0.459   2.112
  121    HG1  THR  19           1HG      THR  19  -7.504  -0.426   1.963
  122   HG21  THR  19          3HG2      THR  19  -4.873   1.094   0.335
  123   HG22  THR  19          1HG2      THR  19  -5.354  -0.096  -0.890
  124   HG23  THR  19          2HG2      THR  19  -3.895  -0.350   0.100
  125    H    ARG  20           H        ARG  20  -8.350  -2.053   0.559
  126    HA   ARG  20           HA       ARG  20  -8.484  -3.324  -2.098
  127    HB2  ARG  20           1HB      ARG  20 -10.665  -2.174  -0.338
  128    HB3  ARG  20           2HB      ARG  20 -10.919  -3.086  -1.817
  129    HG2  ARG  20           1HG      ARG  20  -9.671  -4.156   0.750
  130    HG3  ARG  20           2HG      ARG  20 -11.312  -4.444   0.202
  131    HD2  ARG  20           1HD      ARG  20  -8.811  -5.414  -1.250
  132    HD3  ARG  20           2HD      ARG  20  -9.789  -6.366  -0.145
  133    HE   ARG  20           HE       ARG  20 -11.290  -5.203  -2.381
  134   HH11  ARG  20          2HH1      ARG  20  -9.541  -8.076  -1.318
  135   HH12  ARG  20          1HH1      ARG  20 -10.274  -9.074  -2.532
  136   HH21  ARG  20          2HH2      ARG  20 -12.187  -6.554  -3.904
  137   HH22  ARG  20          1HH2      ARG  20 -11.727  -8.230  -3.955
  138    H    SER  21           H        SER  21  -7.927  -0.146  -1.076
  139    HA   SER  21           HA       SER  21  -8.943   0.947  -3.688
  140    HB2  SER  21           1HB      SER  21  -8.926   2.278  -0.962
  141    HB3  SER  21           2HB      SER  21  -9.385   3.054  -2.492
  142    HG   SER  21           HG       SER  21 -11.208   2.252  -1.336
  143    H    LYS  22           H        LYS  22  -7.447   1.780  -4.980
  144    HA   LYS  22           HA       LYS  22  -4.694   1.890  -4.391
  145    HB2  LYS  22           1HB      LYS  22  -5.782   1.735  -6.648
  146    HB3  LYS  22           2HB      LYS  22  -6.179   3.452  -6.551
  147    HG2  LYS  22           1HG      LYS  22  -3.722   3.964  -6.337
  148    HG3  LYS  22           2HG      LYS  22  -3.370   2.240  -6.516
  149    HD2  LYS  22           1HD      LYS  22  -4.781   3.992  -8.582
  150    HD3  LYS  22           2HD      LYS  22  -3.063   3.567  -8.603
  151    HE2  LYS  22           1HE      LYS  22  -3.649   1.161  -8.768
  152    HE3  LYS  22           2HE      LYS  22  -5.369   1.575  -8.776
  153    HZ1  LYS  22           3HZ      LYS  22  -4.528   1.264 -11.032
  154    HZ2  LYS  22           1HZ      LYS  22  -3.403   2.429 -10.836
  155    HZ3  LYS  22           2HZ      LYS  22  -4.991   2.815 -10.843
  156    H    SER  23           H        SER  23  -7.036   4.582  -4.360
  157    HA   SER  23           HA       SER  23  -5.221   6.665  -3.712
  158    HB2  SER  23           1HB      SER  23  -8.170   6.400  -3.007
  159    HB3  SER  23           2HB      SER  23  -7.223   7.902  -2.981
  160    HG   SER  23           HG       SER  23  -8.394   7.613  -4.958
  161    H    ASN  24           H        ASN  24  -6.522   4.150  -1.626
  162    HA   ASN  24           HA       ASN  24  -5.800   5.575   0.849
  163    HB2  ASN  24           1HB      ASN  24  -7.798   4.055   0.673
  164    HB3  ASN  24           2HB      ASN  24  -6.693   2.697   0.430
  165   HD21  ASN  24          1HD2      ASN  24  -6.922   1.555   2.289
  166   HD22  ASN  24          2HD2      ASN  24  -6.648   2.228   3.897
  167    H    LEU  25           H        LEU  25  -4.505   2.762  -1.076
  168    HA   LEU  25           HA       LEU  25  -2.157   2.502   0.478
  169    HB2  LEU  25           1HB      LEU  25  -2.664   0.824  -1.199
  170    HB3  LEU  25           2HB      LEU  25  -2.526   1.997  -2.506
  171    HG   LEU  25           HG       LEU  25  -0.163   2.230  -2.055
  172   HD11  LEU  25          1HD1      LEU  25   1.040   0.854  -0.402
  173   HD12  LEU  25          2HD1      LEU  25  -0.505   0.160   0.142
  174   HD13  LEU  25          3HD1      LEU  25  -0.128   1.879   0.410
  175   HD21  LEU  25          3HD2      LEU  25  -0.798   0.428  -3.571
  176   HD22  LEU  25          1HD2      LEU  25  -0.839  -0.703  -2.188
  177   HD23  LEU  25          2HD2      LEU  25   0.687   0.052  -2.682
  178    H    LYS  26           H        LYS  26  -2.709   4.583  -2.322
  179    HA   LYS  26           HA       LYS  26  -0.254   5.946  -2.579
  180    HB2  LYS  26           1HB      LYS  26  -2.259   6.272  -4.002
  181    HB3  LYS  26           2HB      LYS  26  -3.092   7.037  -2.656
  182    HG2  LYS  26           1HG      LYS  26  -1.199   8.842  -2.734
  183    HG3  LYS  26           2HG      LYS  26  -0.771   8.102  -4.282
  184    HD2  LYS  26           1HD      LYS  26  -2.236   9.871  -4.831
  185    HD3  LYS  26           2HD      LYS  26  -3.249   8.412  -4.922
  186    HE2  LYS  26           1HE      LYS  26  -4.138   8.898  -2.648
  187    HE3  LYS  26           2HE      LYS  26  -3.096  10.322  -2.542
  188    HZ1  LYS  26           3HZ      LYS  26  -5.262   9.958  -4.550
  189    HZ2  LYS  26           1HZ      LYS  26  -4.300  11.272  -4.431
  190    HZ3  LYS  26           2HZ      LYS  26  -5.347  10.920  -3.233
  191    H    ALA  27           H        ALA  27  -2.819   6.603  -0.255
  192    HA   ALA  27           HA       ALA  27  -1.517   8.849   1.049
  193    HB1  ALA  27           1HB      ALA  27  -3.338   8.655   2.664
  194    HB2  ALA  27           2HB      ALA  27  -3.971   8.516   1.010
  195    HB3  ALA  27           3HB      ALA  27  -3.785   7.061   2.019
  196    H    HIS  28           H        HIS  28  -1.584   5.341   1.691
  197    HA   HIS  28           HA       HIS  28  -0.084   5.443   4.171
  198    HB2  HIS  28           1HB      HIS  28  -1.471   3.582   3.789
  199    HB3  HIS  28           2HB      HIS  28  -0.800   3.285   2.190
  200    HD1  HIS  28           1HD      HIS  28   0.040   2.701   5.870
  201    HD2  HIS  28           2HD      HIS  28   1.577   2.059   2.013
  202    HE1  HIS  28           1HE      HIS  28   2.047   1.177   6.169
  203    H    MET  29           H        MET  29   0.839   5.039   0.725
  204    HA   MET  29           HA       MET  29   3.598   4.486   1.124
  205    HB2  MET  29           1HB      MET  29   2.300   5.960  -1.193
  206    HB3  MET  29           2HB      MET  29   3.892   5.214  -1.201
  207    HG2  MET  29           1HG      MET  29   1.888   3.221  -0.404
  208    HG3  MET  29           2HG      MET  29   1.377   4.076  -1.816
  209    HE1  MET  29           3HE      MET  29   5.147   1.516  -1.601
  210    HE2  MET  29           1HE      MET  29   5.059   3.124  -0.839
  211    HE3  MET  29           2HE      MET  29   3.980   1.824  -0.290
  212    H    ASN  30           H        ASN  30   1.873   7.594   0.977
  213    HA   ASN  30           HA       ASN  30   4.178   9.298   1.096
  214    HB2  ASN  30           1HB      ASN  30   1.222   9.624   1.695
  215    HB3  ASN  30           2HB      ASN  30   2.360  10.880   2.170
  216   HD21  ASN  30          1HD2      ASN  30   1.135   9.105  -0.718
  217   HD22  ASN  30          2HD2      ASN  30   1.657  10.372  -1.821
  218    H    ARG  31           H        ARG  31   2.700   7.364   3.642
  219    HA   ARG  31           HA       ARG  31   3.940   8.805   5.872
  220    HB2  ARG  31           1HB      ARG  31   3.024   5.910   5.842
  221    HB3  ARG  31           2HB      ARG  31   3.246   6.953   7.240
  222    HG2  ARG  31           1HG      ARG  31   1.349   8.378   6.536
  223    HG3  ARG  31           2HG      ARG  31   1.123   7.369   5.098
  224    HD2  ARG  31           1HD      ARG  31   0.776   5.388   6.606
  225    HD3  ARG  31           2HD      ARG  31   0.770   6.511   7.985
  226    HE   ARG  31           HE       ARG  31  -1.080   7.489   6.076
  227   HH11  ARG  31          2HH1      ARG  31  -0.857   4.732   8.225
  228   HH12  ARG  31          1HH1      ARG  31  -2.581   4.484   8.234
  229   HH21  ARG  31          2HH2      ARG  31  -3.275   7.139   6.164
  230   HH22  ARG  31          1HH2      ARG  31  -3.907   5.820   7.100
  231    H    HIS  32           H        HIS  32   5.005   6.351   3.616
  232    HA   HIS  32           HA       HIS  32   7.468   5.776   5.122
  233    HB2  HIS  32           1HB      HIS  32   6.610   5.052   2.294
  234    HB3  HIS  32           2HB      HIS  32   8.126   4.587   3.040
  235    HD1  HIS  32           1HD      HIS  32   7.846   2.955   5.319
  236    HD2  HIS  32           2HD      HIS  32   4.699   3.281   2.552
  237    HE1  HIS  32           1HE      HIS  32   6.438   0.871   5.630
  238    H    SER  33           H        SER  33   6.385   7.968   2.532
  239    HA   SER  33           HA       SER  33   8.963   8.909   1.721
  240    HB2  SER  33           1HB      SER  33   6.310  10.392   1.618
  241    HB3  SER  33           2HB      SER  33   7.750  10.737   0.660
  242    HG   SER  33           HG       SER  33   7.517   8.707  -0.348
  243    H    THR  34           H        THR  34   6.791  10.014   4.352
  244    HA   THR  34           HA       THR  34   8.491  12.311   5.007
  245    HB   THR  34           HB       THR  34   7.003  12.545   6.983
  246    HG1  THR  34           1HG      THR  34   5.133  11.281   7.019
  247   HG21  THR  34          3HG2      THR  34   5.531  12.291   4.325
  248   HG22  THR  34          1HG2      THR  34   6.491  13.690   4.848
  249   HG23  THR  34          2HG2      THR  34   5.023  13.246   5.733
  250    H    GLU  35           H        GLU  35   9.536  12.641   7.041
  251    HA   GLU  35           HA       GLU  35  10.503  10.208   8.469
  252    HB2  GLU  35           1HB      GLU  35  12.261  12.398   7.282
  253    HB3  GLU  35           2HB      GLU  35  12.804  11.147   8.406
  254    HG2  GLU  35           1HG      GLU  35  12.129   9.393   6.757
  255    HG3  GLU  35           2HG      GLU  35  11.717  10.665   5.602
  256    H    LYS  36           H        LYS  36  11.463  10.636  10.527
  257    HA   LYS  36           HA       LYS  36  10.893  13.252  11.829
  258    HB2  LYS  36           1HB      LYS  36  10.021  10.523  12.875
  259    HB3  LYS  36           2HB      LYS  36  10.049  12.012  13.826
  260    HG2  LYS  36           1HG      LYS  36   8.441  13.060  12.231
  261    HG3  LYS  36           2HG      LYS  36   8.357  11.526  11.339
  262    HD2  LYS  36           1HD      LYS  36   7.498  10.382  13.373
  263    HD3  LYS  36           2HD      LYS  36   7.643  11.891  14.280
  264    HE2  LYS  36           1HE      LYS  36   5.345  11.653  13.701
  265    HE3  LYS  36           2HE      LYS  36   6.007  12.973  12.733
  266    HZ1  LYS  36           3HZ      LYS  36   6.149  11.425  10.849
  267    HZ2  LYS  36           1HZ      LYS  36   4.618  11.469  11.411
  268    HZ3  LYS  36           2HZ      LYS  36   5.571  10.193  11.760
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1 -10.296 -16.971  11.544
    2    H2   GLY   1           2H       GLY   1 -10.198 -16.913   9.909
    3    H3   GLY   1           3H       GLY   1  -9.417 -15.796  10.815
    4    HA2  GLY   1           1HA      GLY   1  -7.947 -17.460  11.731
    5    HA3  GLY   1           2HA      GLY   1  -8.805 -18.682  10.776
    6    H    SER   2           H        SER   2  -5.956 -17.950  10.708
    7    HA   SER   2           HA       SER   2  -5.242 -16.222   8.631
    8    HB2  SER   2           1HB      SER   2  -3.734 -18.693   9.561
    9    HB3  SER   2           2HB      SER   2  -3.050 -17.270   8.751
   10    HG   SER   2           HG       SER   2  -2.786 -17.179  11.035
   11    H    SER   3           H        SER   3  -6.375 -19.521   8.285
   12    HA   SER   3           HA       SER   3  -5.414 -19.875   5.554
   13    HB2  SER   3           1HB      SER   3  -7.448 -21.497   7.120
   14    HB3  SER   3           2HB      SER   3  -6.619 -21.985   5.629
   15    HG   SER   3           HG       SER   3  -5.609 -22.854   7.498
   16    H    GLY   4           H        GLY   4  -7.784 -17.837   6.598
   17    HA2  GLY   4           1HA      GLY   4 -10.052 -18.407   4.982
   18    HA3  GLY   4           2HA      GLY   4  -9.627 -16.839   5.659
   19    H    SER   5           H        SER   5 -10.924 -17.089   3.242
   20    HA   SER   5           HA       SER   5  -9.089 -17.051   0.989
   21    HB2  SER   5           1HB      SER   5 -11.177 -16.820  -0.328
   22    HB3  SER   5           2HB      SER   5 -11.199 -18.181   0.802
   23    HG   SER   5           HG       SER   5 -13.152 -16.954   0.865
   24    H    SER   6           H        SER   6  -9.703 -14.589   3.099
   25    HA   SER   6           HA       SER   6 -10.285 -12.354   1.424
   26    HB2  SER   6           1HB      SER   6 -10.534 -12.317   3.853
   27    HB3  SER   6           2HB      SER   6  -8.777 -12.447   4.059
   28    HG   SER   6           HG       SER   6  -9.913 -10.263   4.063
   29    H    GLY   7           H        GLY   7  -9.041 -10.817   0.434
   30    HA2  GLY   7           1HA      GLY   7  -6.144 -10.756   0.491
   31    HA3  GLY   7           2HA      GLY   7  -6.767 -11.417  -1.027
   32    H    LYS   8           H        LYS   8  -5.252  -9.014  -0.678
   33    HA   LYS   8           HA       LYS   8  -7.218  -6.851  -1.279
   34    HB2  LYS   8           1HB      LYS   8  -4.783  -6.877   0.484
   35    HB3  LYS   8           2HB      LYS   8  -5.184  -5.408  -0.388
   36    HG2  LYS   8           1HG      LYS   8  -6.090  -5.265   1.808
   37    HG3  LYS   8           2HG      LYS   8  -7.376  -5.280   0.615
   38    HD2  LYS   8           1HD      LYS   8  -7.966  -6.490   2.645
   39    HD3  LYS   8           2HD      LYS   8  -8.001  -7.555   1.250
   40    HE2  LYS   8           1HE      LYS   8  -5.814  -8.510   1.883
   41    HE3  LYS   8           2HE      LYS   8  -5.658  -7.337   3.196
   42    HZ1  LYS   8           3HZ      LYS   8  -7.565  -8.344   4.281
   43    HZ2  LYS   8           1HZ      LYS   8  -6.460  -9.504   3.992
   44    HZ3  LYS   8           2HZ      LYS   8  -7.806  -9.407   3.069
   45    HA   PRO   9           HA       PRO   9  -5.167  -6.472  -5.171
   46    HB2  PRO   9           1HB      PRO   9  -6.081  -4.046  -6.029
   47    HB3  PRO   9           2HB      PRO   9  -7.106  -5.512  -5.909
   48    HG2  PRO   9           1HG      PRO   9  -6.765  -3.328  -3.821
   49    HG3  PRO   9           2HG      PRO   9  -8.308  -3.952  -4.512
   50    HD2  PRO   9           1HD      PRO   9  -7.280  -4.835  -2.175
   51    HD3  PRO   9           2HD      PRO   9  -8.048  -5.992  -3.320
   52    H    PHE  10           H        PHE  10  -4.829  -3.646  -2.938
   53    HA   PHE  10           HA       PHE  10  -2.278  -2.878  -4.297
   54    HB2  PHE  10           1HB      PHE  10  -4.073  -1.196  -2.559
   55    HB3  PHE  10           2HB      PHE  10  -2.691  -0.670  -3.487
   56    HD1  PHE  10           1HD      PHE  10  -2.682  -1.086  -6.045
   57    HD2  PHE  10           2HD      PHE  10  -6.232  -1.112  -3.608
   58    HE1  PHE  10           1HE      PHE  10  -4.069  -0.869  -8.076
   59    HE2  PHE  10           2HE      PHE  10  -7.636  -0.949  -5.654
   60    HZ   PHE  10           HZ       PHE  10  -6.557  -0.795  -7.894
   61    H    LYS  11           H        LYS  11  -0.998  -4.220  -3.458
   62    HA   LYS  11           HA       LYS  11  -0.325  -4.283  -0.577
   63    HB2  LYS  11           1HB      LYS  11  -0.314  -6.376  -1.845
   64    HB3  LYS  11           2HB      LYS  11   0.788  -5.698  -3.037
   65    HG2  LYS  11           1HG      LYS  11   1.920  -7.247  -1.525
   66    HG3  LYS  11           2HG      LYS  11   2.608  -5.631  -1.413
   67    HD2  LYS  11           1HD      LYS  11   1.615  -5.271   0.740
   68    HD3  LYS  11           2HD      LYS  11   0.486  -6.622   0.520
   69    HE2  LYS  11           1HE      LYS  11   2.152  -7.323   2.063
   70    HE3  LYS  11           2HE      LYS  11   2.378  -8.218   0.563
   71    HZ1  LYS  11           3HZ      LYS  11   4.431  -7.362   1.586
   72    HZ2  LYS  11           1HZ      LYS  11   3.971  -5.812   1.308
   73    HZ3  LYS  11           2HZ      LYS  11   4.257  -6.813   0.036
   74    H    CYS  12           H        CYS  12   0.967  -2.905   0.263
   75    HA   CYS  12           HA       CYS  12   2.525  -0.868  -0.909
   76    HB2  CYS  12           1HB      CYS  12   1.786  -0.960   1.414
   77    HB3  CYS  12           2HB      CYS  12   2.796  -2.381   1.707
   78    H    SER  13           H        SER  13   4.488  -0.731  -1.755
   79    HA   SER  13           HA       SER  13   5.982  -3.114  -2.512
   80    HB2  SER  13           1HB      SER  13   6.660  -0.171  -2.877
   81    HB3  SER  13           2HB      SER  13   7.445  -1.539  -3.690
   82    HG   SER  13           HG       SER  13   5.829  -0.575  -5.002
   83    H    LEU  14           H        LEU  14   5.965  -1.385   0.335
   84    HA   LEU  14           HA       LEU  14   8.906  -1.668   0.884
   85    HB2  LEU  14           1HB      LEU  14   6.878   0.228   2.115
   86    HB3  LEU  14           2HB      LEU  14   8.609   0.262   2.345
   87    HG   LEU  14           HG       LEU  14   7.282   0.732  -0.371
   88   HD11  LEU  14          1HD1      LEU  14   8.299   2.791   1.600
   89   HD12  LEU  14          2HD1      LEU  14   6.601   2.473   1.159
   90   HD13  LEU  14          3HD1      LEU  14   7.706   3.103  -0.057
   91   HD21  LEU  14          3HD2      LEU  14  10.112   1.260   0.613
   92   HD22  LEU  14          1HD2      LEU  14   9.466   1.686  -0.989
   93   HD23  LEU  14          2HD2      LEU  14   9.617  -0.014  -0.524
   94    H    CYS  15           H        CYS  15   5.668  -2.033   2.225
   95    HA   CYS  15           HA       CYS  15   6.709  -3.897   4.302
   96    HB2  CYS  15           1HB      CYS  15   5.603  -2.866   6.043
   97    HB3  CYS  15           2HB      CYS  15   6.354  -1.542   5.175
   98    H    GLU  16           H        GLU  16   4.539  -4.643   5.568
   99    HA   GLU  16           HA       GLU  16   3.191  -6.309   3.545
  100    HB2  GLU  16           1HB      GLU  16   4.380  -6.952   5.941
  101    HB3  GLU  16           2HB      GLU  16   2.718  -6.751   6.454
  102    HG2  GLU  16           1HG      GLU  16   2.873  -9.032   5.920
  103    HG3  GLU  16           2HG      GLU  16   2.148  -8.373   4.458
  104    H    TYR  17           H        TYR  17   2.472  -3.383   4.491
  105    HA   TYR  17           HA       TYR  17  -0.342  -3.516   5.142
  106    HB2  TYR  17           1HB      TYR  17   1.034  -1.525   5.421
  107    HB3  TYR  17           2HB      TYR  17   1.370  -1.458   3.712
  108    HD1  TYR  17           1HD      TYR  17  -0.391  -0.755   2.090
  109    HD2  TYR  17           2HD      TYR  17  -1.069  -0.638   6.342
  110    HE1  TYR  17           1HE      TYR  17  -2.296   0.825   1.741
  111    HE2  TYR  17           2HE      TYR  17  -2.967   0.940   5.988
  112    HH   TYR  17           HH       TYR  17  -4.242   2.076   4.463
  113    H    ALA  18           H        ALA  18  -2.145  -3.692   3.914
  114    HA   ALA  18           HA       ALA  18  -1.987  -3.151   1.088
  115    HB1  ALA  18           1HB      ALA  18  -1.424  -5.587   1.219
  116    HB2  ALA  18           2HB      ALA  18  -3.012  -5.881   1.947
  117    HB3  ALA  18           3HB      ALA  18  -2.897  -5.244   0.279
  118    H    THR  19           H        THR  19  -3.970  -2.762   0.069
  119    HA   THR  19           HA       THR  19  -6.407  -2.532   1.772
  120    HB   THR  19           HB       THR  19  -5.090  -0.479   2.102
  121    HG1  THR  19           1HG      THR  19  -7.202  -0.147   2.213
  122   HG21  THR  19          3HG2      THR  19  -3.885  -0.483  -0.083
  123   HG22  THR  19          1HG2      THR  19  -4.582   1.042   0.398
  124   HG23  THR  19          2HG2      THR  19  -5.386   0.070  -0.861
  125    H    ARG  20           H        ARG  20  -8.309  -1.856   0.587
  126    HA   ARG  20           HA       ARG  20  -8.563  -3.264  -2.001
  127    HB2  ARG  20           1HB      ARG  20 -10.614  -2.077  -0.116
  128    HB3  ARG  20           2HB      ARG  20 -11.011  -2.899  -1.613
  129    HG2  ARG  20           1HG      ARG  20  -9.595  -4.171   0.768
  130    HG3  ARG  20           2HG      ARG  20 -11.299  -4.333   0.379
  131    HD2  ARG  20           1HD      ARG  20  -9.003  -5.389  -1.321
  132    HD3  ARG  20           2HD      ARG  20 -10.030  -6.332  -0.251
  133    HE   ARG  20           HE       ARG  20 -11.599  -4.878  -2.196
  134   HH11  ARG  20          2HH1      ARG  20  -9.740  -7.889  -1.872
  135   HH12  ARG  20          1HH1      ARG  20 -10.553  -8.578  -3.241
  136   HH21  ARG  20          2HH2      ARG  20 -12.567  -5.892  -3.897
  137   HH22  ARG  20          1HH2      ARG  20 -12.103  -7.509  -4.330
  138    H    SER  21           H        SER  21  -8.000  -0.032  -1.161
  139    HA   SER  21           HA       SER  21  -8.943   0.864  -3.870
  140    HB2  SER  21           1HB      SER  21  -9.156   2.427  -1.274
  141    HB3  SER  21           2HB      SER  21  -9.568   3.022  -2.890
  142    HG   SER  21           HG       SER  21 -11.417   2.261  -1.757
  143    H    LYS  22           H        LYS  22  -7.430   1.859  -5.079
  144    HA   LYS  22           HA       LYS  22  -4.735   1.951  -4.260
  145    HB2  LYS  22           1HB      LYS  22  -4.254   2.983  -6.384
  146    HB3  LYS  22           2HB      LYS  22  -5.448   1.715  -6.567
  147    HG2  LYS  22           1HG      LYS  22  -7.262   3.422  -6.721
  148    HG3  LYS  22           2HG      LYS  22  -6.059   4.702  -6.514
  149    HD2  LYS  22           1HD      LYS  22  -6.612   4.507  -8.848
  150    HD3  LYS  22           2HD      LYS  22  -4.933   4.003  -8.605
  151    HE2  LYS  22           1HE      LYS  22  -5.633   1.621  -8.696
  152    HE3  LYS  22           2HE      LYS  22  -7.323   2.117  -8.873
  153    HZ1  LYS  22           3HZ      LYS  22  -6.718   3.177 -10.983
  154    HZ2  LYS  22           1HZ      LYS  22  -6.319   1.598 -11.023
  155    HZ3  LYS  22           2HZ      LYS  22  -5.157   2.724 -10.819
  156    H    SER  23           H        SER  23  -7.098   4.563  -4.095
  157    HA   SER  23           HA       SER  23  -5.313   6.680  -3.437
  158    HB2  SER  23           1HB      SER  23  -8.214   6.269  -2.619
  159    HB3  SER  23           2HB      SER  23  -7.315   7.799  -2.529
  160    HG   SER  23           HG       SER  23  -8.560   7.602  -4.470
  161    H    ASN  24           H        ASN  24  -6.536   4.044  -1.410
  162    HA   ASN  24           HA       ASN  24  -5.759   5.292   1.129
  163    HB2  ASN  24           1HB      ASN  24  -6.397   2.418   0.367
  164    HB3  ASN  24           2HB      ASN  24  -6.059   2.958   2.001
  165   HD21  ASN  24          1HD2      ASN  24  -8.328   1.602   1.398
  166   HD22  ASN  24          2HD2      ASN  24  -9.711   2.685   1.590
  167    H    LEU  25           H        LEU  25  -4.353   2.748  -1.038
  168    HA   LEU  25           HA       LEU  25  -1.965   2.510   0.451
  169    HB2  LEU  25           1HB      LEU  25  -2.554   0.820  -1.190
  170    HB3  LEU  25           2HB      LEU  25  -2.428   1.977  -2.515
  171    HG   LEU  25           HG       LEU  25  -0.054   2.204  -2.100
  172   HD11  LEU  25          1HD1      LEU  25   0.031   1.844   0.352
  173   HD12  LEU  25          2HD1      LEU  25   1.178   0.818  -0.485
  174   HD13  LEU  25          3HD1      LEU  25  -0.353   0.126   0.094
  175   HD21  LEU  25          3HD2      LEU  25   0.769   0.023  -2.750
  176   HD22  LEU  25          1HD2      LEU  25  -0.725   0.427  -3.613
  177   HD23  LEU  25          2HD2      LEU  25  -0.759  -0.720  -2.242
  178    H    LYS  26           H        LYS  26  -2.638   4.582  -2.353
  179    HA   LYS  26           HA       LYS  26  -0.227   5.966  -2.685
  180    HB2  LYS  26           1HB      LYS  26  -2.286   6.303  -4.016
  181    HB3  LYS  26           2HB      LYS  26  -3.093   7.001  -2.617
  182    HG2  LYS  26           1HG      LYS  26  -1.274   8.877  -2.718
  183    HG3  LYS  26           2HG      LYS  26  -0.867   8.188  -4.296
  184    HD2  LYS  26           1HD      LYS  26  -2.416   9.911  -4.759
  185    HD3  LYS  26           2HD      LYS  26  -3.375   8.416  -4.849
  186    HE2  LYS  26           1HE      LYS  26  -4.193   8.822  -2.527
  187    HE3  LYS  26           2HE      LYS  26  -3.222  10.296  -2.447
  188    HZ1  LYS  26           3HZ      LYS  26  -4.546  11.196  -4.282
  189    HZ2  LYS  26           1HZ      LYS  26  -5.522  10.790  -3.042
  190    HZ3  LYS  26           2HZ      LYS  26  -5.448   9.836  -4.367
  191    H    ALA  27           H        ALA  27  -2.690   6.569  -0.220
  192    HA   ALA  27           HA       ALA  27  -1.332   8.818   1.029
  193    HB1  ALA  27           1HB      ALA  27  -3.785   8.486   1.127
  194    HB2  ALA  27           2HB      ALA  27  -3.548   7.021   2.107
  195    HB3  ALA  27           3HB      ALA  27  -3.066   8.602   2.745
  196    H    HIS  28           H        HIS  28  -1.490   5.311   1.772
  197    HA   HIS  28           HA       HIS  28   0.131   5.352   4.139
  198    HB2  HIS  28           1HB      HIS  28  -1.317   3.540   3.681
  199    HB3  HIS  28           2HB      HIS  28  -0.607   3.254   2.098
  200    HD1  HIS  28           1HD      HIS  28   0.145   2.644   5.794
  201    HD2  HIS  28           2HD      HIS  28   1.707   1.971   1.947
  202    HE1  HIS  28           1HE      HIS  28   2.070   1.028   6.112
  203    H    MET  29           H        MET  29   0.976   5.046   0.671
  204    HA   MET  29           HA       MET  29   3.807   4.673   1.011
  205    HB2  MET  29           1HB      MET  29   2.293   5.937  -1.296
  206    HB3  MET  29           2HB      MET  29   3.938   5.324  -1.362
  207    HG2  MET  29           1HG      MET  29   1.944   3.289  -0.467
  208    HG3  MET  29           2HG      MET  29   1.625   3.979  -2.018
  209    HE1  MET  29           3HE      MET  29   5.252   1.448  -0.990
  210    HE2  MET  29           1HE      MET  29   5.134   3.141  -0.436
  211    HE3  MET  29           2HE      MET  29   3.927   1.945   0.091
  212    H    ASN  30           H        ASN  30   1.785   7.588   1.006
  213    HA   ASN  30           HA       ASN  30   4.038   9.448   1.041
  214    HB2  ASN  30           1HB      ASN  30   1.053   9.710   1.435
  215    HB3  ASN  30           2HB      ASN  30   2.126  10.997   1.963
  216   HD21  ASN  30          1HD2      ASN  30   1.174   9.110  -0.944
  217   HD22  ASN  30          2HD2      ASN  30   1.702  10.371  -2.055
  218    H    ARG  31           H        ARG  31   2.272   7.666   3.584
  219    HA   ARG  31           HA       ARG  31   3.571   9.009   5.812
  220    HB2  ARG  31           1HB      ARG  31   2.575   6.135   5.679
  221    HB3  ARG  31           2HB      ARG  31   3.055   7.011   7.123
  222    HG2  ARG  31           1HG      ARG  31   1.227   8.667   6.761
  223    HG3  ARG  31           2HG      ARG  31   0.725   7.782   5.318
  224    HD2  ARG  31           1HD      ARG  31  -0.727   7.115   7.072
  225    HD3  ARG  31           2HD      ARG  31   0.349   5.747   6.729
  226    HE   ARG  31           HE       ARG  31   1.489   7.318   8.828
  227   HH11  ARG  31          1HH1      ARG  31  -1.283   5.215   8.412
  228   HH12  ARG  31          2HH1      ARG  31  -1.308   4.766  10.096
  229   HH21  ARG  31          2HH2      ARG  31   1.400   6.700  10.960
  230   HH22  ARG  31          1HH2      ARG  31   0.170   5.594  11.494
  231    H    HIS  32           H        HIS  32   4.506   6.145   3.858
  232    HA   HIS  32           HA       HIS  32   7.025   5.726   5.159
  233    HB2  HIS  32           1HB      HIS  32   6.034   5.110   2.358
  234    HB3  HIS  32           2HB      HIS  32   7.670   4.747   2.879
  235    HD1  HIS  32           1HD      HIS  32   7.680   3.213   5.339
  236    HD2  HIS  32           2HD      HIS  32   4.500   3.048   2.588
  237    HE1  HIS  32           1HE      HIS  32   6.626   0.908   5.630
  238    H    SER  33           H        SER  33   6.145   7.865   2.437
  239    HA   SER  33           HA       SER  33   8.697   8.664   1.632
  240    HB2  SER  33           1HB      SER  33   6.503   9.095   0.485
  241    HB3  SER  33           2HB      SER  33   6.221  10.427   1.628
  242    HG   SER  33           HG       SER  33   7.193  11.112  -0.359
  243    H    THR  34           H        THR  34   6.861   9.910   4.413
  244    HA   THR  34           HA       THR  34   8.946  11.901   5.030
  245    HB   THR  34           HB       THR  34   6.684  12.546   5.396
  246    HG1  THR  34           1HG      THR  34   8.193  12.281   7.762
  247   HG21  THR  34          3HG2      THR  34   5.514  10.576   6.060
  248   HG22  THR  34          1HG2      THR  34   5.408  11.747   7.375
  249   HG23  THR  34          2HG2      THR  34   6.523  10.370   7.509
  250    H    GLU  35           H        GLU  35   9.983   9.426   4.746
  251    HA   GLU  35           HA       GLU  35  11.447   7.963   5.571
  252    HB2  GLU  35           1HB      GLU  35  12.445  10.261   5.945
  253    HB3  GLU  35           2HB      GLU  35  12.059  10.065   7.651
  254    HG2  GLU  35           1HG      GLU  35  14.366   9.496   7.326
  255    HG3  GLU  35           2HG      GLU  35  13.521   8.000   7.685
  256    H    LYS  36           H        LYS  36   9.302   6.893   6.203
  257    HA   LYS  36           HA       LYS  36   9.572   5.840   9.004
  258    HB2  LYS  36           1HB      LYS  36   6.993   5.978   7.416
  259    HB3  LYS  36           2HB      LYS  36   7.191   5.381   9.054
  260    HG2  LYS  36           1HG      LYS  36   7.595   8.263   8.155
  261    HG3  LYS  36           2HG      LYS  36   6.175   7.627   8.977
  262    HD2  LYS  36           1HD      LYS  36   7.484   7.146  10.992
  263    HD3  LYS  36           2HD      LYS  36   8.977   7.664  10.185
  264    HE2  LYS  36           1HE      LYS  36   8.007   9.925   9.838
  265    HE3  LYS  36           2HE      LYS  36   6.548   9.427  10.705
  266    HZ1  LYS  36           3HZ      LYS  36   8.101  10.590  12.170
  267    HZ2  LYS  36           1HZ      LYS  36   9.285   9.509  11.865
  268    HZ3  LYS  36           2HZ      LYS  36   7.943   9.047  12.676