*HEADER    ANTIBIOTIC                              11-OCT-05   2B9K              
*TITLE     SOLUTION STRUCTURE OF LCI, AN AMP FROM BACILLUS SUBTILIS              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIMICROBIAL PEPTIDE LCI;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: AMP;                                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: A014;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: ROSETA;                                    
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
*KEYWDS    BETA-STRANDED PROTEIN, AMP                                            
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    B.XIA, W.GONG, G.LU                                                   
*REVDAT   1   24-OCT-06 2B9K    0                                                

#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA CG2 CG1 HB
 &rst iat=15,19,23,18, &end
#
#  chirality for residue 2 atoms:  CB CD1 HG12 HG13
 &rst iat=17,26,24,25, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,30,16,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=34,39,37,38, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=36,42,40,41, &end
#
#  chirality for residue 3 atoms:  CD NZ HE2 HE3
 &rst iat=42,48,46,47, &end
#
#  chirality for residue 3 atoms:  CG CE HD2 HD3
 &rst iat=39,45,43,44, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=32,52,35,36, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=56,61,59,60, &end
#
#  chirality for residue 4 atoms:  CB CD1 CD2 HG
 &rst iat=58,63,67,62, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=54,71,57,58, &end
#
#  chirality for residue 5 atoms:  CA CG1 CG2 HB
 &rst iat=75,79,83,78, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=73,87,76,77, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=91,96,94,95, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=93,99,97,98, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=89,104,92,93, &end
#
#  chirality for residue 7 atoms:  CA OG HB2 HB3
 &rst iat=108,113,111,112, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=106,115,109,110, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=127,121,125,126, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=124,118,122,123, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=121,117,119,120, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=117,129,128,124, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=133,138,136,137, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=131,143,134,135, &end
#
#  chirality for residue 10 atoms:  N C HA2 HA3
 &rst iat=145,150,148,149, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=154,159,157,158, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=152,164,155,156, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=168,173,171,172, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=166,184,169,170, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=186,194,189,190, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=196,204,199,200, &end
#
#  chirality for residue 15 atoms:  CA OG HB2 HB3
 &rst iat=208,213,211,212, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=206,215,209,210, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=219,224,222,223, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=217,235,220,221, &end
#
#  chirality for residue 17 atoms:  CA CG1 CG2 HB
 &rst iat=239,243,247,242, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=237,251,240,241, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 18 atoms:  CB CD1 CD2 HG
 &rst iat=257,262,266,261, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=253,270,256,257, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=274,279,277,278, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=272,282,275,276, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=284,289,287,288, &end
#
#  chirality for residue 21 atoms:  CA CG2 OG1 HB
 &rst iat=293,297,301,296, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=291,303,294,295, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=307,312,310,311, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=309,315,313,314, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=315,321,319,320, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=312,318,316,317, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=305,325,308,309, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=327,349,330,331, &end
#
#  chirality for residue 24 atoms:  CA CG2 CG1 HB
 &rst iat=353,357,361,356, &end
#
#  chirality for residue 24 atoms:  CB CD1 HG12 HG13
 &rst iat=355,364,362,363, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=351,368,354,355, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=372,377,375,376, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=370,388,373,374, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=392,397,395,396, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=394,400,398,399, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=400,406,404,405, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=397,403,401,402, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=390,410,393,394, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=414,419,417,418, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=412,421,415,416, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=427,433,431,432, &end
#
#  chirality for residue 28 atoms:  CD NZ HE2 HE3
 &rst iat=433,439,437,438, &end
#
#  chirality for residue 28 atoms:  CG CE HD2 HD3
 &rst iat=430,436,434,435, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=423,443,426,427, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=447,452,450,451, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=445,464,448,449, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=468,473,471,472, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=466,485,469,470, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=487,497,490,491, &end
#
#  chirality for residue 32 atoms:  CA OG HB2 HB3
 &rst iat=501,506,504,505, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=499,508,502,503, &end
#
#  chirality for residue 33 atoms:  CA OG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=510,519,513,514, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=525,531,529,530, &end
#
#  chirality for residue 34 atoms:  CD NZ HE2 HE3
 &rst iat=531,537,535,536, &end
#
#  chirality for residue 34 atoms:  CG CE HD2 HD3
 &rst iat=528,534,532,533, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=521,541,524,525, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=543,548,546,547, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=552,557,555,556, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=550,569,553,554, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=573,578,576,577, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=571,593,574,575, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=597,601,605,600, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=595,609,598,599, &end
#
#  chirality for residue 39 atoms:  N C HA2 HA3
 &rst iat=611,616,614,615, &end
#
#  chirality for residue 40 atoms:  CA CG2 CG1 HB
 &rst iat=620,624,628,623, &end
#
#  chirality for residue 40 atoms:  CB CD1 HG12 HG13
 &rst iat=622,631,629,630, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=618,635,621,622, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=639,644,642,643, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=637,656,640,641, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=660,665,663,664, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=662,668,666,667, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=658,671,661,662, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=675,679,683,678, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=673,687,676,677, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=691,696,694,695, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=689,711,692,693, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=715,720,718,719, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=713,723,716,717, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=727,732,730,731, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=729,735,733,734, &end
#
#  chirality for residue 46 atoms:  CG NE HD2 HD3
 &rst iat=732,738,736,737, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=725,747,728,729, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=751,756,754,755, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=753,759,757,758, &end
#
#  chirality for residue 47 atoms:  CD NZ HE2 HE3
 &rst iat=759,765,763,764, &end
#
#  chirality for residue 47 atoms:  CG CE HD2 HD3
 &rst iat=756,762,760,761, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=749,769,752,753, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=34,32,30,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=56,54,52,34, &end
#
#  trans-omega constraint for residue 5
 &rst iat=75,73,71,56, &end
#
#  trans-omega constraint for residue 6
 &rst iat=91,89,87,75, &end
#
#  trans-omega constraint for residue 7
 &rst iat=108,106,104,91, &end
#
#  trans-omega constraint for residue 8
 &rst iat=127,117,115,108, &end
#
#  trans-omega constraint for residue 9
 &rst iat=133,131,129,127, &end
#
#  trans-omega constraint for residue 10
 &rst iat=147,145,143,133, &end
#
#  trans-omega constraint for residue 11
 &rst iat=154,152,150,147, &end
#
#  trans-omega constraint for residue 12
 &rst iat=168,166,164,154, &end
#
#  trans-omega constraint for residue 13
 &rst iat=188,186,184,168, &end
#
#  trans-omega constraint for residue 14
 &rst iat=198,196,194,188, &end
#
#  trans-omega constraint for residue 15
 &rst iat=208,206,204,198, &end
#
#  trans-omega constraint for residue 16
 &rst iat=219,217,215,208, &end
#
#  trans-omega constraint for residue 17
 &rst iat=239,237,235,219, &end
#
#  trans-omega constraint for residue 18
 &rst iat=255,253,251,239, &end
#
#  trans-omega constraint for residue 19
 &rst iat=274,272,270,255, &end
#
#  trans-omega constraint for residue 20
 &rst iat=286,284,282,274, &end
#
#  trans-omega constraint for residue 21
 &rst iat=293,291,289,286, &end
#
#  trans-omega constraint for residue 22
 &rst iat=307,305,303,293, &end
#
#  trans-omega constraint for residue 23
 &rst iat=329,327,325,307, &end
#
#  trans-omega constraint for residue 24
 &rst iat=353,351,349,329, &end
#
#  trans-omega constraint for residue 25
 &rst iat=372,370,368,353, &end
#
#  trans-omega constraint for residue 26
 &rst iat=392,390,388,372, &end
#
#  trans-omega constraint for residue 27
 &rst iat=414,412,410,392, &end
#
#  trans-omega constraint for residue 28
 &rst iat=425,423,421,414, &end
#
#  trans-omega constraint for residue 29
 &rst iat=447,445,443,425, &end
#
#  trans-omega constraint for residue 30
 &rst iat=468,466,464,447, &end
#
#  trans-omega constraint for residue 31
 &rst iat=489,487,485,468, &end
#
#  trans-omega constraint for residue 32
 &rst iat=501,499,497,489, &end
#
#  trans-omega constraint for residue 33
 &rst iat=512,510,508,501, &end
#
#  trans-omega constraint for residue 34
 &rst iat=523,521,519,512, &end
#
#  trans-omega constraint for residue 35
 &rst iat=545,543,541,523, &end
#
#  trans-omega constraint for residue 36
 &rst iat=552,550,548,545, &end
#
#  trans-omega constraint for residue 37
 &rst iat=573,571,569,552, &end
#
#  trans-omega constraint for residue 38
 &rst iat=597,595,593,573, &end
#
#  trans-omega constraint for residue 39
 &rst iat=613,611,609,597, &end
#
#  trans-omega constraint for residue 40
 &rst iat=620,618,616,613, &end
#
#  trans-omega constraint for residue 41
 &rst iat=639,637,635,620, &end
#
#  trans-omega constraint for residue 42
 &rst iat=660,658,656,639, &end
#
#  trans-omega constraint for residue 43
 &rst iat=675,673,671,660, &end
#
#  trans-omega constraint for residue 44
 &rst iat=691,689,687,675, &end
#
#  trans-omega constraint for residue 45
 &rst iat=715,713,711,691, &end
#
#  trans-omega constraint for residue 46
 &rst iat=727,725,723,715, &end
#
#  trans-omega constraint for residue 47
 &rst iat=751,749,747,727, &end
#
#  10 GLY HA2 10 GLY HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 146, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  10 GLY HA3 10 GLY HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 146, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 ASN HA 11 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASN HB2 11 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASN HB2 11 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASN HB3 11 ASN HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  11 ASN QB 11 ASN HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 157, 158,
 &end
#
#  11 ASN HB3 11 ASN HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASN QB 11 ASN HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 157, 158,
 &end
#
#  12 PHE HA 12 PHE HB2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 PHE HA 12 PHE HB3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 PHE HA 12 PHE QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 175, 183,
 &end
#
#  12 PHE QB 12 PHE QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 171, 172,
 igr2= 175, 183,
 &end
#
#  12 PHE QB 12 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 171, 172,
 &end
#
#  12 PHE QD 12 PHE QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 175, 183,
 igr2= 177, 181,
 &end
#
#  12 PHE QD 12 PHE HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 175, 183,
 &end
#
#  13 ALA HA 13 ALA QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 191, 192, 193,
 &end
#
#  14 ALA HA 14 ALA QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 201, 202, 203,
 &end
#
#  14 ALA HA 14 ALA HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  14 ALA QB 14 ALA HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 201, 202, 203,
 &end
#
#  15 SER HA 15 SER QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 211, 212,
 &end
#
#  15 SER HA 15 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 SER QB 15 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 211, 212,
 &end
#
#  16 PHE HA 16 PHE QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 222, 223,
 &end
#
#  16 PHE HA 16 PHE HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  16 PHE QB 16 PHE QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 222, 223,
 igr2= 226, 234,
 &end
#
#  16 PHE QB 16 PHE QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 222, 223,
 igr2= 228, 232,
 &end
#
#  16 PHE QB 16 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 222, 223,
 &end
#
#  16 PHE QE 16 PHE QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 228, 232,
 igr2= 226, 234,
 &end
#
#  17 VAL HA 17 VAL HB 1.8 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.60,  &end
#
#  17 VAL HA 17 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 VAL HB 17 VAL HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  17 VAL QG1 17 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 244, 245, 246,
 &end
#
#  17 VAL QG1 17 VAL HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 244, 245, 246,
 &end
#
#  17 VAL QG 17 VAL HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG2 17 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 248, 249, 250,
 &end
#
#  17 VAL QG2 17 VAL HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 248, 249, 250,
 &end
#
#  18 LEU HA 18 LEU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 258, 259,
 &end
#
#  18 LEU HA 18 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  18 LEU QB 18 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#  18 LEU QD 18 LEU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 263, 264, 265, 267, 268, 269,
 &end
#
#  18 LEU QD 18 LEU QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 263, 264, 265, 267, 268, 269,
 igr2= 258, 259,
 &end
#
#  19 ASP HA 19 ASP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 277, 278,
 &end
#
#  19 ASP HA 19 ASP HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  19 ASP HB2 19 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 ASP HB3 19 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  1 ALA HA 1 ALA QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=   8,   9,  10,
 &end
#
#  20 GLY QA 20 GLY HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 287, 288,
 &end
#
#  21 THR HA 21 THR HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 THR HA 21 THR QG2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 298, 299, 300,
 &end
#
#  21 THR HA 21 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  21 THR HB 21 THR QG2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 298, 299, 300,
 &end
#
#  21 THR HB 21 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  21 THR QG2 21 THR HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 298, 299, 300,
 &end
#
#  22 LYS HB2 22 LYS QG 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 313, 314,
 &end
#
#  22 LYS HB3 22 LYS QG 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 313, 314,
 &end
#
#  22 LYS QB 22 LYS HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 310, 311,
 &end
#
#  22 LYS QB 22 LYS QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 310, 311,
 igr2= 316, 317,
 &end
#
#  22 LYS QB 22 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 311,
 &end
#
#  22 LYS QD 22 LYS QE 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 316, 317,
 igr2= 319, 320,
 &end
#
#  22 LYS QE 22 LYS HD2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 319, 320,
 &end
#
#  22 LYS QE 22 LYS HD3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 319, 320,
 &end
#
#  22 LYS HG2 22 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 LYS QG 22 LYS QE 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 313, 314,
 igr2= 319, 320,
 &end
#
#  22 LYS HG3 22 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 LYS QG 22 LYS HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 313, 314,
 &end
#
#  22 LYS QG 22 LYS QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 313, 314,
 igr2= 310, 311,
 &end
#
#  22 LYS QG 22 LYS QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 313, 314,
 igr2= 316, 317,
 &end
#
#  22 LYS QG 22 LYS QZ 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 313, 314,
 igr2= 322, 323, 324,
 &end
#
#  22 LYS HN 22 LYS HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 TRP QB 23 TRP HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 332, 333,
 &end
#
#  23 TRP QB 23 TRP HE3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
#  23 TRP QB 23 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
#  23 TRP HD1 23 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
#  23 TRP HD1 23 TRP HE1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 TRP HE1 23 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 TRP HE1 23 TRP HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 TRP HE1 23 TRP HZ2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 TRP HE3 23 TRP HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 330, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  23 TRP HH2 23 TRP HZ2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 TRP HN 23 TRP HD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 TRP HZ3 23 TRP HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 330, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 TRP HZ3 23 TRP QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 332, 333,
 &end
#
#  24 ILE HA 24 ILE HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 356, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 ILE HA 24 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  24 ILE HB 24 ILE QG2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 358, 359, 360,
 &end
#
#  24 ILE HB 24 ILE HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  24 ILE QD1 24 ILE HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 365, 366, 367,
 &end
#
#  24 ILE QD1 24 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 365, 366, 367,
 &end
#
#  24 ILE QG1 24 ILE HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 362, 363,
 &end
#
#  24 ILE QG1 24 ILE QG2 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 362, 363,
 igr2= 358, 359, 360,
 &end
#
#  24 ILE QG1 24 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 362, 363,
 &end
#
#  24 ILE QG2 24 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 358, 359, 360,
 &end
#
#  24 ILE QG2 24 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 358, 359, 360,
 &end
#
#  24 ILE QG2 24 ILE HG12 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 358, 359, 360,
 &end
#
#  24 ILE QG2 24 ILE HG13 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 358, 359, 360,
 &end
#
#  25 PHE HA 25 PHE QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 387,
 &end
#
#  25 PHE HA 25 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 PHE HB2 25 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 PHE HB3 25 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 PHE QB 25 PHE HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 375, 376,
 &end
#
#  25 PHE QB 25 PHE QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 375, 376,
 igr2= 379, 387,
 &end
#
#  25 PHE QD 25 PHE QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 379, 387,
 igr2= 381, 385,
 &end
#
#  25 PHE QD 25 PHE HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 379, 387,
 &end
#
#  25 PHE QE 25 PHE QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 381, 385,
 igr2= 375, 376,
 &end
#
#  26 LYS HA 26 LYS QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 395, 396,
 &end
#
#  26 LYS HB2 26 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 LYS HB3 26 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 LYS QB 26 LYS QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 395, 396,
 igr2= 404, 405,
 &end
#
#  26 LYS QD 26 LYS QE 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 401, 402,
 igr2= 404, 405,
 &end
#
#  26 LYS QE 26 LYS HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 404, 405,
 &end
#
#  27 SER HA 27 SER QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 417, 418,
 &end
#
#  27 SER HA 27 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 413, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  27 SER QB 27 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 417, 418,
 &end
#
#  28 LYS HA 28 LYS HB2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 428, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  28 LYS HA 28 LYS HB3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  28 LYS HA 28 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 LYS QB 28 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 428, 429,
 &end
#
#  29 TYR HA 29 TYR QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 450, 451,
 &end
#
#  29 TYR HA 29 TYR HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  29 TYR HB2 29 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR HB3 29 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR QD 29 TYR HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 454, 463,
 &end
#
#  29 TYR QD 29 TYR HB2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 454, 463,
 &end
#
#  29 TYR QD 29 TYR HB3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 454, 463,
 &end
#
#  29 TYR QD 29 TYR QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 454, 463,
 igr2= 456, 461,
 &end
#
#  29 TYR HN 29 TYR QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 454, 463,
 &end
#
#  2 ILE HA 2 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  18, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  2 ILE HA 2 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  14, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  2 ILE HB 2 ILE QG2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  20,  21,  22,
 &end
#
#  2 ILE HB 2 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  14, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  2 ILE QG2 2 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  20,  21,  22,
 &end
#
#  2 ILE QG2 2 ILE QG1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  20,  21,  22,
 igr2=  24,  25,
 &end
#
#  2 ILE QG2 2 ILE HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  20,  21,  22,
 &end
#
#  2 ILE QG1 2 ILE HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  24,  25,
 &end
#
#  2 ILE HN 2 ILE QD1 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  27,  28,  29,
 &end
#
#  30 TYR HA 30 TYR QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 471, 472,
 &end
#
#  30 TYR HA 30 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 TYR HB2 30 TYR QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 475, 484,
 &end
#
#  30 TYR HB2 30 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 477, 482,
 &end
#
#  30 TYR HB3 30 TYR QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 475, 484,
 &end
#
#  30 TYR HB3 30 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 477, 482,
 &end
#
#  30 TYR QB 30 TYR HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 471, 472,
 &end
#
#  30 TYR QD 30 TYR HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 30 TYR QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 475, 484,
 igr2= 477, 482,
 &end
#
#  30 TYR QD 30 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 475, 484,
 &end
#
#  31 ASP HA 31 ASP QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 492, 493,
 &end
#
#  31 ASP HA 31 ASP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 ASP QB 31 ASP HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 492, 493,
 &end
#
#  32 SER HA 32 SER QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 504, 505,
 &end
#
#  32 SER HA 32 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  32 SER QB 32 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 504, 505,
 &end
#
#  33 SER HA 33 SER QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 515, 516,
 &end
#
#  31 ASP HB2 33 SER HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ASP HB3 33 SER HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 SER HA 33 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 SER QB 33 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 515, 516,
 &end
#
#  34 LYS HA 34 LYS QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 526, 527,
 &end
#
#  34 LYS HA 34 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  34 LYS QB 34 LYS QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 526, 527,
 igr2= 535, 536,
 &end
#
#  34 LYS QB 34 LYS QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 527,
 igr2= 529, 530,
 &end
#
#  34 LYS QB 34 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 526, 527,
 &end
#
#  34 LYS QD 34 LYS HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 532, 533,
 &end
#
#  34 LYS QD 34 LYS QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 532, 533,
 igr2= 526, 527,
 &end
#
#  34 LYS QD 34 LYS QE 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 532, 533,
 igr2= 535, 536,
 &end
#
#  35 GLY HA2 35 GLY HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  35 GLY HA3 35 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 TYR HA 36 TYR QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 555, 556,
 &end
#
#  36 TYR HA 36 TYR QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 559, 568,
 &end
#
#  36 TYR HA 36 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 TYR QB 36 TYR QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 555, 556,
 igr2= 559, 568,
 &end
#
#  36 TYR QD 36 TYR QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 559, 568,
 igr2= 561, 566,
 &end
#
#  36 TYR QE 36 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 561, 566,
 igr2= 555, 556,
 &end
#
#  37 TRP HA 37 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 576, 577,
 &end
#
#  37 TRP HA 37 TRP HE3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 591, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 TRP QB 37 TRP HD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 576, 577,
 &end
#
#  37 TRP QB 37 TRP HE3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 576, 577,
 &end
#
#  37 TRP QB 37 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 576, 577,
 &end
#
#  37 TRP HD1 37 TRP HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 572, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  37 TRP HE1 37 TRP HD1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 TRP HE1 37 TRP HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 572, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 TRP HE3 37 TRP HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 572, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 TRP HE3 37 TRP HZ3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 589, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 TRP HH2 37 TRP HZ2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 TRP HZ2 37 TRP HE1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 582, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 TRP HZ3 37 TRP QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 576, 577,
 &end
#
#  37 TRP HZ3 37 TRP HH2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 VAL HA 38 VAL HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 VAL HB 38 VAL HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 VAL HB 38 VAL HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 VAL QG 38 VAL HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#  38 VAL QG 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#  39 GLY QA 39 GLY HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 614, 615,
 &end
#
#  3 LYS QD 3 LYS QZ 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  43,  44,
 igr2=  49,  50,  51,
 &end
#
#  3 LYS QG 3 LYS HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  40,  41,
 &end
#
#  40 ILE HA 40 ILE HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 ILE HA 40 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 ILE HB 40 ILE HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 619, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  40 ILE QD1 40 ILE HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 632, 633, 634,
 &end
#
#  40 ILE QG1 40 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 629, 630,
 &end
#
#  40 ILE QG1 40 ILE QD1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 629, 630,
 igr2= 632, 633, 634,
 &end
#
#  40 ILE QG1 40 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 629, 630,
 &end
#
#  41 TYR HA 41 TYR QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 642, 643,
 &end
#
#  41 TYR HA 41 TYR QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 646, 655,
 &end
#
#  41 TYR HA 41 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  41 TYR HB2 41 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 648, 653,
 &end
#
#  41 TYR HB3 41 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 648, 653,
 &end
#
#  41 TYR QB 41 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 642, 643,
 &end
#
#  41 TYR QD 41 TYR QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 646, 655,
 igr2= 642, 643,
 &end
#
#  41 TYR QD 41 TYR QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 646, 655,
 igr2= 648, 653,
 &end
#
#  41 TYR QD 41 TYR HH 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 646, 655,
 &end
#
#  41 TYR QE 41 TYR HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 648, 653,
 &end
#
#  41 TYR QE 41 TYR HH 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 648, 653,
 &end
#
#  42 GLU HA 42 GLU QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 663, 664,
 &end
#
#  42 GLU HA 42 GLU QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 666, 667,
 &end
#
#  42 GLU HA 42 GLU HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 659, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 GLU HB2 42 GLU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 GLU HB3 42 GLU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 GLU HG2 42 GLU HB2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 663, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 GLU HG2 42 GLU HB3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 664, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 GLU HG3 42 GLU HB2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 663, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 GLU HG3 42 GLU HB3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 664, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 GLU QG 42 GLU HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 666, 667,
 &end
#
#  43 VAL HA 43 VAL HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 678, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  43 VAL HA 43 VAL QG1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 680, 681, 682,
 &end
#
#  43 VAL HA 43 VAL QG2 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 684, 685, 686,
 &end
#
#  43 VAL HA 43 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  43 VAL HB 43 VAL QG1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 680, 681, 682,
 &end
#
#  43 VAL HB 43 VAL QG2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 684, 685, 686,
 &end
#
#  43 VAL HB 43 VAL HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  43 VAL QG 43 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 680, 681, 682, 684, 685, 686,
 &end
#
#  44 TRP HA 44 TRP QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 694, 695,
 &end
#
#  44 TRP HA 44 TRP HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 690, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  44 TRP HB2 44 TRP HE3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 TRP HB3 44 TRP HE3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 TRP QB 44 TRP HD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 694, 695,
 &end
#
#  44 TRP QB 44 TRP HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 694, 695,
 &end
#
#  44 TRP QB 44 TRP HZ3 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 694, 695,
 &end
#
#  44 TRP HD1 44 TRP HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 692, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  44 TRP HD1 44 TRP HE1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  44 TRP HE1 44 TRP HZ2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 703, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  44 TRP HE3 44 TRP HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  44 TRP HE3 44 TRP HZ3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 707, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  44 TRP HN 44 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 709, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HZ2 44 TRP HH2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  45 ASP HA 45 ASP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 718, 719,
 &end
#
#  45 ASP HA 45 ASP HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  45 ASP HB2 45 ASP HN 1.8 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  45 ASP HB3 45 ASP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  46 ARG HA 46 ARG HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  46 ARG HB2 46 ARG HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  46 ARG HB3 46 ARG HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  46 ARG QB 46 ARG QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 730, 731,
 igr2= 736, 737,
 &end
#
#  46 ARG QB 46 ARG HE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#  46 ARG QB 46 ARG HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 730, 731,
 &end
#
#  46 ARG QD 46 ARG QG 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 736, 737,
 igr2= 733, 734,
 &end
#
#  46 ARG HE 46 ARG QD 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 736, 737,
 &end
#
#  46 ARG HE 46 ARG QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#  46 ARG QG 46 ARG HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 733, 734,
 &end
#
#  47 LYS HA 47 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  47 LYS QB 47 LYS HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 754, 755,
 &end
#
#  47 LYS QG 47 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 757, 758,
 &end
#
#  47 LYS HN 47 LYS QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 754, 755,
 &end
#
#  5 VAL HA 5 VAL HB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  78, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  5 VAL HA 5 VAL QG1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  80,  81,  82,
 &end
#
#  5 VAL HA 5 VAL QG2 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  84,  85,  86,
 &end
#
#  5 VAL HB 5 VAL QG1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  80,  81,  82,
 &end
#
#  5 VAL HB 5 VAL QG2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  84,  85,  86,
 &end
#
#  6 GLN HA 6 GLN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  94,  95,
 &end
#
#  6 GLN HA 6 GLN QE2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 102, 103,
 &end
#
#  6 GLN HA 6 GLN QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  97,  98,
 &end
#
#  6 GLN HA 6 GLN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  6 GLN QB 6 GLN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  94,  95,
 &end
#
#  6 GLN QG 6 GLN QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  97,  98,
 igr2=  94,  95,
 &end
#
#  6 GLN QG 6 GLN QE2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  97,  98,
 igr2= 102, 103,
 &end
#
#  6 GLN QG 6 GLN HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  97,  98,
 &end
#
#  7 SER HA 7 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  7 SER QB 7 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 111, 112,
 &end
#
#  7 SER QB 7 SER HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 111, 112,
 &end
#
#  8 PRO HA 8 PRO QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 125, 126,
 &end
#
#  8 PRO QB 8 PRO HD2 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 125, 126,
 &end
#
#  8 PRO QB 8 PRO HD3 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 125, 126,
 &end
#
#  8 PRO HD2 8 PRO HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  8 PRO HD3 8 PRO HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  8 PRO QG 8 PRO HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 122, 123,
 &end
#
#  8 PRO QG 8 PRO QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 122, 123,
 igr2= 125, 126,
 &end
#
#  8 PRO QG 8 PRO HD2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 122, 123,
 &end
#
#  8 PRO QG 8 PRO HD3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 122, 123,
 &end
#
#  9 ASN HA 9 ASN QD2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 141, 142,
 &end
#
#  9 ASN HA 9 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  9 ASN QB 9 ASN HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 136, 137,
 &end
#
#  9 ASN QB 9 ASN HD21 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 136, 137,
 &end
#
#  9 ASN QB 9 ASN HD22 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 136, 137,
 &end
#
#  9 ASN HB2 9 ASN QD2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 141, 142,
 &end
#
#  9 ASN HB3 9 ASN QD2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 141, 142,
 &end
#
#  9 ASN QB 9 ASN HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 136, 137,
 &end
#
#  9 ASN HN 9 ASN QD2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 141, 142,
 &end
#
#  10 GLY HA2 11 ASN HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 GLY HA2 11 ASN HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  10 GLY HA3 11 ASN HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  10 GLY HN 11 ASN HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 GLY HN 11 ASN HN 3.0 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 153, r1= 2.50, r2= 3.00, r3= 3.50, r4= 4.00,  &end
#
#  11 ASN HA 12 PHE HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 ASN HB2 12 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASN HB3 12 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 PHE HA 14 ALA HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 197, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  12 PHE QB 13 ALA HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 171, 172,
 &end
#
#  12 PHE QB 14 ALA QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 171, 172,
 igr2= 201, 202, 203,
 &end
#
#  12 PHE QD 13 ALA HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 175, 183,
 &end
#
#  12 PHE QD 14 ALA QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 175, 183,
 igr2= 201, 202, 203,
 &end
#
#  12 PHE QE 13 ALA HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 177, 181,
 &end
#
#  12 PHE HN 13 ALA HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 ALA HA 15 SER HN 1.8 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 207, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  13 ALA QB 14 ALA HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 191, 192, 193,
 &end
#
#  13 ALA QB 15 SER HA 1.8 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 191, 192, 193,
 &end
#
#  13 ALA QB 15 SER HN 1.8 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 191, 192, 193,
 &end
#
#  13 ALA HN 14 ALA HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  14 ALA HA 15 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 ALA QB 15 SER HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 201, 202, 203,
 &end
#
#  14 ALA QB 15 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 201, 202, 203,
 &end
#
#  14 ALA HN 15 SER HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 ALA HN 15 SER HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  15 SER HA 16 PHE HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 SER HA 16 PHE QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 222, 223,
 &end
#
#  15 SER HA 16 PHE HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 218, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  15 SER QB 16 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 211, 212,
 &end
#
#  15 SER HN 16 PHE HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 SER HN 16 PHE QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 222, 223,
 &end
#
#  15 SER HN 16 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 PHE HA 17 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 PHE HA 17 VAL QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 244, 245, 246, 248, 249, 250,
 &end
#
#  16 PHE HA 17 VAL HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  16 PHE QB 17 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 222, 223,
 igr2= 244, 245, 246, 248, 249, 250,
 &end
#
#  16 PHE QB 17 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 222, 223,
 &end
#
#  16 PHE QD 17 VAL HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 226, 234,
 &end
#
#  16 PHE QD 17 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 226, 234,
 &end
#
#  16 PHE QD 18 LEU QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 226, 234,
 igr2= 258, 259,
 &end
#
#  16 PHE QD 18 LEU QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 226, 234,
 igr2= 263, 264, 265, 267, 268, 269,
 &end
#
#  16 PHE QD 18 LEU HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 226, 234,
 &end
#
#  16 PHE QE 18 LEU QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 228, 232,
 igr2= 258, 259,
 &end
#
#  16 PHE QE 18 LEU HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 228, 232,
 &end
#
#  16 PHE HN 17 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL HA 18 LEU HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  17 VAL HA 20 GLY HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  17 VAL HA 21 THR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 VAL HA 22 LYS HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  17 VAL HA 22 LYS QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 310, 311,
 &end
#
#  17 VAL HA 22 LYS QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 313, 314,
 &end
#
#  17 VAL HA 22 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 VAL QG 18 LEU HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG 18 LEU HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG 19 ASP HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG 20 GLY QA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 244, 245, 246, 248, 249, 250,
 igr2= 287, 288,
 &end
#
#  17 VAL QG 20 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG 21 THR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG 21 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG 22 LYS HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG 22 LYS QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 244, 245, 246, 248, 249, 250,
 igr2= 310, 311,
 &end
#
#  17 VAL QG 22 LYS QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 244, 245, 246, 248, 249, 250,
 igr2= 319, 320,
 &end
#
#  17 VAL QG 22 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL HN 18 LEU HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU HA 19 ASP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  18 LEU HA 21 THR HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 LEU HA 23 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU HA 23 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU QB 19 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 258, 259,
 &end
#
#  18 LEU QB 21 THR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 258, 259,
 &end
#
#  18 LEU QB 23 TRP HE1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#  18 LEU QD1 23 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 263, 264, 265,
 &end
#
#  18 LEU QD2 23 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 267, 268, 269,
 &end
#
#  18 LEU QD 19 ASP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 263, 264, 265, 267, 268, 269,
 igr2= 277, 278,
 &end
#
#  18 LEU QD 19 ASP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 263, 264, 265, 267, 268, 269,
 &end
#
#  18 LEU QD 23 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 263, 264, 265, 267, 268, 269,
 &end
#
#  18 LEU QD 23 TRP HZ2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 263, 264, 265, 267, 268, 269,
 &end
#
#  18 LEU HN 19 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU HN 20 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU HN 21 THR HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU HN 21 THR QG2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 298, 299, 300,
 &end
#
#  18 LEU HN 21 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  18 LEU HN 22 LYS HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 308, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  18 LEU HN 23 TRP HD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  18 LEU HN 23 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 ASP HA 20 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  19 ASP QB 21 THR HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 277, 278,
 &end
#
#  19 ASP HN 20 GLY QA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 287, 288,
 &end
#
#  19 ASP HN 20 GLY HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 ASP HN 21 THR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  1 ALA QB 2 ILE HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=   8,   9,  10,
 &end
#
#  20 GLY QA 21 THR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 287, 288,
 &end
#
#  20 GLY QA 21 THR QG2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 287, 288,
 igr2= 298, 299, 300,
 &end
#
#  20 GLY QA 21 THR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 287, 288,
 &end
#
#  20 GLY HN 21 THR HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 292, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 THR HA 22 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 THR HA 23 TRP HD1 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  21 THR HA 23 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR HB 22 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR HB 23 TRP HD1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  21 THR HB 23 TRP HE1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 THR HB 23 TRP HZ2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 341, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR QG2 22 LYS QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 298, 299, 300,
 igr2= 310, 311,
 &end
#
#  21 THR QG2 22 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 298, 299, 300,
 &end
#
#  21 THR QG2 23 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 298, 299, 300,
 &end
#
#  21 THR QG2 23 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 298, 299, 300,
 &end
#
#  21 THR QG2 23 TRP HH2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 298, 299, 300,
 &end
#
#  21 THR QG2 23 TRP HZ2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 298, 299, 300,
 &end
#
#  21 THR HN 22 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR HN 23 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR HN 23 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 LYS HA 23 TRP HD1 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 LYS HA 23 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  22 LYS QB 23 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 311,
 &end
#
#  22 LYS QD 23 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 316, 317,
 &end
#
#  22 LYS QG 23 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 313, 314,
 &end
#
#  22 LYS HN 23 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 LYS HN 23 TRP HE1 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 LYS HN 23 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 TRP HA 24 ILE QG2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 358, 359, 360,
 &end
#
#  23 TRP HA 24 ILE HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 352, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 TRP HB2 24 ILE HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  23 TRP HB3 24 ILE HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  23 TRP QB 24 ILE QG2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 332, 333,
 igr2= 358, 359, 360,
 &end
#
#  23 TRP QB 24 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
#  23 TRP HD1 24 ILE HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 TRP HE3 24 ILE HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  23 TRP HN 24 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ILE HA 25 PHE QD 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 379, 387,
 &end
#
#  24 ILE HA 25 PHE HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 ILE HB 25 PHE HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  24 ILE QG2 25 PHE QB 1.8 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 358, 359, 360,
 igr2= 375, 376,
 &end
#
#  24 ILE QG2 25 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 358, 359, 360,
 &end
#
#  24 ILE QG2 26 LYS HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 358, 359, 360,
 &end
#
#  24 ILE QG1 25 PHE HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 362, 363,
 &end
#
#  24 ILE QG1 25 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 362, 363,
 &end
#
#  24 ILE HN 25 PHE HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ILE HN 25 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE HA 26 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 391, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 PHE HA 27 SER HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 413, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE HB2 26 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 391, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE HB3 26 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE QD 26 LYS HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 387,
 &end
#
#  25 PHE QD 26 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 379, 387,
 &end
#
#  25 PHE QD 28 LYS QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 379, 387,
 igr2= 428, 429,
 &end
#
#  25 PHE QE 27 SER HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 385,
 &end
#
#  25 PHE QE 27 SER QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 381, 385,
 igr2= 417, 418,
 &end
#
#  25 PHE QE 28 LYS QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 381, 385,
 igr2= 428, 429,
 &end
#
#  25 PHE QE 28 LYS HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 381, 385,
 &end
#
#  26 LYS HA 27 SER HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  26 LYS QB 27 SER QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 395, 396,
 igr2= 417, 418,
 &end
#
#  26 LYS QB 27 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 395, 396,
 &end
#
#  26 LYS QD 27 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 401, 402,
 &end
#
#  26 LYS HN 27 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 413, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  27 SER HA 28 LYS HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 426, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER HA 28 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  27 SER QB 28 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 417, 418,
 &end
#
#  27 SER QB 29 TYR QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 417, 418,
 igr2= 450, 451,
 &end
#
#  28 LYS HA 29 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS HA 29 TYR HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  28 LYS QB 29 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 428, 429,
 igr2= 450, 451,
 &end
#
#  28 LYS QB 29 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 428, 429,
 &end
#
#  28 LYS HN 29 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS HN 29 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR HA 30 TYR QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 471, 472,
 &end
#
#  29 TYR HA 30 TYR HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  29 TYR HB2 30 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR HB3 30 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR QB 30 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 450, 451,
 &end
#
#  29 TYR QB 30 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 450, 451,
 igr2= 471, 472,
 &end
#
#  29 TYR QD 30 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 463,
 &end
#
#  29 TYR QD 30 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 463,
 &end
#
#  29 TYR QD 31 ASP HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 454, 463,
 &end
#
#  29 TYR QD 31 ASP QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 454, 463,
 igr2= 492, 493,
 &end
#
#  29 TYR QD 31 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 463,
 &end
#
#  29 TYR QE 31 ASP QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 456, 461,
 igr2= 492, 493,
 &end
#
#  29 TYR QE 31 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 456, 461,
 &end
#
#  29 TYR QE 32 SER HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 456, 461,
 &end
#
#  29 TYR HN 30 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR HN 30 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  2 ILE HA 3 LYS HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  35, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  2 ILE HA 3 LYS QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  37,  38,
 &end
#
#  2 ILE HB 3 LYS HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  35, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  2 ILE QG2 3 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  20,  21,  22,
 &end
#
#  30 TYR HA 31 ASP HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HA 31 ASP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 TYR HB2 31 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HB3 31 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR QD 31 ASP HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 32 SER HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 32 SER HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 475, 484,
 &end
#
#  30 TYR QE 31 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 482,
 &end
#
#  30 TYR QE 32 SER HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 477, 482,
 &end
#
#  30 TYR QE 35 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 482,
 &end
#
#  30 TYR HN 31 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ASP HA 32 SER HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ASP HA 32 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 ASP QB 32 SER HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 492, 493,
 &end
#
#  31 ASP QB 33 SER QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 493,
 igr2= 515, 516,
 &end
#
#  31 ASP QB 34 LYS QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 492, 493,
 igr2= 526, 527,
 &end
#
#  31 ASP QB 36 TYR QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 492, 493,
 igr2= 559, 568,
 &end
#
#  31 ASP QB 36 TYR QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 492, 493,
 igr2= 561, 566,
 &end
#
#  31 ASP QB 36 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 492, 493,
 &end
#
#  31 ASP HN 32 SER HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ASP HN 36 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 559, 568,
 &end
#
#  31 ASP HN 36 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  32 SER HA 33 SER HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  32 SER HA 33 SER HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 511, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  32 SER HA 34 LYS HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 522, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  32 SER HA 35 GLY HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  32 SER HN 35 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 SER HA 34 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  33 SER HA 35 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 SER QB 34 LYS QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 515, 516,
 igr2= 526, 527,
 &end
#
#  33 SER QB 34 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 515, 516,
 &end
#
#  33 SER HN 34 LYS QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 526, 527,
 &end
#
#  33 SER HN 34 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 522, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 SER HN 35 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 LYS HA 35 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 LYS HB2 35 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 LYS HB2 36 TYR QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 559, 568,
 &end
#
#  34 LYS HB2 36 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 566,
 &end
#
#  34 LYS HB3 35 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 LYS HB3 36 TYR QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 559, 568,
 &end
#
#  34 LYS HB3 36 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 566,
 &end
#
#  34 LYS QB 36 TYR QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 526, 527,
 igr2= 555, 556,
 &end
#
#  34 LYS QB 36 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 526, 527,
 &end
#
#  34 LYS HN 35 GLY HA2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 LYS HN 35 GLY HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  35 GLY HA2 36 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLY HA2 36 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  35 GLY HA3 36 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  35 GLY QA 36 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 546, 547,
 igr2= 559, 568,
 &end
#
#  35 GLY HN 36 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 566,
 &end
#
#  35 GLY HN 36 TYR HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  36 TYR HA 37 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 TYR HA 37 TRP HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 572, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  36 TYR QB 37 TRP HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 555, 556,
 &end
#
#  36 TYR QB 38 VAL HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 555, 556,
 &end
#
#  36 TYR QD 37 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 559, 568,
 &end
#
#  36 TYR QD 38 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 559, 568,
 &end
#
#  36 TYR QD 38 VAL QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 559, 568,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  36 TYR QD 38 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559, 568,
 &end
#
#  36 TYR QE 38 VAL HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 566,
 &end
#
#  36 TYR HN 37 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 TRP HA 38 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 TRP HA 38 VAL QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  37 TRP HA 38 VAL HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 TRP QB 38 VAL HB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 576, 577,
 &end
#
#  37 TRP QB 38 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 576, 577,
 &end
#
#  37 TRP QB 39 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 576, 577,
 &end
#
#  37 TRP HE3 38 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 TRP HE3 39 GLY QA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 614, 615,
 &end
#
#  37 TRP HN 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 TRP HZ3 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL HA 39 GLY QA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 614, 615,
 &end
#
#  38 VAL HA 39 GLY HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 VAL HB 39 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL QG 39 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#  39 GLY QA 40 ILE QG1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 614, 615,
 igr2= 629, 630,
 &end
#
#  39 GLY QA 40 ILE HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 614, 615,
 &end
#
#  39 GLY QA 41 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 614, 615,
 igr2= 646, 655,
 &end
#
#  39 GLY QA 44 TRP HZ3 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 614, 615,
 &end
#
#  39 GLY HN 40 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 GLY HN 44 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  3 LYS HA 4 LEU QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  59,  60,
 &end
#
#  3 LYS HA 4 LEU HG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  3 LYS HA 4 LEU HN 1.8 2.7
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  55, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  3 LYS HB3 4 LEU HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  55, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  3 LYS HB2 4 LEU HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  55, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  3 LYS QB 4 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  37,  38,
 &end
#
#  3 LYS QB 5 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  37,  38,
 &end
#
#  3 LYS HN 4 LEU HG 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  62, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 ILE HA 41 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 ILE HA 41 TYR QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 642, 643,
 &end
#
#  40 ILE HA 41 TYR QD 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 646, 655,
 &end
#
#  40 ILE HA 41 TYR HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  40 ILE HB 41 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 ILE QG2 41 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 625, 626, 627,
 &end
#
#  40 ILE HN 41 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 ILE HN 41 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 646, 655,
 &end
#
#  41 TYR HA 42 GLU HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  41 TYR HA 43 VAL HB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  41 TYR QB 42 GLU HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 642, 643,
 &end
#
#  41 TYR QB 42 GLU HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 642, 643,
 &end
#
#  41 TYR QB 43 VAL QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 642, 643,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  41 TYR QD 42 GLU HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 646, 655,
 &end
#
#  41 TYR QD 43 VAL HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 646, 655,
 &end
#
#  41 TYR QD 43 VAL HB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 646, 655,
 &end
#
#  41 TYR QD 43 VAL QG1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 646, 655,
 igr2= 680, 681, 682,
 &end
#
#  41 TYR QD 43 VAL QG2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 646, 655,
 igr2= 684, 685, 686,
 &end
#
#  41 TYR QD 43 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 646, 655,
 &end
#
#  41 TYR QD 44 TRP HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 646, 655,
 &end
#
#  42 GLU HA 43 VAL HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 GLU HA 43 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  42 GLU HA 43 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 GLU HB2 43 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 GLU HB3 43 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 GLU QB 43 VAL QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 663, 664,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  42 GLU QG 43 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 666, 667,
 &end
#
#  42 GLU QG 43 VAL QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 666, 667,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  42 GLU QG 43 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 666, 667,
 &end
#
#  42 GLU HN 43 VAL HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  42 GLU HN 43 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 GLU HN 43 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  43 VAL HA 44 TRP HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 VAL HA 44 TRP QB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#  43 VAL HA 44 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  43 VAL HB 44 TRP QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 694, 695,
 &end
#
#  43 VAL HB 44 TRP HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 690, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  43 VAL QG 44 TRP QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 680, 681, 682, 684, 685, 686,
 igr2= 694, 695,
 &end
#
#  43 VAL QG 44 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 680, 681, 682, 684, 685, 686,
 &end
#
#  43 VAL QG 44 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 680, 681, 682, 684, 685, 686,
 &end
#
#  43 VAL QG 45 ASP HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 680, 681, 682, 684, 685, 686,
 &end
#
#  43 VAL QG 45 ASP QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 680, 681, 682, 684, 685, 686,
 igr2= 718, 719,
 &end
#
#  43 VAL QG 45 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 680, 681, 682, 684, 685, 686,
 &end
#
#  43 VAL HN 44 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 690, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HA 45 ASP HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  44 TRP HB2 45 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HB3 45 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP QB 46 ARG HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 694, 695,
 &end
#
#  44 TRP HD1 45 ASP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 718, 719,
 &end
#
#  44 TRP HD1 45 ASP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 TRP HD1 46 ARG HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HD1 46 ARG QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 730, 731,
 &end
#
#  44 TRP HD1 46 ARG HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 TRP HE1 45 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HE1 46 ARG HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 728, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  44 TRP HE1 46 ARG QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 730, 731,
 &end
#
#  44 TRP HE1 46 ARG HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HE1 47 LYS HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 752, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HE1 47 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HH2 46 ARG HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HN 45 ASP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 TRP HZ2 46 ARG HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  45 ASP HA 46 ARG HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  45 ASP QB 46 ARG HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 718, 719,
 &end
#
#  45 ASP QB 47 LYS HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 718, 719,
 &end
#
#  45 ASP HN 46 ARG HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  46 ARG HA 47 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  46 ARG QB 47 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#  46 ARG HN 47 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  4 LEU HA 5 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  4 LEU HB2 5 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  74, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  4 LEU HB3 5 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  74, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  4 LEU QD 5 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  64,  65,  66,  68,  69,  70,
 &end
#
#  5 VAL HA 6 GLN HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  92, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  5 VAL HA 6 GLN HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  90, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  5 VAL HB 6 GLN HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  5 VAL QG 6 GLN HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 6 GLN HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 7 SER HB2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 7 SER HB3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 7 SER HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  6 GLN HA 7 SER HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLN HA 7 SER QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 111, 112,
 &end
#
#  6 GLN HA 7 SER HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 107, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  6 GLN QB 7 SER HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  94,  95,
 &end
#
#  6 GLN HN 7 SER HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 SER HA 10 GLY HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  7 SER HA 8 PRO HD2 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  7 SER HA 8 PRO HD3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 120, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  7 SER HA 8 PRO QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 122, 123,
 &end
#
#  7 SER HA 9 ASN HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 SER HB2 9 ASN HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 SER HB3 9 ASN HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 SER QB 10 GLY HA3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 111, 112,
 &end
#
#  7 SER QB 10 GLY HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 111, 112,
 &end
#
#  7 SER QB 11 ASN HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 111, 112,
 &end
#
#  7 SER QB 8 PRO QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 111, 112,
 igr2= 119, 120,
 &end
#
#  7 SER HN 8 PRO HD2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 SER HN 8 PRO HD3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  8 PRO HA 10 GLY HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  8 PRO HA 9 ASN HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 132, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  8 PRO QB 9 ASN HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 125, 126,
 &end
#
#  8 PRO QB 9 ASN QD2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 126,
 igr2= 141, 142,
 &end
#
#  8 PRO QB 9 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 125, 126,
 &end
#
#  8 PRO QD 9 ASN HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#  8 PRO QD 10 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 119, 120,
 &end
#
#  8 PRO QD 9 ASN QD2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 119, 120,
 igr2= 141, 142,
 &end
#
#  8 PRO QG 9 ASN QD2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 122, 123,
 igr2= 141, 142,
 &end
#
#  8 PRO QG 9 ASN HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 122, 123,
 &end
#
#  9 ASN HA 10 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 146, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  9 ASN HA 11 ASN HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  9 ASN QB 10 GLY HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 136, 137,
 &end
#
#  9 ASN QB 11 ASN HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 136, 137,
 &end
#
#  9 ASN HN 10 GLY HA2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLY HA2 37 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 576, 577,
 &end
#
#  10 GLY HA2 37 TRP HE1 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLY HA2 37 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 GLY HA3 37 TRP QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 576, 577,
 &end
#
#  10 GLY HA3 37 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 GLY HA3 37 TRP HE1 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLY HA3 38 VAL HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 596, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLY HA3 44 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 GLY HN 37 TRP QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 576, 577,
 &end
#
#  10 GLY HN 37 TRP HE1 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLY HN 37 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASN QB 44 TRP HZ2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 157, 158,
 &end
#
#  12 PHE HA 41 TYR QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 648, 653,
 &end
#
#  12 PHE HA 41 TYR HH 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 651, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  12 PHE HA 44 TRP HE3 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  12 PHE QB 41 TYR HH 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 171, 172,
 &end
#
#  12 PHE QB 25 PHE QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 171, 172,
 igr2= 379, 387,
 &end
#
#  12 PHE QB 25 PHE QE 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 171, 172,
 igr2= 381, 385,
 &end
#
#  12 PHE QB 41 TYR QD 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 171, 172,
 igr2= 646, 655,
 &end
#
#  12 PHE QB 41 TYR QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 171, 172,
 igr2= 648, 653,
 &end
#
#  12 PHE QD 25 PHE QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 175, 183,
 igr2= 375, 376,
 &end
#
#  12 PHE QD 25 PHE QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 175, 183,
 igr2= 379, 387,
 &end
#
#  12 PHE QD 25 PHE QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 175, 183,
 igr2= 381, 385,
 &end
#
#  12 PHE QD 28 LYS QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 175, 183,
 igr2= 428, 429,
 &end
#
#  12 PHE QD 41 TYR QE 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 175, 183,
 igr2= 648, 653,
 &end
#
#  12 PHE QD 41 TYR HH 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 175, 183,
 &end
#
#  12 PHE HN 41 TYR HH 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  13 ALA QB 41 TYR HH 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 191, 192, 193,
 &end
#
#  13 ALA HN 41 TYR QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 646, 655,
 &end
#
#  13 ALA HN 41 TYR HH 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 ALA HA 24 ILE HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  14 ALA HA 25 PHE HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 ALA HA 25 PHE QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 375, 376,
 &end
#
#  14 ALA HA 25 PHE QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 379, 387,
 &end
#
#  14 ALA HA 25 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 ALA HA 41 TYR QE 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 653,
 &end
#
#  14 ALA HA 41 TYR HH 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 ALA HA 43 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  14 ALA QB 25 PHE QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 201, 202, 203,
 igr2= 375, 376,
 &end
#
#  14 ALA QB 25 PHE QD 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 201, 202, 203,
 igr2= 379, 387,
 &end
#
#  14 ALA QB 25 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 201, 202, 203,
 &end
#
#  14 ALA HN 25 PHE HB2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 ALA HN 25 PHE HB3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 ALA HN 25 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 ALA HN 41 TYR HH 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 SER HA 23 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 332, 333,
 &end
#
#  15 SER HA 23 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 SER HA 24 ILE HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 354, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  15 SER HA 24 ILE HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 356, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 SER HA 24 ILE QG1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 362, 363,
 &end
#
#  15 SER HA 24 ILE QG2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 358, 359, 360,
 &end
#
#  15 SER HA 24 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 SER HA 25 PHE HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  15 SER HA 25 PHE QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 375, 376,
 &end
#
#  15 SER HA 25 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 SER HA 41 TYR QE 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 653,
 &end
#
#  15 SER HA 43 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 SER HB2 24 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 SER HB3 24 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 SER QB 22 LYS QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 211, 212,
 igr2= 319, 320,
 &end
#
#  15 SER QB 22 LYS QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 211, 212,
 igr2= 313, 314,
 &end
#
#  15 SER QB 23 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 211, 212,
 igr2= 332, 333,
 &end
#
#  15 SER QB 23 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 211, 212,
 &end
#
#  15 SER QB 24 ILE QD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 211, 212,
 igr2= 365, 366, 367,
 &end
#
#  15 SER QB 24 ILE QG1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 211, 212,
 igr2= 362, 363,
 &end
#
#  15 SER QB 24 ILE QG2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 211, 212,
 igr2= 358, 359, 360,
 &end
#
#  15 SER QB 24 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 211, 212,
 &end
#
#  15 SER QB 25 PHE QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 211, 212,
 igr2= 375, 376,
 &end
#
#  15 SER QB 25 PHE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 211, 212,
 &end
#
#  15 SER QB 43 VAL QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 211, 212,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  15 SER HN 24 ILE HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 SER HN 25 PHE QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 375, 376,
 &end
#
#  15 SER HN 25 PHE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 SER HN 41 TYR QE 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 653,
 &end
#
#  15 SER HN 41 TYR HH 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 PHE HA 23 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 332, 333,
 &end
#
#  16 PHE QB 23 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 222, 223,
 igr2= 332, 333,
 &end
#
#  16 PHE QB 24 ILE HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 222, 223,
 &end
#
#  16 PHE QB 43 VAL HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 222, 223,
 &end
#
#  16 PHE QB 43 VAL QG1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 222, 223,
 igr2= 680, 681, 682,
 &end
#
#  16 PHE HB3 43 VAL QG2 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 684, 685, 686,
 &end
#
#  16 PHE HB2 43 VAL QG2 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 684, 685, 686,
 &end
#
#  16 PHE QD 23 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 226, 234,
 igr2= 332, 333,
 &end
#
#  16 PHE QD 23 TRP HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 226, 234,
 &end
#
#  16 PHE HN 23 TRP QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
#  16 PHE HN 23 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 PHE HN 23 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 PHE HN 24 ILE HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  16 PHE HN 24 ILE QG2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 358, 359, 360,
 &end
#
#  16 PHE HN 24 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 VAL HA 23 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 332, 333,
 &end
#
#  17 VAL HA 23 TRP HD1 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 VAL HA 23 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 VAL HA 23 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 VAL HB 23 TRP HD1 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  17 VAL QG 23 TRP HD1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  17 VAL QG 23 TRP HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 244, 245, 246, 248, 249, 250,
 &end
#
#  1 ALA QB 23 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   8,   9,  10,
 &end
#
#  1 ALA QB 23 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   8,   9,  10,
 &end
#
#  1 ALA QB 42 GLU HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=   8,   9,  10,
 &end
#
#  23 TRP HA 43 VAL HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 TRP HA 43 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  23 TRP HA 43 VAL HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 TRP HB2 43 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 TRP HB3 43 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 TRP QB 42 GLU HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 332, 333,
 &end
#
#  23 TRP QB 42 GLU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#  23 TRP HD1 43 VAL HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  23 TRP HD1 43 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  23 TRP HE3 42 GLU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 TRP HE3 42 GLU QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 663, 664,
 &end
#
#  23 TRP HE3 42 GLU QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 666, 667,
 &end
#
#  23 TRP HE3 42 GLU HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 TRP HE3 43 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 TRP HE3 43 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  23 TRP HE3 43 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 TRP HH2 42 GLU QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 666, 667,
 &end
#
#  23 TRP HH2 43 VAL HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 676, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 TRP HZ3 42 GLU HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 TRP HZ3 42 GLU QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 663, 664,
 &end
#
#  23 TRP HZ3 42 GLU QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 666, 667,
 &end
#
#  23 TRP HZ3 43 VAL HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 TRP HZ3 43 VAL QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  23 TRP HZ3 43 VAL HN 1.8 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 ILE HA 41 TYR QE 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 653,
 &end
#
#  24 ILE HA 43 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ILE QG2 42 GLU QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 358, 359, 360,
 igr2= 666, 667,
 &end
#
#  24 ILE QG2 42 GLU HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 358, 359, 360,
 &end
#
#  24 ILE HN 42 GLU HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ILE HN 42 GLU QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 663, 664,
 &end
#
#  24 ILE HN 42 GLU HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 659, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  24 ILE HN 43 VAL HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ILE HN 43 VAL HB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 678, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  24 ILE HN 43 VAL QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  24 ILE HN 43 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ILE HN 44 TRP HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 690, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 PHE HA 41 TYR HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 PHE HA 41 TYR QE 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 648, 653,
 &end
#
#  25 PHE HA 41 TYR HH 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE HA 42 GLU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 PHE HA 43 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 680, 681, 682, 684, 685, 686,
 &end
#
#  25 PHE QB 41 TYR HH 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 375, 376,
 &end
#
#  25 PHE QB 41 TYR HA 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 375, 376,
 &end
#
#  25 PHE QB 41 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 375, 376,
 igr2= 646, 655,
 &end
#
#  25 PHE QB 41 TYR QE 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 375, 376,
 igr2= 648, 653,
 &end
#
#  25 PHE QB 44 TRP QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 375, 376,
 igr2= 694, 695,
 &end
#
#  25 PHE QD 41 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 379, 387,
 &end
#
#  25 PHE QD 41 TYR HH 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 379, 387,
 &end
#
#  25 PHE QD 42 GLU HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 387,
 &end
#
#  25 PHE HN 41 TYR HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 PHE HN 41 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 646, 655,
 &end
#
#  25 PHE HN 41 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 648, 653,
 &end
#
#  25 PHE HN 41 TYR HH 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE HN 42 GLU HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 PHE HN 43 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 LYS QB 42 GLU HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 395, 396,
 &end
#
#  26 LYS QB 41 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 395, 396,
 &end
#
#  26 LYS QB 42 GLU QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 395, 396,
 igr2= 663, 664,
 &end
#
#  26 LYS QB 42 GLU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 396,
 &end
#
#  26 LYS HN 40 ILE HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 LYS HN 40 ILE QG2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 625, 626, 627,
 &end
#
#  26 LYS HN 40 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 LYS HN 41 TYR HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 LYS HN 41 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 646, 655,
 &end
#
#  26 LYS HN 42 GLU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 SER HA 40 ILE HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER HB2 40 ILE QG1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 629, 630,
 &end
#
#  27 SER HB3 40 ILE QG1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 629, 630,
 &end
#
#  27 SER QB 40 ILE HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 417, 418,
 &end
#
#  27 SER QB 40 ILE QD1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 417, 418,
 igr2= 632, 633, 634,
 &end
#
#  27 SER QB 40 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 417, 418,
 &end
#
#  27 SER HN 39 GLY QA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 614, 615,
 &end
#
#  27 SER HN 40 ILE HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER HN 40 ILE HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 623, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  27 SER HN 40 ILE QG2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 625, 626, 627,
 &end
#
#  27 SER HN 40 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 SER HN 41 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER HN 41 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 642, 643,
 &end
#
#  27 SER HN 41 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER HN 42 GLU HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 LYS HA 37 TRP QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 576, 577,
 &end
#
#  28 LYS HA 37 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS HA 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS HA 39 GLY QA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 614, 615,
 &end
#
#  28 LYS HA 39 GLY HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS HA 40 ILE QG1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 629, 630,
 &end
#
#  28 LYS HA 40 ILE HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 LYS HA 41 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 646, 655,
 &end
#
#  28 LYS HA 44 TRP HE3 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 LYS HA 44 TRP HZ3 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 LYS QB 37 TRP HE3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 428, 429,
 &end
#
#  28 LYS QB 37 TRP QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 428, 429,
 igr2= 576, 577,
 &end
#
#  28 LYS QB 37 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 428, 429,
 &end
#
#  28 LYS QB 37 TRP HZ3 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#  28 LYS QB 38 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 428, 429,
 &end
#
#  28 LYS QB 39 GLY QA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 428, 429,
 igr2= 614, 615,
 &end
#
#  28 LYS QB 40 ILE HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 428, 429,
 &end
#
#  28 LYS QB 44 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 428, 429,
 &end
#
#  29 TYR HA 37 TRP HE3 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 591, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  29 TYR HA 37 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR HA 37 TRP HZ3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 589, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  29 TYR HA 39 GLY QA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 614, 615,
 &end
#
#  29 TYR QB 37 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 450, 451,
 &end
#
#  29 TYR QB 37 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 450, 451,
 &end
#
#  29 TYR QB 38 VAL HB 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 450, 451,
 &end
#
#  29 TYR QB 38 VAL QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 450, 451,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  29 TYR QD 38 VAL HB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 454, 463,
 &end
#
#  29 TYR QD 38 VAL QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 454, 463,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  29 TYR QD 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 463,
 &end
#
#  29 TYR QE 38 VAL QG 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 456, 461,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  29 TYR QE 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 456, 461,
 &end
#
#  29 TYR QE 39 GLY QA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 456, 461,
 igr2= 614, 615,
 &end
#
#  29 TYR QE 39 GLY HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 456, 461,
 &end
#
#  29 TYR HN 37 TRP HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR HN 37 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 576, 577,
 &end
#
#  29 TYR HN 37 TRP HE3 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 591, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  29 TYR HN 37 TRP HH2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  29 TYR HN 37 TRP HZ3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 TYR HN 38 VAL HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR HN 38 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 TYR HN 38 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 TYR HN 39 GLY HA2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 TYR HN 39 GLY HA3 1.8 4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 615, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  29 TYR HN 40 ILE HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 TYR HN 44 TRP HZ3 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  2 ILE HA 23 TRP HH2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  2 ILE HA 23 TRP HZ3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  2 ILE HA 41 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  2 ILE HB 40 ILE HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  2 ILE HB 41 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  2 ILE QD1 42 GLU QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  27,  28,  29,
 igr2= 666, 667,
 &end
#
# 2 ILE QG1 42 GLU QG 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  24,  25,
 igr2= 666, 667,
 &end
#
#  2 ILE QG2 23 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  20,  21,  22,
 &end
#
#  2 ILE QG2 26 LYS QD 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  20,  21,  22,
 igr2= 401, 402,
 &end
#
#  2 ILE QG2 40 ILE HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  20,  21,  22,
 &end
#
#  2 ILE QG2 41 TYR HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  20,  21,  22,
 &end
#
#  2 ILE QG2 41 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  20,  21,  22,
 igr2= 642, 643,
 &end
#
#  2 ILE QG2 42 GLU QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  20,  21,  22,
 igr2= 663, 664,
 &end
#
#  2 ILE QG2 42 GLU HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  20,  21,  22,
 &end
#
#  2 ILE QG2 43 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  20,  21,  22,
 &end
#
#  2 ILE HN 23 TRP HZ3 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  14, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  30 TYR HA 37 TRP HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 574, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  30 TYR HA 37 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 576, 577,
 &end
#
#  30 TYR HA 37 TRP HE3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 591, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 TYR HA 37 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HA 37 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HA 38 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HA 38 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 TYR HB2 37 TRP HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HB2 37 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HB3 37 TRP HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HB3 37 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR QB 37 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 471, 472,
 &end
#
#  30 TYR QB 37 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 471, 472,
 &end
#
#  30 TYR QB 37 TRP HZ2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 471, 472,
 &end
#
#  30 TYR QB 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 471, 472,
 &end
#
#  30 TYR QD 37 TRP HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 37 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 475, 484,
 igr2= 576, 577,
 &end
#
#  30 TYR QD 37 TRP HD1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 37 TRP HE1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 37 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 37 TRP HH2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 37 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 37 TRP HZ2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 475, 484,
 &end
#
#  30 TYR QD 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 475, 484,
 &end
#
#  30 TYR QE 36 TYR HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 477, 482,
 &end
#
#  30 TYR QE 37 TRP HD1 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 477, 482,
 &end
#
#  30 TYR QE 37 TRP HE1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 482,
 &end
#
#  30 TYR QE 37 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 482,
 &end
#
#  30 TYR HN 37 TRP HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HN 37 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HN 37 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TYR HN 37 TRP HZ3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 TYR HN 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ASP QB 38 VAL HB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 492, 493,
 &end
#
#  31 ASP QB 38 VAL QG 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 492, 493,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  31 ASP QB 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 492, 493,
 &end
#
#  31 ASP HN 37 TRP HA 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 574, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 ASP HN 37 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ASP HN 37 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ASP HN 38 VAL HB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  31 ASP HN 38 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 TRP HA 44 TRP HH2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 TRP QB 44 TRP HH2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 576, 577,
 &end
#
#  37 TRP HN 44 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL HA 44 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL HA 44 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL QG 44 TRP HH2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#  38 VAL QG 44 TRP HZ3 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#  38 VAL HN 44 TRP HH2 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  38 VAL HN 44 TRP HZ3 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  3 LYS HA 41 TYR QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 642, 643,
 &end
#
#  3 LYS QB 41 TYR HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  37,  38,
 &end
#
#  3 LYS QB 41 TYR HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  37,  38,
 &end
#
#  3 LYS QB 43 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  37,  38,
 &end
#
#  3 LYS QD 23 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  43,  44,
 &end
#
#  3 LYS HN 41 TYR HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  4 LEU HA 39 GLY HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  4 LEU HA 40 ILE HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  4 LEU HA 41 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  4 LEU QB 40 ILE HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  59,  60,
 &end
#
#  4 LEU QB 40 ILE QD1 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  59,  60,
 igr2= 632, 633, 634,
 &end
#
#  5 VAL HB 39 GLY HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  5 VAL HB 41 TYR QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 646, 655,
 &end
#
#  5 VAL HB 41 TYR QE 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 653,
 &end
#
#  5 VAL HB 44 TRP HZ3 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 707, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  5 VAL QG 44 TRP HZ3 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 39 GLY HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 41 TYR QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  80,  81,  82,  84,  85,  86,
 igr2= 642, 643,
 &end
#
#  5 VAL QG 41 TYR QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  80,  81,  82,  84,  85,  86,
 igr2= 646, 655,
 &end
#
#  5 VAL QG 41 TYR QE 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  80,  81,  82,  84,  85,  86,
 igr2= 648, 653,
 &end
#
#  5 VAL QG 44 TRP HB2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 44 TRP HB3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 44 TRP HD1 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 44 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG 44 TRP HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL HN 39 GLY QA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 614, 615,
 &end
#
#  6 GLN HA 37 TRP HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLN HA 38 VAL HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  6 GLN HA 38 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLN HA 38 VAL QG 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  6 GLN HA 38 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLN HA 39 GLY HN 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  6 GLN HA 44 TRP HH2 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  6 GLN HA 44 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLN QB 36 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  94,  95,
 igr2= 555, 556,
 &end
#
#  6 GLN QB 36 TYR QD 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  94,  95,
 igr2= 559, 568,
 &end
#
#  6 GLN HB3 36 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 566,
 &end
#
#  6 GLN HB2 36 TYR QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 566,
 &end
#
#  6 GLN QE2 38 VAL HB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 102, 103,
 &end
#
#  6 GLN QE2 38 VAL QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 102, 103,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  6 GLN HN 38 VAL QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  6 GLN HN 39 GLY HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  6 GLN HN 44 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 SER HA 44 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 SER QB 44 TRP HH2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 111, 112,
 &end
#
#  7 SER HN 36 TYR QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 555, 556,
 &end
#
#  7 SER HN 36 TYR QD 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 559, 568,
 &end
#
#  7 SER HN 37 TRP QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 576, 577,
 &end
#
#  7 SER HN 37 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 572, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  7 SER HN 38 VAL HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  7 SER HN 38 VAL HB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  7 SER HN 38 VAL QG 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  7 SER HN 44 TRP HH2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  7 SER HN 44 TRP HZ3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  8 PRO HA 36 TYR HA 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  8 PRO HA 36 TYR QB 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 555, 556,
 &end
#
#  8 PRO HA 36 TYR HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  8 PRO HA 37 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  8 PRO HA 37 TRP HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 572, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  8 PRO QB 36 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 125, 126,
 igr2= 555, 556,
 &end
#
#  8 PRO QD 36 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 119, 120,
 igr2= 555, 556,
 &end
#
#  8 PRO QG 36 TYR QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 122, 123,
 igr2= 555, 556,
 &end
#
#  8 PRO QG 36 TYR QD 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 122, 123,
 igr2= 559, 568,
 &end
#
#  9 ASN HA 37 TRP HE1 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  9 ASN HA 37 TRP HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 572, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  9 ASN QB 37 TRP HD1 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 136, 137,
 &end
#
#  9 ASN QD2 11 ASN QB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 157, 158,
 &end
#
#  15 SER HA 41 TYR HH 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 TRP HA 43 VAL HB 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  2 ILE QG2 23 TRP HE3 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  20,  21,  22,
 &end
#
#  30 TYR QE 35 GLY QA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 477, 482,
 igr2= 546, 547,
 &end
#
#  30 TYR QE 32 SER QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 477, 482,
 igr2= 504, 505,
 &end
#
#  30 TYR QD 32 SER QB 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 475, 484,
 igr2= 504, 505,
 &end
#
#  2 ILE HA 3 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  33, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  2 ILE HB 3 LYS HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  33, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  2 ILE QD1 3 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  27,  28,  29,
 &end
#
#  2 ILE QG1 3 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  24,  25,
 &end
#
#  2 ILE HN 3 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  33, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  3 LYS HA 23 TRP HZ3 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  35, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  3 LYS HA 3 LYS QB 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  37,  38,
 &end
#
#  3 LYS HA 3 LYS HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  3 LYS QB 23 TRP HH2 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  37,  38,
 &end
#
#  3 LYS QB 23 TRP HZ3 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  37,  38,
 &end
#
#  3 LYS QB 3 LYS QE 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  37,  38,
 igr2=  46,  47,
 &end
#
#  3 LYS QB 3 LYS HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  37,  38,
 &end
#
#  3 LYS QB 41 TYR QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  37,  38,
 igr2= 642, 643,
 &end
#
#  3 LYS QD 23 TRP HH2 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  43,  44,
 &end
#
#  3 LYS QD 3 LYS QE 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  43,  44,
 igr2=  46,  47,
 &end
#
#  3 LYS QE 3 LYS QZ 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  46,  47,
 igr2=  49,  50,  51,
 &end
#
#  3 LYS HN 23 TRP HZ3 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  3 LYS HN 41 TYR HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  3 LYS HN 43 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  3 LYS HN 4 LEU HA 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  57, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  3 LYS HN 4 LEU HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  55, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  4 LEU HA 40 ILE HN 1.8 6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 619, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  4 LEU HA 4 LEU HB3 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  60, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  4 LEU HA 4 LEU HB2 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  4 LEU HA 4 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  55, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  4 LEU HA 5 VAL QG 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  80,  81,  82,  84,  85,  86,
 &end
#
#  4 LEU HA 5 VAL HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  74, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  4 LEU QB 4 LEU QD 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  59,  60,
 igr2=  64,  65,  66,  68,  69,  70,
 &end
#
#  4 LEU QB 4 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  59,  60,
 &end
#
#  4 LEU QB 5 VAL HN 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  59,  60,
 &end
#
#  4 LEU HG 4 LEU HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  55, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  4 LEU HG 5 VAL HN 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  4 LEU HN 5 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  74, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  5 VAL HA 5 VAL HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  74, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  5 VAL HB 5 VAL HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  74, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  5 VAL QG 5 VAL HN 1.8 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  80,  81,  82,  84,  85,  86,
 &end
#
#  5 VAL QG2 5 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  84,  85,  86,
 &end
#
#  5 VAL QG1 5 VAL HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  80,  81,  82,
 &end
#
#  5 VAL HN 38 VAL HA 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  5 VAL HN 38 VAL QG 1.8 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#  5 VAL HN 39 GLY HN 1.8 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  5 VAL HN 40 ILE HA 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  5 VAL HN 41 TYR QD 1.8 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 646, 655,
 &end
#
#  5 VAL HN 6 GLN HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 TRP HE3 3 LYS HN 1.8 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  33, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  3 LYS HN 41 TYR QB 1.8 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 642, 643,
 &end
#
# 12 PHE H 28 LYS QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
  igr2= 434, 435,
 &end
#
# 9 ASN QD2 11 ASN QB 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 141, 142,
 igr2= 157, 158,
 &end
#
# 13 ALA PHI:  (12 PHE C)-(13 ALA N)-(13 ALA CA)-(13 ALA C) -90.0 -40.0
 &rst     iat =   184,   186,   188,   194,
	  r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 18 LEU PHI:  (17 VAL C)-(18 LEU N)-(18 LEU CA)-(18 LEU C) -160.0 -80.0
 &rst     iat =   251,   253,   255,   270,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 21 THR PHI:  (20 GLY C)-(21 THR N)-(21 THR CA)-(21 THR C) -169.0 -109.0
 &rst     iat =   289,   291,   293,   303,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 23 TRP PHI:  (22 LYS C)-(23 TRP N)-(23 TRP CA)-(23 TRP C) -160.0 -80.0
 &rst     iat =   325,   327,   329,   349,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 26 LYS PHI:  (25 PHE C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -160.0 -80.0
 &rst     iat =   388,   390,   392,   410,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 30 TYR PHI:  (29 TYR C)-(30 TYR N)-(30 TYR CA)-(30 TYR C) -160.0 -80.0
 &rst     iat =   464,   466,   468,   485,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 31 ASP PHI:  (30 TYR C)-(31 ASP N)-(31 ASP CA)-(31 ASP C) -160.0 -80.0
 &rst     iat =   485,   487,   489,   497,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 32 SER PHI:  (31 ASP C)-(32 SER N)-(32 SER CA)-(32 SER C) -90.0 -40.0
 &rst     iat =   497,   499,   501,   508,
	  r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
	&end

# 37 TRP PHI:  (36 TYR C)-(37 TRP N)-(37 TRP CA)-(37 TRP C) -160.0 -80.0
 &rst     iat =   569,   571,   573,   593,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 38 VAL PHI:  (37 TRP C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -160.0 -80.0
 &rst     iat =   593,   595,   597,   609,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 41 TYR PHI:  (40 ILE C)-(41 TYR N)-(41 TYR CA)-(41 TYR C) -160.0 -80.0
 &rst     iat =   635,   637,   639,   656,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 42 GLU PHI:  (41 TYR C)-(42 GLU N)-(42 GLU CA)-(42 GLU C) -160.0 -80.0
 &rst     iat =   656,   658,   660,   671,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 3 LYS PHI:  (2 ILE C)-(3 LYS N)-(3 LYS CA)-(3 LYS C) -160.0 -80.0
 &rst     iat =    30,    32,    34,    52,
          r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
          &end

# 18 LEU PSI:  (18 LEU N)-(18 LEU CA)-(18 LEU C)-(19 ASP N) 105.0 165.0
 &rst     iat =   253,   255,   270,   272,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 19 ASP PHI:  (18 LEU C)-(19 ASP N)-(19 ASP CA)-(19 ASP C)  20.0 100.0
 &rst     iat =   270,   272,   274,   282,
	  r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
	&end

# 19 ASP PSI:  (19 ASP N)-(19 ASP CA)-(19 ASP C)-(20 GLY N) -20.0 120.0
 &rst     iat =   272,   274,   282,   284,
	  r1 = -21.0, r2 = -20.0, r3 = 120.0, r4 = 121.0,
	&end
#
# 20 GLY PSI:  (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 THR N) -20.0 120.0
 &rst     iat =   284,   286,   289,   291,
	  r1 = -21.0, r2 = -20.0, r3 = 120.0, r4 = 121.0,
	&end

# 20 GLY PHI:  (19 ASP C)-(20 GLY N)-(20 GLY CA)-(20 GLY C)  20.0 120.0
 &rst     iat =   282,   284,   286,   289,
	  r1 =  19.0, r2 =  20.0, r3 = 120.0, r4 = 121.0,
	&end

# 21 THR PSI:  (21 THR N)-(21 THR CA)-(21 THR C)-(22 LYS N) 105.0 165.0
 &rst     iat =   291,   293,   303,   305,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end
#
# 16 PHE O 23 TRP HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 328, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 16 PHE HN 23 TRP O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 350, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 16 PHE O 23 TRP N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 327, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 16 PHE N 23 TRP O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 350, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 5 VAL O 39 GLY HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 612, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 39 GLY O 5 VAL HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  74, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 5 VAL O 39 GLY N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 611, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 39 GLY O 5 VAL N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  73, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 7 SER O 37 TRP HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 572, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 37 TRP O 7 SER HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 107, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 37 TRP O 7 SER N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 106, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 7 SER O 37 TRP N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 571, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 27 SER O 40 ILE HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 619, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 40 ILE O 27 SER HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 413, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 27 SER O 40 ILE N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 618, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 40 ILE O 27 SER N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 412, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 29 TYR O 38 VAL HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 596, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 38 VAL O 29 TYR HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 446, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 38 VAL O 29 TYR N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 445, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 29 TYR O 38 VAL N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 595, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 14 ALA O 25 PHE HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 371, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 14 ALA O 25 PHE N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 370, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 21 THR O 18 LEU HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 254, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 21 THR O 18 LEU N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 253, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 3 LYS HN 41 TYR O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 657, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 3 LYS N 41 TYR O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=  32, 657, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 3 LYS O 41 TYR HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 638, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 3 LYS O 41 TYR N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 637, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 31 ASP HN 36 TYR O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 570, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 31 ASP N 36 TYR O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 570, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 36 TYR HN 31 ASP O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 498, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 36 TYR N 31 ASP O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 498, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 25 PHE HN 14 ALA O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 205, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 25 PHE N 14 ALA O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 205, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 24 ILE HN 42 GLU O 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 672, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 24 ILE N 42 GLU O 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 672, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 24 ILE O 42 GLU HN 1.8 2.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 659, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 24 ILE O 42 GLU N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 658, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          H1        ALA   1  -6.855  -3.103   1.905
    2   2H    ALA   1          H2        ALA   1  -7.893  -4.369   1.785
    3   3H    ALA   1          H3        ALA   1  -7.425  -3.826   3.270
    4    HA   ALA   1           HA       ALA   1  -5.151  -4.422   2.809
    5   1HB   ALA   1          1HB       ALA   1  -7.087  -6.761   2.472
    6   2HB   ALA   1          2HB       ALA   1  -5.381  -6.870   2.943
    7   3HB   ALA   1          3HB       ALA   1  -6.537  -6.069   4.016
    8    H    ILE   2           H        ILE   2  -3.582  -4.960   1.336
    9    HA   ILE   2           HA       ILE   2  -4.097  -4.657  -1.441
   10    HB   ILE   2           HB       ILE   2  -1.728  -5.470  -1.708
   11   1HG1  ILE   2          12HG      ILE   2  -1.595  -5.512   1.334
   12   2HG1  ILE   2          13HG      ILE   2  -1.808  -6.976   0.371
   13   1HG2  ILE   2          21HG      ILE   2  -0.729  -3.469  -0.680
   14   2HG2  ILE   2          22HG      ILE   2  -2.261  -3.110  -1.459
   15   3HG2  ILE   2          23HG      ILE   2  -2.182  -3.234   0.312
   16   1HD1  ILE   2          11HD      ILE   2   0.579  -5.097   0.168
   17   2HD1  ILE   2          12HD      ILE   2   0.532  -6.676   0.968
   18   3HD1  ILE   2          13HD      ILE   2   0.316  -6.578  -0.788
   19    H    LYS   3           H        LYS   3  -3.464  -6.166  -3.104
   20    HA   LYS   3           HA       LYS   3  -3.829  -9.062  -2.607
   21   1HB   LYS   3          2HB       LYS   3  -5.045  -7.355  -4.843
   22   2HB   LYS   3          3HB       LYS   3  -4.855  -9.105  -4.956
   23   1HG   LYS   3          2HG       LYS   3  -6.280  -9.432  -2.976
   24   2HG   LYS   3          3HG       LYS   3  -6.515  -7.678  -2.835
   25   1HD   LYS   3          2HD       LYS   3  -7.648  -7.581  -4.979
   26   2HD   LYS   3          3HD       LYS   3  -7.250  -9.277  -5.329
   27   1HE   LYS   3          2HE       LYS   3  -8.611 -10.042  -3.448
   28   2HE   LYS   3          3HE       LYS   3  -8.979  -8.377  -2.982
   29   1HZ   LYS   3          1HZ       LYS   3 -10.229  -8.101  -4.975
   30   2HZ   LYS   3          2HZ       LYS   3  -9.740  -9.528  -5.615
   31   3HZ   LYS   3          3HZ       LYS   3 -10.733  -9.500  -4.307
   32    H    LEU   4           H        LEU   4  -2.744 -10.259  -4.388
   33    HA   LEU   4           HA       LEU   4  -0.473  -8.795  -5.655
   34   1HB   LEU   4          2HB       LEU   4  -0.532 -11.668  -4.622
   35   2HB   LEU   4          3HB       LEU   4   0.793 -10.915  -5.506
   36    HG   LEU   4           HG       LEU   4  -0.183 -10.104  -2.727
   37   1HD1  LEU   4          11HD      LEU   4   0.977 -12.278  -2.767
   38   2HD1  LEU   4          12HD      LEU   4   2.360 -11.537  -3.603
   39   3HD1  LEU   4          13HD      LEU   4   1.945 -11.045  -1.945
   40   1HD2  LEU   4          21HD      LEU   4   0.729  -8.147  -3.869
   41   2HD2  LEU   4          22HD      LEU   4   1.883  -8.707  -2.659
   42   3HD2  LEU   4          23HD      LEU   4   2.160  -9.072  -4.379
   43    H    VAL   5           H        VAL   5  -0.387  -9.137  -7.872
   44    HA   VAL   5           HA       VAL   5  -2.499 -10.890  -9.038
   45    HB   VAL   5           HB       VAL   5  -2.108  -7.972  -9.805
   46   1HG1  VAL   5          11HG      VAL   5  -3.254  -9.351 -11.485
   47   2HG1  VAL   5          12HG      VAL   5  -4.378  -9.973 -10.248
   48   3HG1  VAL   5          13HG      VAL   5  -4.413  -8.266 -10.729
   49   1HG2  VAL   5          21HG      VAL   5  -2.871  -7.852  -7.483
   50   2HG2  VAL   5          22HG      VAL   5  -4.182  -7.415  -8.565
   51   3HG2  VAL   5          23HG      VAL   5  -4.168  -9.028  -7.820
   52    H    GLN   6           H        GLN   6  -2.097 -11.515 -11.210
   53    HA   GLN   6           HA       GLN   6   0.411 -10.698 -12.518
   54   1HB   GLN   6          2HB       GLN   6  -0.336 -13.623 -12.056
   55   2HB   GLN   6          3HB       GLN   6   1.098 -13.004 -12.878
   56   1HG   GLN   6          2HG       GLN   6   1.856 -12.033 -10.694
   57   2HG   GLN   6          3HG       GLN   6   0.481 -12.789  -9.895
   58   1HE2  GLN   6          22HE      GLN   6   3.615 -13.216  -9.905
   59   2HE2  GLN   6          21HE      GLN   6   3.749 -14.951 -10.025
   60    H    SER   7           H        SER   7  -0.158 -10.360 -14.697
   61    HA   SER   7           HA       SER   7  -1.631 -12.270 -16.171
   62   1HB   SER   7          2HB       SER   7  -3.161  -9.790 -15.326
   63   2HB   SER   7          3HB       SER   7  -3.450 -10.490 -16.929
   64    HG   SER   7           HG       SER   7  -3.422 -12.037 -14.585
   65    HA   PRO   8           HA       PRO   8   0.804 -10.271 -19.176
   66   1HB   PRO   8          2HB       PRO   8  -0.378 -10.904 -21.577
   67   2HB   PRO   8          3HB       PRO   8   0.471 -12.086 -20.537
   68   1HG   PRO   8          2HG       PRO   8  -2.509 -11.538 -20.681
   69   2HG   PRO   8          3HG       PRO   8  -1.670 -13.123 -20.722
   70   1HD   PRO   8          2HD       PRO   8  -2.740 -12.143 -18.428
   71   2HD   PRO   8          3HD       PRO   8  -1.186 -13.029 -18.411
   72    H    ASN   9           H        ASN   9  -2.621  -9.304 -19.128
   73    HA   ASN   9           HA       ASN   9  -2.226  -7.185 -21.037
   74   1HB   ASN   9          2HB       ASN   9  -4.468  -6.565 -20.715
   75   2HB   ASN   9          3HB       ASN   9  -4.390  -8.315 -20.750
   76   1HD2  ASN   9          22HD      ASN   9  -6.626  -8.036 -19.829
   77   2HD2  ASN   9          21HD      ASN   9  -6.816  -7.853 -18.102
   78    H    GLY  10           H        GLY  10  -1.585  -7.336 -17.628
   79   1HA   GLY  10          2HA       GLY  10  -0.943  -5.784 -16.089
   80   2HA   GLY  10          3HA       GLY  10  -0.252  -4.905 -17.463
   81    H    ASN  11           H        ASN  11  -3.726  -5.455 -17.034
   82    HA   ASN  11           HA       ASN  11  -4.501  -2.915 -17.780
   83   1HB   ASN  11          2HB       ASN  11  -6.025  -4.768 -17.822
   84   2HB   ASN  11          3HB       ASN  11  -5.865  -5.008 -16.082
   85   1HD2  ASN  11          22HD      ASN  11  -8.128  -4.872 -15.791
   86   2HD2  ASN  11          21HD      ASN  11  -8.974  -3.324 -15.869
   87    H    PHE  12           H        PHE  12  -3.822  -1.050 -16.864
   88    HA   PHE  12           HA       PHE  12  -3.412  -0.722 -14.023
   89   1HB   PHE  12          2HB       PHE  12  -2.007   0.455 -15.601
   90   2HB   PHE  12          3HB       PHE  12  -3.396   1.218 -16.359
   91    HD1  PHE  12           HD1      PHE  12  -4.109   3.356 -15.630
   92    HD2  PHE  12           HD2      PHE  12  -1.572   0.986 -13.064
   93    HE1  PHE  12           HE1      PHE  12  -3.857   5.283 -14.092
   94    HE2  PHE  12           HE2      PHE  12  -1.344   2.914 -11.520
   95    HZ   PHE  12           HZ       PHE  12  -2.486   5.065 -12.027
   96    H    ALA  13           H        ALA  13  -5.216  -0.837 -12.770
   97    HA   ALA  13           HA       ALA  13  -7.792   0.147 -13.693
   98   1HB   ALA  13          1HB       ALA  13  -8.594  -0.796 -11.552
   99   2HB   ALA  13          2HB       ALA  13  -7.588  -1.950 -12.448
  100   3HB   ALA  13          3HB       ALA  13  -6.912  -1.080 -11.052
  101    H    ALA  14           H        ALA  14  -5.234   1.723 -12.128
  102    HA   ALA  14           HA       ALA  14  -4.869   3.497 -10.871
  103   1HB   ALA  14          1HB       ALA  14  -7.493   4.561 -11.968
  104   2HB   ALA  14          2HB       ALA  14  -6.177   5.501 -11.239
  105   3HB   ALA  14          3HB       ALA  14  -5.914   4.645 -12.770
  106    H    SER  15           H        SER  15  -8.459   3.296 -10.337
  107    HA   SER  15           HA       SER  15  -8.202   2.604  -7.575
  108   1HB   SER  15          2HB       SER  15  -9.172   4.837  -6.746
  109   2HB   SER  15          3HB       SER  15  -7.453   4.809  -7.145
  110    HG   SER  15           HG       SER  15  -8.505   6.649  -8.002
  111    H    PHE  16           H        PHE  16 -10.371   2.673  -6.473
  112    HA   PHE  16           HA       PHE  16 -12.760   2.907  -8.098
  113   1HB   PHE  16          2HB       PHE  16 -11.710   0.683  -8.798
  114   2HB   PHE  16          3HB       PHE  16 -11.879   0.155  -7.130
  115    HD1  PHE  16           HD1      PHE  16 -14.139   1.851  -9.662
  116    HD2  PHE  16           HD2      PHE  16 -13.556  -1.459  -6.947
  117    HE1  PHE  16           HE1      PHE  16 -16.371   0.959 -10.262
  118    HE2  PHE  16           HE2      PHE  16 -15.779  -2.359  -7.582
  119    HZ   PHE  16           HZ       PHE  16 -17.195  -1.150  -9.228
  120    H    VAL  17           H        VAL  17 -14.657   1.901  -6.655
  121    HA   VAL  17           HA       VAL  17 -14.093   2.027  -3.771
  122    HB   VAL  17           HB       VAL  17 -16.281   3.638  -5.150
  123   1HG1  VAL  17          11HG      VAL  17 -16.902   4.389  -2.875
  124   2HG1  VAL  17          12HG      VAL  17 -17.120   2.647  -3.043
  125   3HG1  VAL  17          13HG      VAL  17 -15.707   3.281  -2.172
  126   1HG2  VAL  17          21HG      VAL  17 -13.886   4.539  -3.486
  127   2HG2  VAL  17          22HG      VAL  17 -14.118   4.816  -5.225
  128   3HG2  VAL  17          23HG      VAL  17 -15.192   5.596  -4.064
  129    H    LEU  18           H        LEU  18 -15.144   0.345  -2.784
  130    HA   LEU  18           HA       LEU  18 -17.409  -1.038  -4.021
  131   1HB   LEU  18          2HB       LEU  18 -15.524  -2.093  -5.203
  132   2HB   LEU  18          3HB       LEU  18 -14.657  -2.317  -3.697
  133    HG   LEU  18           HG       LEU  18 -16.436  -3.911  -2.919
  134   1HD1  LEU  18          11HD      LEU  18 -17.434  -3.661  -5.797
  135   2HD1  LEU  18          12HD      LEU  18 -17.970  -4.869  -4.608
  136   3HD1  LEU  18          13HD      LEU  18 -18.326  -3.160  -4.345
  137   1HD2  LEU  18          21HD      LEU  18 -15.050  -4.605  -5.540
  138   2HD2  LEU  18          22HD      LEU  18 -15.680  -5.760  -4.344
  139   3HD2  LEU  18          23HD      LEU  18 -14.335  -4.694  -3.915
  140    H    ASP  19           H        ASP  19 -18.599  -1.945  -2.406
  141    HA   ASP  19           HA       ASP  19 -19.447  -2.157  -0.351
  142   1HB   ASP  19          2HB       ASP  19 -18.294  -4.284  -0.711
  143   2HB   ASP  19          3HB       ASP  19 -16.860  -3.661   0.110
  144    H    GLY  20           H        GLY  20 -18.713   0.335  -0.498
  145   1HA   GLY  20          2HA       GLY  20 -18.382   2.203   0.753
  146   2HA   GLY  20          3HA       GLY  20 -18.577   1.169   2.177
  147    H    THR  21           H        THR  21 -15.937   0.516  -0.061
  148    HA   THR  21           HA       THR  21 -13.936   1.717   1.786
  149    HB   THR  21           HB       THR  21 -13.872  -1.036   0.459
  150    HG1  THR  21           1HG      THR  21 -15.409  -1.014   2.077
  151   1HG2  THR  21          21HG      THR  21 -11.620  -0.206   0.876
  152   2HG2  THR  21          22HG      THR  21 -12.045   0.221   2.551
  153   3HG2  THR  21          23HG      THR  21 -12.002  -1.481   2.033
  154    H    LYS  22           H        LYS  22 -12.057   2.486   0.680
  155    HA   LYS  22           HA       LYS  22 -12.433   2.899  -2.241
  156   1HB   LYS  22          2HB       LYS  22 -12.127   4.875  -0.724
  157   2HB   LYS  22          3HB       LYS  22 -10.509   4.278  -0.317
  158   1HG   LYS  22          2HG       LYS  22  -9.800   4.511  -2.661
  159   2HG   LYS  22          3HG       LYS  22 -11.453   4.931  -3.149
  160   1HD   LYS  22          2HD       LYS  22 -11.330   6.976  -1.731
  161   2HD   LYS  22          3HD       LYS  22  -9.659   6.553  -1.291
  162   1HE   LYS  22          2HE       LYS  22  -9.013   6.638  -3.692
  163   2HE   LYS  22          3HE       LYS  22 -10.677   7.045  -4.130
  164   1HZ   LYS  22          1HZ       LYS  22 -10.440   9.099  -2.855
  165   2HZ   LYS  22          2HZ       LYS  22  -8.897   8.727  -2.459
  166   3HZ   LYS  22          3HZ       LYS  22  -9.298   9.016  -4.012
  167    H    TRP  23           H        TRP  23 -10.704   2.471  -3.666
  168    HA   TRP  23           HA       TRP  23  -8.699   0.454  -2.797
  169   1HB   TRP  23          2HB       TRP  23 -10.791   0.311  -5.018
  170   2HB   TRP  23          3HB       TRP  23  -9.547  -0.875  -4.778
  171    HD1  TRP  23           HD1      TRP  23 -12.804   0.315  -3.307
  172    HE1  TRP  23           HE1      TRP  23 -13.771  -1.388  -1.675
  173    HE3  TRP  23           HE3      TRP  23  -8.888  -2.971  -3.215
  174    HZ2  TRP  23           HZ2      TRP  23 -12.939  -3.906  -0.485
  175    HZ3  TRP  23           HZ3      TRP  23  -9.004  -5.023  -1.841
  176    HH2  TRP  23           HH2      TRP  23 -11.026  -5.506  -0.474
  177    H    ILE  24           H        ILE  24  -6.753   0.597  -4.120
  178    HA   ILE  24           HA       ILE  24  -6.553   2.661  -6.169
  179    HB   ILE  24           HB       ILE  24  -6.710   3.958  -4.098
  180   1HG1  ILE  24          12HG      ILE  24  -3.877   4.194  -5.157
  181   2HG1  ILE  24          13HG      ILE  24  -5.304   4.683  -6.079
  182   1HG2  ILE  24          21HG      ILE  24  -4.141   2.591  -3.193
  183   2HG2  ILE  24          22HG      ILE  24  -4.994   3.899  -2.352
  184   3HG2  ILE  24          23HG      ILE  24  -5.751   2.318  -2.498
  185   1HD1  ILE  24          11HD      ILE  24  -4.425   5.838  -3.401
  186   2HD1  ILE  24          12HD      ILE  24  -4.345   6.617  -4.989
  187   3HD1  ILE  24          13HD      ILE  24  -5.926   6.268  -4.261
  188    H    PHE  25           H        PHE  25  -4.471   2.790  -7.149
  189    HA   PHE  25           HA       PHE  25  -2.911   0.490  -7.510
  190   1HB   PHE  25          2HB       PHE  25  -2.995   2.344  -9.080
  191   2HB   PHE  25          3HB       PHE  25  -2.370   3.458  -7.876
  192    HD1  PHE  25           HD1      PHE  25  -0.059   3.964  -7.847
  193    HD2  PHE  25           HD2      PHE  25  -1.400   0.321  -9.715
  194    HE1  PHE  25           HE1      PHE  25   2.240   3.526  -8.663
  195    HE2  PHE  25           HE2      PHE  25   0.889  -0.122 -10.516
  196    HZ   PHE  25           HZ       PHE  25   2.723   1.492 -10.011
  197    H    LYS  26           H        LYS  26  -0.679   0.046  -6.954
  198    HA   LYS  26           HA       LYS  26   0.512   1.603  -4.795
  199   1HB   LYS  26          2HB       LYS  26  -0.814  -0.324  -3.750
  200   2HB   LYS  26          3HB       LYS  26   0.386  -1.407  -4.419
  201   1HG   LYS  26          2HG       LYS  26   0.946   0.864  -2.471
  202   2HG   LYS  26          3HG       LYS  26   0.728  -0.836  -2.046
  203   1HD   LYS  26          2HD       LYS  26   2.712  -1.388  -3.530
  204   2HD   LYS  26          3HD       LYS  26   2.997   0.366  -3.666
  205   1HE   LYS  26          2HE       LYS  26   3.144   0.513  -1.182
  206   2HE   LYS  26          3HE       LYS  26   2.937  -1.241  -1.081
  207   1HZ   LYS  26          1HZ       LYS  26   4.995  -1.473  -2.374
  208   2HZ   LYS  26          2HZ       LYS  26   5.189   0.148  -2.417
  209   3HZ   LYS  26          3HZ       LYS  26   5.265  -0.643  -0.994
  210    H    SER  27           H        SER  27   1.181  -1.506  -6.670
  211    HA   SER  27           HA       SER  27   3.411  -0.130  -8.043
  212   1HB   SER  27          2HB       SER  27   3.778  -2.667  -6.381
  213   2HB   SER  27          3HB       SER  27   5.017  -1.860  -7.345
  214    HG   SER  27           HG       SER  27   4.889  -0.089  -5.921
  215    H    LYS  28           H        LYS  28   3.984  -1.188 -10.038
  216    HA   LYS  28           HA       LYS  28   3.315  -3.969 -10.333
  217   1HB   LYS  28          2HB       LYS  28   2.125  -3.935 -12.375
  218   2HB   LYS  28          3HB       LYS  28   1.223  -2.951 -11.233
  219   1HG   LYS  28          2HG       LYS  28   1.987  -0.890 -12.336
  220   2HG   LYS  28          3HG       LYS  28   3.078  -1.812 -13.374
  221   1HD   LYS  28          2HD       LYS  28   1.147  -3.015 -14.359
  222   2HD   LYS  28          3HD       LYS  28   0.036  -2.026 -13.397
  223   1HE   LYS  28          2HE       LYS  28   0.503  -0.073 -14.595
  224   2HE   LYS  28          3HE       LYS  28   2.106  -0.624 -15.086
  225   1HZ   LYS  28          1HZ       LYS  28   1.150  -2.074 -16.680
  226   2HZ   LYS  28          2HZ       LYS  28  -0.388  -1.802 -16.189
  227   3HZ   LYS  28          3HZ       LYS  28   0.477  -0.610 -16.913
  228    H    TYR  29           H        TYR  29   4.441  -4.943 -12.199
  229    HA   TYR  29           HA       TYR  29   6.407  -3.351 -13.643
  230   1HB   TYR  29          2HB       TYR  29   8.337  -4.585 -12.883
  231   2HB   TYR  29          3HB       TYR  29   7.589  -3.812 -11.506
  232    HD1  TYR  29           HD1      TYR  29   8.681  -6.956 -12.953
  233    HD2  TYR  29           HD2      TYR  29   6.196  -5.230  -9.875
  234    HE1  TYR  29           HE1      TYR  29   8.700  -9.108 -11.735
  235    HE2  TYR  29           HE2      TYR  29   6.204  -7.378  -8.653
  236    HH   TYR  29           HH       TYR  29   7.007  -9.574  -8.601
  237    H    TYR  30           H        TYR  30   7.520  -4.804 -15.285
  238    HA   TYR  30           HA       TYR  30   5.711  -7.004 -16.138
  239   1HB   TYR  30          2HB       TYR  30   6.287  -5.177 -17.750
  240   2HB   TYR  30          3HB       TYR  30   7.974  -5.674 -17.660
  241    HD1  TYR  30           HD1      TYR  30   8.754  -7.457 -19.080
  242    HD2  TYR  30           HD2      TYR  30   4.525  -6.909 -18.454
  243    HE1  TYR  30           HE1      TYR  30   8.284  -9.065 -20.899
  244    HE2  TYR  30           HE2      TYR  30   4.036  -8.520 -20.272
  245    HH   TYR  30           HH       TYR  30   6.633 -10.087 -22.202
  246    H    ASP  31           H        ASP  31   6.340  -9.059 -15.740
  247    HA   ASP  31           HA       ASP  31   9.035  -9.528 -14.588
  248   1HB   ASP  31          2HB       ASP  31   7.126 -10.263 -13.239
  249   2HB   ASP  31          3HB       ASP  31   6.545 -11.261 -14.575
  250    H    SER  32           H        SER  32  10.051  -9.287 -16.674
  251    HA   SER  32           HA       SER  32   9.415 -10.527 -19.017
  252   1HB   SER  32          2HB       SER  32  12.250 -10.111 -18.010
  253   2HB   SER  32          3HB       SER  32  11.671 -10.038 -19.685
  254    HG   SER  32           HG       SER  32  11.944  -7.956 -18.750
  255    H    SER  33           H        SER  33  10.898 -12.127 -16.212
  256    HA   SER  33           HA       SER  33  11.923 -14.432 -17.501
  257   1HB   SER  33          2HB       SER  33  10.739 -14.204 -14.708
  258   2HB   SER  33          3HB       SER  33  11.954 -15.365 -15.267
  259    HG   SER  33           HG       SER  33  12.841 -13.562 -14.108
  260    H    LYS  34           H        LYS  34   8.615 -13.474 -16.883
  261    HA   LYS  34           HA       LYS  34   7.623 -16.197 -17.641
  262   1HB   LYS  34          2HB       LYS  34   6.535 -14.174 -15.651
  263   2HB   LYS  34          3HB       LYS  34   5.616 -15.573 -16.199
  264   1HG   LYS  34          2HG       LYS  34   8.332 -15.829 -14.835
  265   2HG   LYS  34          3HG       LYS  34   6.809 -15.777 -13.952
  266   1HD   LYS  34          2HD       LYS  34   6.002 -17.780 -14.986
  267   2HD   LYS  34          3HD       LYS  34   7.363 -17.850 -16.113
  268   1HE   LYS  34          2HE       LYS  34   8.796 -18.714 -14.596
  269   2HE   LYS  34          3HE       LYS  34   8.233 -17.668 -13.303
  270   1HZ   LYS  34          1HZ       LYS  34   7.767 -19.998 -12.858
  271   2HZ   LYS  34          2HZ       LYS  34   6.381 -19.150 -12.938
  272   3HZ   LYS  34          3HZ       LYS  34   6.824 -20.115 -14.183
  273    H    GLY  35           H        GLY  35   7.570 -12.758 -18.287
  274   1HA   GLY  35          2HA       GLY  35   6.840 -11.735 -20.192
  275   2HA   GLY  35          3HA       GLY  35   6.208 -13.275 -20.797
  276    H    TYR  36           H        TYR  36   5.424 -11.525 -17.729
  277    HA   TYR  36           HA       TYR  36   2.907 -10.604 -18.811
  278   1HB   TYR  36          2HB       TYR  36   1.548 -11.528 -16.936
  279   2HB   TYR  36          3HB       TYR  36   2.041 -12.666 -18.160
  280    HD1  TYR  36           HD1      TYR  36   1.379 -14.508 -16.798
  281    HD2  TYR  36           HD2      TYR  36   4.398 -11.786 -15.345
  282    HE1  TYR  36           HE1      TYR  36   1.961 -16.103 -15.010
  283    HE2  TYR  36           HE2      TYR  36   4.981 -13.369 -13.569
  284    HH   TYR  36           HH       TYR  36   3.333 -16.535 -13.169
  285    H    TRP  37           H        TRP  37   1.739  -9.214 -17.057
  286    HA   TRP  37           HA       TRP  37   3.782  -7.633 -15.620
  287   1HB   TRP  37          2HB       TRP  37   0.808  -7.268 -16.080
  288   2HB   TRP  37          3HB       TRP  37   1.744  -6.284 -14.972
  289    HD1  TRP  37           HD1      TRP  37   1.423  -6.974 -18.735
  290    HE1  TRP  37           HE1      TRP  37   2.377  -5.007 -20.045
  291    HE3  TRP  37           HE3      TRP  37   3.351  -4.301 -14.830
  292    HZ2  TRP  37           HZ2      TRP  37   3.843  -2.559 -19.469
  293    HZ3  TRP  37           HZ3      TRP  37   4.548  -2.160 -15.239
  294    HH2  TRP  37           HH2      TRP  37   4.793  -1.283 -17.549
  295    H    VAL  38           H        VAL  38   3.660  -7.377 -13.390
  296    HA   VAL  38           HA       VAL  38   1.963  -9.183 -11.796
  297    HB   VAL  38           HB       VAL  38   4.996  -8.879 -11.554
  298   1HG1  VAL  38          11HG      VAL  38   3.014 -10.358  -9.769
  299   2HG1  VAL  38          12HG      VAL  38   4.774 -10.611  -9.727
  300   3HG1  VAL  38          13HG      VAL  38   4.103  -9.036  -9.317
  301   1HG2  VAL  38          21HG      VAL  38   3.306 -11.290 -12.333
  302   2HG2  VAL  38          22HG      VAL  38   4.496 -10.441 -13.330
  303   3HG2  VAL  38          23HG      VAL  38   5.038 -11.357 -11.929
  304    H    GLY  39           H        GLY  39   1.555  -8.171  -9.660
  305   1HA   GLY  39          2HA       GLY  39   2.927  -5.691  -9.036
  306   2HA   GLY  39          3HA       GLY  39   1.266  -5.430  -9.591
  307    H    ILE  40           H        ILE  40   1.812  -4.514  -7.297
  308    HA   ILE  40           HA       ILE  40   0.565  -6.260  -5.246
  309    HB   ILE  40           HB       ILE  40   2.517  -3.951  -4.754
  310   1HG1  ILE  40          12HG      ILE  40   3.096  -6.920  -4.387
  311   2HG1  ILE  40          13HG      ILE  40   3.754  -5.910  -5.670
  312   1HG2  ILE  40          21HG      ILE  40   0.748  -4.285  -3.033
  313   2HG2  ILE  40          22HG      ILE  40   1.276  -5.953  -2.831
  314   3HG2  ILE  40          23HG      ILE  40   2.336  -4.615  -2.388
  315   1HD1  ILE  40          11HD      ILE  40   5.434  -6.136  -3.988
  316   2HD1  ILE  40          12HD      ILE  40   4.849  -4.457  -3.954
  317   3HD1  ILE  40          13HD      ILE  40   4.330  -5.624  -2.702
  318    H    TYR  41           H        TYR  41  -1.473  -5.365  -4.911
  319    HA   TYR  41           HA       TYR  41  -1.958  -2.587  -5.889
  320   1HB   TYR  41          2HB       TYR  41  -2.482  -5.095  -7.286
  321   2HB   TYR  41          3HB       TYR  41  -4.004  -4.395  -6.822
  322    HD1  TYR  41           HD1      TYR  41  -1.540  -4.438  -9.345
  323    HD2  TYR  41           HD2      TYR  41  -4.207  -1.750  -7.297
  324    HE1  TYR  41           HE1      TYR  41  -1.639  -3.001 -11.368
  325    HE2  TYR  41           HE2      TYR  41  -4.304  -0.301  -9.310
  326    HH   TYR  41           HH       TYR  41  -3.486   0.081 -11.414
  327    H    GLU  42           H        GLU  42  -3.943  -1.677  -5.041
  328    HA   GLU  42           HA       GLU  42  -5.501  -3.470  -3.265
  329   1HB   GLU  42          2HB       GLU  42  -4.018  -1.828  -2.012
  330   2HB   GLU  42          3HB       GLU  42  -4.980  -0.519  -2.699
  331   1HG   GLU  42          2HG       GLU  42  -6.977  -1.298  -1.537
  332   2HG   GLU  42          3HG       GLU  42  -6.205  -2.840  -1.157
  333    H    VAL  43           H        VAL  43  -5.854  -3.141  -6.062
  334    HA   VAL  43           HA       VAL  43  -8.619  -2.560  -5.901
  335    HB   VAL  43           HB       VAL  43  -8.075  -0.266  -6.326
  336   1HG1  VAL  43          11HG      VAL  43  -7.002   0.587  -8.334
  337   2HG1  VAL  43          12HG      VAL  43  -5.896  -0.366  -7.354
  338   3HG1  VAL  43          13HG      VAL  43  -6.591  -1.061  -8.835
  339   1HG2  VAL  43          21HG      VAL  43 -10.073  -1.229  -7.432
  340   2HG2  VAL  43          22HG      VAL  43  -9.410   0.206  -8.244
  341   3HG2  VAL  43          23HG      VAL  43  -9.130  -1.404  -8.924
  342    H    TRP  44           H        TRP  44  -5.878  -3.186  -8.209
  343    HA   TRP  44           HA       TRP  44  -7.550  -4.312 -10.154
  344   1HB   TRP  44          2HB       TRP  44  -5.180  -3.553 -10.471
  345   2HB   TRP  44          3HB       TRP  44  -4.639  -5.009  -9.636
  346    HD1  TRP  44           HD1      TRP  44  -7.421  -5.047 -12.316
  347    HE1  TRP  44           HE1      TRP  44  -6.672  -6.379 -14.325
  348    HE3  TRP  44           HE3      TRP  44  -2.510  -5.731 -11.013
  349    HZ2  TRP  44           HZ2      TRP  44  -4.219  -7.603 -15.289
  350    HZ3  TRP  44           HZ3      TRP  44  -0.972  -6.935 -12.537
  351    HH2  TRP  44           HH2      TRP  44  -1.811  -7.878 -14.678
  352    H    ASP  45           H        ASP  45  -8.205  -6.385 -10.613
  353    HA   ASP  45           HA       ASP  45  -7.771  -8.535  -8.614
  354   1HB   ASP  45          2HB       ASP  45  -9.824  -7.233  -8.047
  355   2HB   ASP  45          3HB       ASP  45 -10.481  -7.603  -9.642
  356    H    ARG  46           H        ARG  46  -6.477  -8.233 -10.993
  357    HA   ARG  46           HA       ARG  46  -5.670  -9.488 -12.626
  358   1HB   ARG  46          2HB       ARG  46  -6.502 -11.322 -10.960
  359   2HB   ARG  46          3HB       ARG  46  -7.740 -11.657 -12.180
  360   1HG   ARG  46          2HG       ARG  46  -6.000 -12.125 -13.842
  361   2HG   ARG  46          3HG       ARG  46  -4.747 -11.591 -12.700
  362   1HD   ARG  46          2HD       ARG  46  -5.544 -13.506 -11.179
  363   2HD   ARG  46          3HD       ARG  46  -6.469 -14.084 -12.580
  364    HE   ARG  46           HE       ARG  46  -3.566 -13.483 -12.853
  365   1HH1  ARG  46          21HH      ARG  46  -6.023 -16.050 -12.754
  366   2HH1  ARG  46          22HH      ARG  46  -4.997 -17.228 -13.487
  367   1HH2  ARG  46          11HH      ARG  46  -2.250 -14.981 -13.814
  368   2HH2  ARG  46          12HH      ARG  46  -2.766 -16.607 -14.087
  369    H    LYS  47           H        LYS  47  -8.962  -8.544 -12.839
  370    HA   LYS  47           HA       LYS  47  -9.661  -9.393 -15.410
  371   1HB   LYS  47          2HB       LYS  47 -11.038  -8.101 -13.602
  372   2HB   LYS  47          3HB       LYS  47 -10.375  -6.638 -14.343
  373   1HG   LYS  47          2HG       LYS  47 -11.291  -7.531 -16.579
  374   2HG   LYS  47          3HG       LYS  47 -12.091  -8.800 -15.635
  375   1HD   LYS  47          2HD       LYS  47 -13.159  -6.857 -14.266
  376   2HD   LYS  47          3HD       LYS  47 -12.517  -5.790 -15.516
  377   1HE   LYS  47          2HE       LYS  47 -14.646  -6.153 -16.328
  378   2HE   LYS  47          3HE       LYS  47 -13.744  -7.386 -17.193
  379   1HZ   LYS  47          1HZ       LYS  47 -15.766  -8.293 -16.269
  380   2HZ   LYS  47          2HZ       LYS  47 -14.515  -8.988 -15.490
  381   3HZ   LYS  47          3HZ       LYS  47 -15.385  -7.813 -14.763
  Start of MODEL    2
    1   1H    ALA   1          H1        ALA   1  -6.275  -2.785   2.003
    2   2H    ALA   1          H2        ALA   1  -7.588  -3.751   1.821
    3   3H    ALA   1          H3        ALA   1  -7.017  -3.418   3.331
    4    HA   ALA   1           HA       ALA   1  -4.980  -4.567   2.881
    5   1HB   ALA   1          HB1       ALA   1  -7.442  -6.270   2.272
    6   2HB   ALA   1          HB2       ALA   1  -5.845  -6.879   2.753
    7   3HB   ALA   1          HB3       ALA   1  -6.790  -5.897   3.886
    8    H    ILE   2           H        ILE   2  -3.464  -4.805   1.336
    9    HA   ILE   2           HA       ILE   2  -3.987  -4.608  -1.467
   10    HB   ILE   2           HB       ILE   2  -1.622  -5.457  -1.694
   11   1HG1  ILE   2          2HG1      ILE   2  -1.472  -5.273   1.343
   12   2HG1  ILE   2          3HG1      ILE   2  -1.679  -6.803   0.485
   13   1HG2  ILE   2          1HG2      ILE   2  -2.107  -3.100  -1.660
   14   2HG2  ILE   2          2HG2      ILE   2  -2.111  -3.060   0.119
   15   3HG2  ILE   2          3HG2      ILE   2  -0.615  -3.380  -0.781
   16   1HD1  ILE   2          1HD1      ILE   2   0.699  -4.927   0.176
   17   2HD1  ILE   2          2HD1      ILE   2   0.659  -6.476   1.028
   18   3HD1  ILE   2          3HD1      ILE   2   0.439  -6.439  -0.730
   19    H    LYS   3           H        LYS   3  -3.410  -6.198  -3.048
   20    HA   LYS   3           HA       LYS   3  -3.837  -9.057  -2.411
   21   1HB   LYS   3          HB2       LYS   3  -4.933  -7.467  -4.787
   22   2HB   LYS   3          HB3       LYS   3  -5.007  -9.224  -4.623
   23   1HG   LYS   3          HG2       LYS   3  -6.415  -8.993  -2.595
   24   2HG   LYS   3          HG3       LYS   3  -6.390  -7.235  -2.761
   25   1HD   LYS   3          HD2       LYS   3  -7.558  -9.175  -4.804
   26   2HD   LYS   3          HD3       LYS   3  -8.479  -8.249  -3.609
   27   1HE   LYS   3          HE2       LYS   3  -7.590  -6.123  -4.625
   28   2HE   LYS   3          HE3       LYS   3  -6.788  -7.093  -5.868
   29   1HZ   LYS   3          HZ1       LYS   3  -9.706  -6.901  -5.439
   30   2HZ   LYS   3          HZ2       LYS   3  -8.846  -6.286  -6.696
   31   3HZ   LYS   3          HZ3       LYS   3  -9.009  -7.922  -6.519
   32    H    LEU   4           H        LEU   4  -2.763 -10.353  -4.144
   33    HA   LEU   4           HA       LEU   4  -0.447  -8.954  -5.428
   34   1HB   LEU   4          HB2       LEU   4  -0.715 -11.877  -4.592
   35   2HB   LEU   4          HB3       LEU   4   0.658 -11.158  -5.433
   36    HG   LEU   4           HG       LEU   4  -0.259 -10.489  -2.596
   37   1HD1  LEU   4          1HD1      LEU   4   0.791 -12.707  -2.810
   38   2HD1  LEU   4          2HD1      LEU   4   2.204 -11.976  -3.601
   39   3HD1  LEU   4          3HD1      LEU   4   1.825 -11.591  -1.907
   40   1HD2  LEU   4          1HD2      LEU   4   1.867  -9.202  -2.434
   41   2HD2  LEU   4          2HD2      LEU   4   2.132  -9.454  -4.173
   42   3HD2  LEU   4          3HD2      LEU   4   0.750  -8.491  -3.597
   43    H    VAL   5           H        VAL   5  -0.468  -9.043  -7.644
   44    HA   VAL   5           HA       VAL   5  -2.725 -10.526  -8.909
   45    HB   VAL   5           HB       VAL   5  -2.130  -7.574  -9.372
   46   1HG1  VAL   5          1HG1      VAL   5  -3.485  -8.733 -11.087
   47   2HG1  VAL   5          2HG1      VAL   5  -4.609  -9.295  -9.822
   48   3HG1  VAL   5          3HG1      VAL   5  -4.465  -7.566 -10.196
   49   1HG2  VAL   5          1HG2      VAL   5  -2.747  -7.648  -7.001
   50   2HG2  VAL   5          2HG2      VAL   5  -4.070  -6.994  -7.947
   51   3HG2  VAL   5          3HG2      VAL   5  -4.159  -8.671  -7.374
   52    H    GLN   6           H        GLN   6  -2.348 -11.085 -11.094
   53    HA   GLN   6           HA       GLN   6  -0.154  -9.922 -12.552
   54   1HB   GLN   6          HB2       GLN   6   0.943 -12.115 -13.018
   55   2HB   GLN   6          HB3       GLN   6   1.190 -11.522 -11.389
   56   1HG   GLN   6          HG2       GLN   6  -0.880 -13.657 -12.065
   57   2HG   GLN   6          HG3       GLN   6   0.789 -14.011 -11.656
   58   1HE2  GLN   6          2HE2      GLN   6   1.618 -13.125  -9.488
   59   2HE2  GLN   6          1HE2      GLN   6   0.488 -13.155  -8.160
   60    H    SER   7           H        SER   7  -0.423 -10.155 -14.756
   61    HA   SER   7           HA       SER   7  -2.001 -12.139 -16.011
   62   1HB   SER   7          HB2       SER   7  -3.507  -9.846 -15.015
   63   2HB   SER   7          HB3       SER   7  -3.494  -9.806 -16.781
   64    HG   SER   7           HG       SER   7  -5.202 -11.021 -15.853
   65    HA   PRO   8           HA       PRO   8   0.592 -10.479 -19.173
   66   1HB   PRO   8          HB2       PRO   8  -0.625 -11.218 -21.526
   67   2HB   PRO   8          HB3       PRO   8   0.185 -12.363 -20.417
   68   1HG   PRO   8          HG2       PRO   8  -2.773 -11.728 -20.602
   69   2HG   PRO   8          HG3       PRO   8  -1.987 -13.337 -20.525
   70   1HD   PRO   8          HD2       PRO   8  -3.036 -12.145 -18.314
   71   2HD   PRO   8          HD3       PRO   8  -1.529 -13.106 -18.220
   72    H    ASN   9           H        ASN   9  -2.826  -9.486 -19.266
   73    HA   ASN   9           HA       ASN   9  -2.553  -7.573 -21.339
   74   1HB   ASN   9          HB2       ASN   9  -4.711  -8.573 -20.509
   75   2HB   ASN   9          HB3       ASN   9  -4.593  -7.548 -19.074
   76   1HD2  ASN   9          2HD2      ASN   9  -4.925  -7.509 -22.657
   77   2HD2  ASN   9          1HD2      ASN   9  -5.588  -5.900 -22.741
   78    H    GLY  10           H        GLY  10  -1.859  -7.280 -17.868
   79   1HA   GLY  10          HA2       GLY  10  -1.096  -5.524 -16.593
   80   2HA   GLY  10          HA3       GLY  10  -0.513  -4.783 -18.095
   81    H    ASN  11           H        ASN  11  -3.806  -5.553 -16.877
   82    HA   ASN  11           HA       ASN  11  -4.926  -3.122 -17.978
   83   1HB   ASN  11          HB2       ASN  11  -6.194  -5.229 -17.987
   84   2HB   ASN  11          HB3       ASN  11  -6.139  -5.282 -16.234
   85   1HD2  ASN  11          2HD2      ASN  11  -8.451  -5.301 -16.131
   86   2HD2  ASN  11          1HD2      ASN  11  -9.386  -3.838 -16.434
   87    H    PHE  12           H        PHE  12  -3.358  -1.758 -16.710
   88    HA   PHE  12           HA       PHE  12  -3.467  -1.270 -13.969
   89   1HB   PHE  12          HB2       PHE  12  -1.799  -0.256 -15.363
   90   2HB   PHE  12          HB3       PHE  12  -3.008   0.550 -16.352
   91    HD1  PHE  12           HD1      PHE  12  -1.415   0.550 -12.965
   92    HD2  PHE  12           HD2      PHE  12  -3.886   2.701 -15.771
   93    HE1  PHE  12           HE1      PHE  12  -1.224   2.596 -11.571
   94    HE2  PHE  12           HE2      PHE  12  -3.684   4.742 -14.379
   95    HZ   PHE  12           HZ       PHE  12  -2.360   4.693 -12.273
   96    H    ALA  13           H        ALA  13  -5.105  -0.713 -12.671
   97    HA   ALA  13           HA       ALA  13  -7.623   0.273 -13.864
   98   1HB   ALA  13          HB1       ALA  13  -8.647  -0.663 -11.845
   99   2HB   ALA  13          HB2       ALA  13  -7.602  -1.862 -12.630
  100   3HB   ALA  13          HB3       ALA  13  -7.046  -1.014 -11.167
  101    H    ALA  14           H        ALA  14  -5.076   1.668 -12.161
  102    HA   ALA  14           HA       ALA  14  -4.659   3.364 -10.820
  103   1HB   ALA  14          HB1       ALA  14  -7.180   4.612 -11.959
  104   2HB   ALA  14          HB2       ALA  14  -5.850   5.452 -11.140
  105   3HB   ALA  14          HB3       ALA  14  -5.564   4.651 -12.696
  106    H    SER  15           H        SER  15  -8.276   3.148 -10.416
  107    HA   SER  15           HA       SER  15  -8.072   2.467  -7.638
  108   1HB   SER  15          HB2       SER  15  -9.155   4.663  -6.856
  109   2HB   SER  15          HB3       SER  15  -7.429   4.711  -7.218
  110    HG   SER  15           HG       SER  15  -8.544   6.491  -8.121
  111    H    PHE  16           H        PHE  16 -10.258   2.482  -6.583
  112    HA   PHE  16           HA       PHE  16 -12.630   2.632  -8.239
  113   1HB   PHE  16          HB2       PHE  16 -11.571   0.415  -8.887
  114   2HB   PHE  16          HB3       PHE  16 -11.672  -0.072  -7.202
  115    HD1  PHE  16           HD1      PHE  16 -13.340  -1.665  -6.838
  116    HD2  PHE  16           HD2      PHE  16 -14.021   1.438  -9.765
  117    HE1  PHE  16           HE1      PHE  16 -15.570  -2.624  -7.348
  118    HE2  PHE  16           HE2      PHE  16 -16.258   0.484 -10.249
  119    HZ   PHE  16           HZ       PHE  16 -17.035  -1.551  -9.045
  120    H    VAL  17           H        VAL  17 -14.533   1.690  -6.759
  121    HA   VAL  17           HA       VAL  17 -13.936   1.821  -3.890
  122    HB   VAL  17           HB       VAL  17 -16.161   3.466  -5.174
  123   1HG1  VAL  17          1HG1      VAL  17 -16.575   4.301  -2.889
  124   2HG1  VAL  17          2HG1      VAL  17 -16.786   2.550  -2.949
  125   3HG1  VAL  17          3HG1      VAL  17 -15.304   3.240  -2.250
  126   1HG2  VAL  17          1HG2      VAL  17 -14.031   4.638  -5.502
  127   2HG2  VAL  17          2HG2      VAL  17 -14.971   5.452  -4.253
  128   3HG2  VAL  17          3HG2      VAL  17 -13.610   4.407  -3.790
  129    H    LEU  18           H        LEU  18 -15.117   0.231  -2.847
  130    HA   LEU  18           HA       LEU  18 -17.251  -1.233  -4.294
  131   1HB   LEU  18          HB2       LEU  18 -14.882  -2.115  -4.851
  132   2HB   LEU  18          HB3       LEU  18 -14.793  -2.635  -3.177
  133    HG   LEU  18           HG       LEU  18 -16.836  -3.586  -5.216
  134   1HD1  LEU  18          1HD1      LEU  18 -14.516  -4.323  -5.682
  135   2HD1  LEU  18          2HD1      LEU  18 -14.380  -4.959  -4.030
  136   3HD1  LEU  18          3HD1      LEU  18 -15.531  -5.680  -5.179
  137   1HD2  LEU  18          1HD2      LEU  18 -17.862  -3.867  -3.055
  138   2HD2  LEU  18          2HD2      LEU  18 -17.232  -5.436  -3.521
  139   3HD2  LEU  18          3HD2      LEU  18 -16.344  -4.457  -2.334
  140    H    ASP  19           H        ASP  19 -18.814  -1.465  -2.814
  141    HA   ASP  19           HA       ASP  19 -19.963  -1.345  -0.900
  142   1HB   ASP  19          HB2       ASP  19 -19.261  -3.693  -0.991
  143   2HB   ASP  19          HB3       ASP  19 -17.861  -3.324   0.020
  144    H    GLY  20           H        GLY  20 -18.409   0.868  -1.120
  145   1HA   GLY  20          HA2       GLY  20 -18.059   2.740   0.138
  146   2HA   GLY  20          HA3       GLY  20 -18.437   1.817   1.597
  147    H    THR  21           H        THR  21 -15.953   0.149   0.015
  148    HA   THR  21           HA       THR  21 -13.835   1.457   1.658
  149    HB   THR  21           HB       THR  21 -13.921  -1.246   0.241
  150    HG1  THR  21           HG1      THR  21 -15.381  -1.069   1.984
  151   1HG2  THR  21          1HG2      THR  21 -11.995  -1.810   1.707
  152   2HG2  THR  21          2HG2      THR  21 -11.612  -0.510   0.577
  153   3HG2  THR  21          3HG2      THR  21 -11.946  -0.125   2.281
  154    H    LYS  22           H        LYS  22 -12.095   2.435   0.558
  155    HA   LYS  22           HA       LYS  22 -12.376   2.753  -2.379
  156   1HB   LYS  22          HB2       LYS  22 -12.057   4.758  -0.945
  157   2HB   LYS  22          HB3       LYS  22 -10.493   4.125  -0.406
  158   1HG   LYS  22          HG2       LYS  22  -9.593   4.274  -2.673
  159   2HG   LYS  22          HG3       LYS  22 -11.190   4.685  -3.326
  160   1HD   LYS  22          HD2       LYS  22 -11.174   6.798  -2.033
  161   2HD   LYS  22          HD3       LYS  22  -9.574   6.382  -1.375
  162   1HE   LYS  22          HE2       LYS  22  -8.635   6.336  -3.671
  163   2HE   LYS  22          HE3       LYS  22 -10.228   6.709  -4.341
  164   1HZ   LYS  22          HZ1       LYS  22  -8.859   8.689  -4.167
  165   2HZ   LYS  22          HZ2       LYS  22 -10.149   8.841  -3.187
  166   3HZ   LYS  22          HZ3       LYS  22  -8.677   8.500  -2.559
  167    H    TRP  23           H        TRP  23 -10.642   2.260  -3.777
  168    HA   TRP  23           HA       TRP  23  -8.610   0.301  -2.845
  169   1HB   TRP  23          HB2       TRP  23 -10.686   0.056  -5.072
  170   2HB   TRP  23          HB3       TRP  23  -9.377  -1.062  -4.848
  171    HD1  TRP  23           HD1      TRP  23 -12.669  -0.049  -3.324
  172    HE1  TRP  23           HE1      TRP  23 -13.513  -1.811  -1.696
  173    HE3  TRP  23           HE3      TRP  23  -8.627  -3.189  -3.386
  174    HZ2  TRP  23           HZ2      TRP  23 -12.548  -4.302  -0.545
  175    HZ3  TRP  23           HZ3      TRP  23  -8.618  -5.251  -2.029
  176    HH2  TRP  23           HH2      TRP  23 -10.574  -5.824  -0.605
  177    H    ILE  24           H        ILE  24  -6.657   0.457  -4.164
  178    HA   ILE  24           HA       ILE  24  -6.475   2.510  -6.225
  179    HB   ILE  24           HB       ILE  24  -6.675   3.803  -4.147
  180   1HG1  ILE  24          2HG1      ILE  24  -3.866   4.116  -5.250
  181   2HG1  ILE  24          3HG1      ILE  24  -5.325   4.584  -6.130
  182   1HG2  ILE  24          1HG2      ILE  24  -5.647   2.182  -2.561
  183   2HG2  ILE  24          2HG2      ILE  24  -4.052   2.539  -3.253
  184   3HG2  ILE  24          3HG2      ILE  24  -4.969   3.798  -2.405
  185   1HD1  ILE  24          1HD1      ILE  24  -5.933   6.129  -4.263
  186   2HD1  ILE  24          2HD1      ILE  24  -4.387   5.732  -3.472
  187   3HD1  ILE  24          3HD1      ILE  24  -4.395   6.530  -5.051
  188    H    PHE  25           H        PHE  25  -4.370   2.673  -7.177
  189    HA   PHE  25           HA       PHE  25  -2.801   0.351  -7.477
  190   1HB   PHE  25          HB2       PHE  25  -2.929   2.137  -9.123
  191   2HB   PHE  25          HB3       PHE  25  -2.310   3.310  -7.971
  192    HD1  PHE  25           HD1      PHE  25  -1.276   0.053  -9.581
  193    HD2  PHE  25           HD2      PHE  25  -0.048   3.921  -8.120
  194    HE1  PHE  25           HE1      PHE  25   1.001  -0.357 -10.421
  195    HE2  PHE  25           HE2      PHE  25   2.243   3.504  -8.966
  196    HZ   PHE  25           HZ       PHE  25   2.779   1.372 -10.127
  197    H    LYS  26           H        LYS  26  -0.561  -0.045  -6.911
  198    HA   LYS  26           HA       LYS  26   0.614   1.626  -4.822
  199   1HB   LYS  26          HB2       LYS  26  -0.623  -0.346  -3.718
  200   2HB   LYS  26          HB3       LYS  26   0.643  -1.375  -4.358
  201   1HG   LYS  26          HG2       LYS  26   1.106   1.013  -2.527
  202   2HG   LYS  26          HG3       LYS  26   0.915  -0.658  -1.991
  203   1HD   LYS  26          HD2       LYS  26   2.945  -1.290  -3.357
  204   2HD   LYS  26          HD3       LYS  26   3.155   0.424  -3.737
  205   1HE   LYS  26          HE2       LYS  26   4.646  -0.053  -1.966
  206   2HE   LYS  26          HE3       LYS  26   3.348   0.948  -1.314
  207   1HZ   LYS  26          HZ1       LYS  26   3.581  -1.995  -0.987
  208   2HZ   LYS  26          HZ2       LYS  26   3.903  -0.884   0.155
  209   3HZ   LYS  26          HZ3       LYS  26   2.372  -1.075  -0.364
  210    H    SER  27           H        SER  27   1.325  -1.502  -6.639
  211    HA   SER  27           HA       SER  27   3.535  -0.099  -8.027
  212   1HB   SER  27          HB2       SER  27   3.928  -2.661  -6.414
  213   2HB   SER  27          HB3       SER  27   5.147  -1.829  -7.389
  214    HG   SER  27           HG       SER  27   5.408  -1.317  -5.217
  215    H    LYS  28           H        LYS  28   4.185  -1.177  -9.983
  216    HA   LYS  28           HA       LYS  28   3.170  -3.849 -10.520
  217   1HB   LYS  28          HB2       LYS  28   2.204  -3.393 -12.665
  218   2HB   LYS  28          HB3       LYS  28   1.350  -2.451 -11.453
  219   1HG   LYS  28          HG2       LYS  28   2.658  -0.420 -12.147
  220   2HG   LYS  28          HG3       LYS  28   3.481  -1.390 -13.374
  221   1HD   LYS  28          HD2       LYS  28   1.252  -1.925 -14.395
  222   2HD   LYS  28          HD3       LYS  28   0.491  -0.807 -13.262
  223   1HE   LYS  28          HE2       LYS  28   2.644  -0.106 -15.320
  224   2HE   LYS  28          HE3       LYS  28   0.917   0.161 -15.534
  225   1HZ   LYS  28          HZ1       LYS  28   2.599   1.488 -13.484
  226   2HZ   LYS  28          HZ2       LYS  28   2.013   2.172 -14.837
  227   3HZ   LYS  28          HZ3       LYS  28   0.983   1.716 -13.662
  228    H    TYR  29           H        TYR  29   4.373  -4.886 -12.253
  229    HA   TYR  29           HA       TYR  29   6.478  -3.445 -13.631
  230   1HB   TYR  29          HB2       TYR  29   8.325  -4.771 -12.841
  231   2HB   TYR  29          HB3       TYR  29   7.603  -3.959 -11.475
  232    HD1  TYR  29           HD1      TYR  29   6.011  -5.333  -9.926
  233    HD2  TYR  29           HD2      TYR  29   8.672  -7.119 -12.818
  234    HE1  TYR  29           HE1      TYR  29   5.920  -7.472  -8.684
  235    HE2  TYR  29           HE2      TYR  29   8.609  -9.248 -11.570
  236    HH   TYR  29           HH       TYR  29   7.766 -10.382  -9.712
  237    H    TYR  30           H        TYR  30   7.490  -4.927 -15.274
  238    HA   TYR  30           HA       TYR  30   5.617  -7.089 -16.099
  239   1HB   TYR  30          HB2       TYR  30   6.185  -5.296 -17.737
  240   2HB   TYR  30          HB3       TYR  30   7.877  -5.771 -17.643
  241    HD1  TYR  30           HD1      TYR  30   4.444  -7.039 -18.464
  242    HD2  TYR  30           HD2      TYR  30   8.687  -7.562 -19.022
  243    HE1  TYR  30           HE1      TYR  30   3.996  -8.673 -20.274
  244    HE2  TYR  30           HE2      TYR  30   8.257  -9.190 -20.832
  245    HH   TYR  30           HH       TYR  30   6.636 -10.243 -22.145
  246    H    ASP  31           H        ASP  31   6.205  -9.125 -15.576
  247    HA   ASP  31           HA       ASP  31   8.922  -9.609 -14.485
  248   1HB   ASP  31          HB2       ASP  31   7.046 -10.332 -13.098
  249   2HB   ASP  31          HB3       ASP  31   6.409 -11.310 -14.422
  250    H    SER  32           H        SER  32   9.908  -9.396 -16.600
  251    HA   SER  32           HA       SER  32   9.247 -10.672 -18.910
  252   1HB   SER  32          HB2       SER  32  12.099 -10.299 -17.936
  253   2HB   SER  32          HB3       SER  32  11.503 -10.237 -19.605
  254    HG   SER  32           HG       SER  32  11.835  -8.150 -18.701
  255    H    SER  33           H        SER  33  10.763 -12.238 -16.097
  256    HA   SER  33           HA       SER  33  11.729 -14.573 -17.370
  257   1HB   SER  33          HB2       SER  33  10.662 -14.277 -14.537
  258   2HB   SER  33          HB3       SER  33  11.840 -15.463 -15.124
  259    HG   SER  33           HG       SER  33  12.826 -13.671 -14.063
  260    H    LYS  34           H        LYS  34   8.430 -13.604 -16.657
  261    HA   LYS  34           HA       LYS  34   7.469 -16.304 -17.524
  262   1HB   LYS  34          HB2       LYS  34   6.314 -14.453 -15.408
  263   2HB   LYS  34          HB3       LYS  34   5.434 -15.818 -16.108
  264   1HG   LYS  34          HG2       LYS  34   7.226 -17.367 -15.339
  265   2HG   LYS  34          HG3       LYS  34   8.050 -16.007 -14.552
  266   1HD   LYS  34          HD2       LYS  34   6.047 -15.599 -13.154
  267   2HD   LYS  34          HD3       LYS  34   5.221 -16.968 -13.904
  268   1HE   LYS  34          HE2       LYS  34   7.828 -17.126 -12.317
  269   2HE   LYS  34          HE3       LYS  34   6.225 -17.446 -11.652
  270   1HZ   LYS  34          HZ1       LYS  34   7.312 -19.489 -12.268
  271   2HZ   LYS  34          HZ2       LYS  34   6.003 -19.290 -13.214
  272   3HZ   LYS  34          HZ3       LYS  34   7.503 -19.018 -13.814
  273    H    GLY  35           H        GLY  35   7.467 -12.884 -18.111
  274   1HA   GLY  35          HA2       GLY  35   6.805 -11.844 -20.026
  275   2HA   GLY  35          HA3       GLY  35   6.146 -13.370 -20.636
  276    H    TYR  36           H        TYR  36   5.330 -11.499 -17.640
  277    HA   TYR  36           HA       TYR  36   2.841 -10.592 -18.784
  278   1HB   TYR  36          HB2       TYR  36   1.358 -11.546 -17.148
  279   2HB   TYR  36          HB3       TYR  36   2.090 -12.779 -18.135
  280    HD1  TYR  36           HD1      TYR  36   0.691 -13.895 -16.199
  281    HD2  TYR  36           HD2      TYR  36   4.566 -12.073 -15.631
  282    HE1  TYR  36           HE1      TYR  36   1.037 -15.260 -14.173
  283    HE2  TYR  36           HE2      TYR  36   4.897 -13.400 -13.600
  284    HH   TYR  36           HH       TYR  36   2.485 -15.783 -12.413
  285    H    TRP  37           H        TRP  37   1.613  -9.193 -17.113
  286    HA   TRP  37           HA       TRP  37   3.589  -7.568 -15.642
  287   1HB   TRP  37          HB2       TRP  37   0.629  -7.242 -16.239
  288   2HB   TRP  37          HB3       TRP  37   1.491  -6.240 -15.086
  289    HD1  TRP  37           HD1      TRP  37   1.289  -6.891 -18.850
  290    HE1  TRP  37           HE1      TRP  37   2.403  -4.973 -20.112
  291    HE3  TRP  37           HE3      TRP  37   3.255  -4.362 -14.862
  292    HZ2  TRP  37           HZ2      TRP  37   4.028  -2.643 -19.473
  293    HZ3  TRP  37           HZ3      TRP  37   4.621  -2.317 -15.220
  294    HH2  TRP  37           HH2      TRP  37   5.008  -1.451 -17.514
  295    H    VAL  38           H        VAL  38   3.468  -7.286 -13.429
  296    HA   VAL  38           HA       VAL  38   1.749  -9.035 -11.795
  297    HB   VAL  38           HB       VAL  38   4.771  -8.742 -11.467
  298   1HG1  VAL  38          1HG1      VAL  38   2.737 -10.447  -9.955
  299   2HG1  VAL  38          2HG1      VAL  38   4.500 -10.576  -9.776
  300   3HG1  VAL  38          3HG1      VAL  38   3.684  -9.091  -9.308
  301   1HG2  VAL  38          1HG2      VAL  38   4.918 -11.175 -11.999
  302   2HG2  VAL  38          2HG2      VAL  38   3.214 -11.148 -12.494
  303   3HG2  VAL  38          3HG2      VAL  38   4.422 -10.200 -13.379
  304    H    GLY  39           H        GLY  39   1.432  -7.995  -9.635
  305   1HA   GLY  39          HA2       GLY  39   2.872  -5.535  -9.077
  306   2HA   GLY  39          HA3       GLY  39   1.186  -5.262  -9.537
  307    H    ILE  40           H        ILE  40   2.086  -4.451  -7.207
  308    HA   ILE  40           HA       ILE  40   0.831  -6.187  -5.137
  309    HB   ILE  40           HB       ILE  40   2.523  -3.684  -4.675
  310   1HG1  ILE  40          2HG1      ILE  40   4.111  -5.231  -5.614
  311   2HG1  ILE  40          3HG1      ILE  40   4.393  -5.029  -3.898
  312   1HG2  ILE  40          1HG2      ILE  40   1.536  -5.878  -2.809
  313   2HG2  ILE  40          2HG2      ILE  40   2.591  -4.528  -2.336
  314   3HG2  ILE  40          3HG2      ILE  40   0.945  -4.208  -2.900
  315   1HD1  ILE  40          1HD1      ILE  40   4.681  -7.366  -4.600
  316   2HD1  ILE  40          2HD1      ILE  40   3.358  -7.222  -3.433
  317   3HD1  ILE  40          3HD1      ILE  40   3.005  -7.427  -5.171
  318    H    TYR  41           H        TYR  41  -1.313  -5.458  -4.922
  319    HA   TYR  41           HA       TYR  41  -1.918  -2.725  -5.967
  320   1HB   TYR  41          HB2       TYR  41  -2.161  -5.230  -7.373
  321   2HB   TYR  41          HB3       TYR  41  -3.781  -4.741  -6.937
  322    HD1  TYR  41           HD1      TYR  41  -1.599  -4.668  -9.561
  323    HD2  TYR  41           HD2      TYR  41  -3.987  -1.926  -7.247
  324    HE1  TYR  41           HE1      TYR  41  -1.790  -3.169 -11.534
  325    HE2  TYR  41           HE2      TYR  41  -4.165  -0.421  -9.211
  326    HH   TYR  41           HH       TYR  41  -3.452   0.005 -11.331
  327    H    GLU  42           H        GLU  42  -3.634  -1.745  -4.907
  328    HA   GLU  42           HA       GLU  42  -5.293  -3.483  -3.151
  329   1HB   GLU  42          HB2       GLU  42  -3.821  -1.762  -2.024
  330   2HB   GLU  42          HB3       GLU  42  -4.766  -0.501  -2.800
  331   1HG   GLU  42          HG2       GLU  42  -6.754  -1.131  -1.577
  332   2HG   GLU  42          HG3       GLU  42  -6.042  -2.670  -1.106
  333    H    VAL  43           H        VAL  43  -5.627  -3.292  -6.018
  334    HA   VAL  43           HA       VAL  43  -8.415  -2.774  -5.848
  335    HB   VAL  43           HB       VAL  43  -7.944  -0.502  -6.381
  336   1HG1  VAL  43          1HG1      VAL  43  -6.880   0.341  -8.360
  337   2HG1  VAL  43          2HG1      VAL  43  -5.752  -0.597  -7.392
  338   3HG1  VAL  43          3HG1      VAL  43  -6.448  -1.294  -8.879
  339   1HG2  VAL  43          1HG2      VAL  43  -9.909  -1.563  -7.459
  340   2HG2  VAL  43          2HG2      VAL  43  -9.278  -0.150  -8.329
  341   3HG2  VAL  43          3HG2      VAL  43  -8.949  -1.781  -8.936
  342    H    TRP  44           H        TRP  44  -5.830  -3.273  -8.364
  343    HA   TRP  44           HA       TRP  44  -7.588  -4.393 -10.154
  344   1HB   TRP  44          HB2       TRP  44  -5.301  -3.543 -10.654
  345   2HB   TRP  44          HB3       TRP  44  -4.624  -5.004  -9.935
  346    HD1  TRP  44           HD1      TRP  44  -7.601  -4.988 -12.409
  347    HE1  TRP  44           HE1      TRP  44  -7.004  -6.353 -14.460
  348    HE3  TRP  44           HE3      TRP  44  -2.613  -5.720 -11.454
  349    HZ2  TRP  44           HZ2      TRP  44  -4.609  -7.446 -15.671
  350    HZ3  TRP  44           HZ3      TRP  44  -1.182  -6.858 -13.123
  351    HH2  TRP  44           HH2      TRP  44  -2.154  -7.715 -15.237
  352    H    ASP  45           H        ASP  45  -7.897  -6.538 -10.977
  353    HA   ASP  45           HA       ASP  45  -7.665  -8.694  -8.944
  354   1HB   ASP  45          HB2       ASP  45  -9.869  -7.242  -8.995
  355   2HB   ASP  45          HB3       ASP  45 -10.247  -8.162 -10.447
  356    H    ARG  46           H        ARG  46  -6.218  -8.156 -11.349
  357    HA   ARG  46           HA       ARG  46  -5.398  -8.918 -13.198
  358   1HB   ARG  46          HB2       ARG  46  -4.846 -11.087 -13.425
  359   2HB   ARG  46          HB3       ARG  46  -4.888 -10.809 -11.703
  360   1HG   ARG  46          HG2       ARG  46  -6.901 -12.105 -11.439
  361   2HG   ARG  46          HG3       ARG  46  -7.195 -12.155 -13.185
  362   1HD   ARG  46          HD2       ARG  46  -4.827 -13.445 -11.768
  363   2HD   ARG  46          HD3       ARG  46  -6.285 -14.288 -12.299
  364    HE   ARG  46           HE       ARG  46  -4.316 -12.889 -14.075
  365   1HH1  ARG  46          1HH2      ARG  46  -6.488 -15.676 -13.634
  366   2HH1  ARG  46          2HH2      ARG  46  -6.402 -16.169 -15.283
  367   1HH2  ARG  46          1HH1      ARG  46  -4.426 -13.373 -16.244
  368   2HH2  ARG  46          2HH1      ARG  46  -5.084 -14.882 -16.810
  369    H    LYS  47           H        LYS  47  -8.748  -9.078 -13.097
  370    HA   LYS  47           HA       LYS  47  -9.372  -9.996 -15.708
  371   1HB   LYS  47          HB2       LYS  47 -10.591  -7.734 -14.058
  372   2HB   LYS  47          HB3       LYS  47 -11.283  -8.376 -15.551
  373   1HG   LYS  47          HG2       LYS  47 -11.495 -10.618 -14.518
  374   2HG   LYS  47          HG3       LYS  47 -10.826  -9.989 -12.999
  375   1HD   LYS  47          HD2       LYS  47 -12.697  -8.365 -12.844
  376   2HD   LYS  47          HD3       LYS  47 -13.407  -9.026 -14.321
  377   1HE   LYS  47          HE2       LYS  47 -12.886 -10.602 -11.753
  378   2HE   LYS  47          HE3       LYS  47 -14.432  -9.867 -12.181
  379   1HZ   LYS  47          HZ1       LYS  47 -14.516 -11.308 -14.131
  380   2HZ   LYS  47          HZ2       LYS  47 -13.097 -12.015 -13.722
  381   3HZ   LYS  47          HZ3       LYS  47 -14.403 -12.189 -12.767
  Start of MODEL    3
    1   1H    ALA   1          H1        ALA   1  -7.171  -3.603   3.329
    2   2H    ALA   1          H2        ALA   1  -6.420  -2.945   2.017
    3   3H    ALA   1          H3        ALA   1  -7.761  -3.869   1.814
    4    HA   ALA   1           HA       ALA   1  -5.171  -4.794   2.828
    5   1HB   ALA   1          HB1       ALA   1  -7.683  -6.404   2.175
    6   2HB   ALA   1          HB2       ALA   1  -6.102  -7.074   2.629
    7   3HB   ALA   1          HB3       ALA   1  -7.017  -6.104   3.797
    8    H    ILE   2           H        ILE   2  -3.671  -4.974   1.257
    9    HA   ILE   2           HA       ILE   2  -4.223  -4.624  -1.518
   10    HB   ILE   2           HB       ILE   2  -1.872  -5.535  -1.812
   11   1HG1  ILE   2          2HG1      ILE   2  -1.691  -5.409   1.226
   12   2HG1  ILE   2          3HG1      ILE   2  -1.922  -6.920   0.342
   13   1HG2  ILE   2          1HG2      ILE   2  -2.325  -3.170  -1.730
   14   2HG2  ILE   2          2HG2      ILE   2  -2.322  -3.167   0.050
   15   3HG2  ILE   2          3HG2      ILE   2  -0.832  -3.482  -0.863
   16   1HD1  ILE   2          1HD1      ILE   2   0.472  -5.064   0.041
   17   2HD1  ILE   2          2HD1      ILE   2   0.426  -6.625   0.874
   18   3HD1  ILE   2          3HD1      ILE   2   0.187  -6.562  -0.881
   19    H    LYS   3           H        LYS   3  -3.895  -6.044  -3.211
   20    HA   LYS   3           HA       LYS   3  -4.269  -8.963  -2.794
   21   1HB   LYS   3          HB2       LYS   3  -5.126  -7.100  -5.072
   22   2HB   LYS   3          HB3       LYS   3  -5.111  -8.857  -5.210
   23   1HG   LYS   3          HG2       LYS   3  -6.824  -9.119  -3.549
   24   2HG   LYS   3          HG3       LYS   3  -6.747  -7.411  -3.081
   25   1HD   LYS   3          HD2       LYS   3  -7.585  -6.685  -5.223
   26   2HD   LYS   3          HD3       LYS   3  -7.538  -8.322  -5.885
   27   1HE   LYS   3          HE2       LYS   3  -9.223  -7.596  -3.449
   28   2HE   LYS   3          HE3       LYS   3  -9.811  -7.363  -5.098
   29   1HZ   LYS   3          HZ1       LYS   3 -10.503  -9.495  -4.216
   30   2HZ   LYS   3          HZ2       LYS   3  -9.542  -9.695  -5.527
   31   3HZ   LYS   3          HZ3       LYS   3  -8.958  -9.980  -4.010
   32    H    LEU   4           H        LEU   4  -3.024 -10.139  -4.505
   33    HA   LEU   4           HA       LEU   4  -0.686  -8.666  -5.615
   34   1HB   LEU   4          HB2       LEU   4  -0.693 -11.479  -4.428
   35   2HB   LEU   4          HB3       LEU   4   0.644 -10.735  -5.299
   36    HG   LEU   4           HG       LEU   4  -0.467  -9.802  -2.612
   37   1HD1  LEU   4          1HD1      LEU   4   0.761 -11.939  -2.496
   38   2HD1  LEU   4          2HD1      LEU   4   2.153 -11.194  -3.314
   39   3HD1  LEU   4          3HD1      LEU   4   1.655 -10.635  -1.700
   40   1HD2  LEU   4          1HD2      LEU   4   1.889  -8.775  -4.252
   41   2HD2  LEU   4          2HD2      LEU   4   0.429  -7.874  -3.786
   42   3HD2  LEU   4          3HD2      LEU   4   1.584  -8.357  -2.548
   43    H    VAL   5           H        VAL   5  -0.429  -9.140  -7.800
   44    HA   VAL   5           HA       VAL   5  -2.419 -11.019  -8.986
   45    HB   VAL   5           HB       VAL   5  -2.039  -8.123  -9.842
   46   1HG1  VAL   5          1HG1      VAL   5  -2.941  -9.558 -11.616
   47   2HG1  VAL   5          2HG1      VAL   5  -4.150 -10.230 -10.495
   48   3HG1  VAL   5          3HG1      VAL   5  -4.224  -8.530 -11.013
   49   1HG2  VAL   5          1HG2      VAL   5  -3.062  -7.975  -7.631
   50   2HG2  VAL   5          2HG2      VAL   5  -4.266  -7.628  -8.859
   51   3HG2  VAL   5          3HG2      VAL   5  -4.261  -9.218  -8.067
   52    H    GLN   6           H        GLN   6  -1.902 -11.739 -11.072
   53    HA   GLN   6           HA       GLN   6   0.505 -10.747 -12.414
   54   1HB   GLN   6          HB2       GLN   6  -0.054 -13.731 -12.063
   55   2HB   GLN   6          HB3       GLN   6   1.297 -12.986 -12.922
   56   1HG   GLN   6          HG2       GLN   6   2.037 -12.015 -10.695
   57   2HG   GLN   6          HG3       GLN   6   0.809 -12.997  -9.910
   58   1HE2  GLN   6          2HE2      GLN   6   3.990 -12.990 -10.144
   59   2HE2  GLN   6          1HE2      GLN   6   4.329 -14.689 -10.334
   60    H    SER   7           H        SER   7  -0.148 -10.393 -14.583
   61    HA   SER   7           HA       SER   7  -1.961 -12.191 -15.916
   62   1HB   SER   7          HB2       SER   7  -2.938  -9.330 -15.585
   63   2HB   SER   7          HB3       SER   7  -3.756 -10.627 -16.447
   64    HG   SER   7           HG       SER   7  -3.295 -11.429 -13.954
   65    HA   PRO   8           HA       PRO   8   0.580 -10.479 -19.097
   66   1HB   PRO   8          HB2       PRO   8  -0.811 -10.953 -21.424
   67   2HB   PRO   8          HB3       PRO   8  -0.015 -12.227 -20.453
   68   1HG   PRO   8          HG2       PRO   8  -2.932 -11.400 -20.406
   69   2HG   PRO   8          HG3       PRO   8  -2.250 -13.055 -20.503
   70   1HD   PRO   8          HD2       PRO   8  -3.087 -11.998 -18.144
   71   2HD   PRO   8          HD3       PRO   8  -1.630 -13.033 -18.222
   72    H    ASN   9           H        ASN   9  -2.753  -9.252 -18.930
   73    HA   ASN   9           HA       ASN   9  -2.285  -7.086 -20.781
   74   1HB   ASN   9          HB2       ASN   9  -4.515  -6.305 -20.144
   75   2HB   ASN   9          HB3       ASN   9  -4.509  -8.009 -20.557
   76   1HD2  ASN   9          2HD2      ASN   9  -5.438  -9.421 -19.074
   77   2HD2  ASN   9          1HD2      ASN   9  -5.833  -9.011 -17.417
   78    H    GLY  10           H        GLY  10  -1.780  -7.366 -17.300
   79   1HA   GLY  10          HA2       GLY  10  -1.111  -5.851 -15.715
   80   2HA   GLY  10          HA3       GLY  10  -0.289  -5.044 -17.051
   81    H    ASN  11           H        ASN  11  -3.855  -5.272 -16.789
   82    HA   ASN  11           HA       ASN  11  -4.236  -2.661 -17.604
   83   1HB   ASN  11          HB2       ASN  11  -6.030  -4.286 -17.699
   84   2HB   ASN  11          HB3       ASN  11  -6.066  -4.422 -15.935
   85   1HD2  ASN  11          2HD2      ASN  11  -6.455  -1.948 -18.576
   86   2HD2  ASN  11          1HD2      ASN  11  -7.608  -0.988 -17.693
   87    H    PHE  12           H        PHE  12  -3.701  -0.770 -16.712
   88    HA   PHE  12           HA       PHE  12  -3.316  -0.459 -13.844
   89   1HB   PHE  12          HB2       PHE  12  -1.799   0.659 -15.349
   90   2HB   PHE  12          HB3       PHE  12  -3.119   1.428 -16.216
   91    HD1  PHE  12           HD1      PHE  12  -3.966   3.549 -15.528
   92    HD2  PHE  12           HD2      PHE  12  -1.376   1.321 -12.889
   93    HE1  PHE  12           HE1      PHE  12  -3.755   5.531 -14.055
   94    HE2  PHE  12           HE2      PHE  12  -1.190   3.300 -11.409
   95    HZ   PHE  12           HZ       PHE  12  -2.377   5.411 -11.985
   96    H    ALA  13           H        ALA  13  -5.066  -0.235 -12.551
   97    HA   ALA  13           HA       ALA  13  -7.614   0.744 -13.666
   98   1HB   ALA  13          HB1       ALA  13  -8.574  -0.194 -11.611
   99   2HB   ALA  13          HB2       ALA  13  -7.537  -1.381 -12.425
  100   3HB   ALA  13          HB3       ALA  13  -6.947  -0.522 -10.982
  101    H    ALA  14           H        ALA  14  -5.061   2.154 -11.930
  102    HA   ALA  14           HA       ALA  14  -4.674   3.846 -10.573
  103   1HB   ALA  14          HB1       ALA  14  -7.217   5.085 -11.675
  104   2HB   ALA  14          HB2       ALA  14  -5.896   5.920 -10.836
  105   3HB   ALA  14          HB3       ALA  14  -5.607   5.169 -12.415
  106    H    SER  15           H        SER  15  -8.289   3.609 -10.192
  107    HA   SER  15           HA       SER  15  -8.106   2.765  -7.463
  108   1HB   SER  15          HB2       SER  15  -9.174   4.919  -6.546
  109   2HB   SER  15          HB3       SER  15  -7.444   4.968  -6.889
  110    HG   SER  15           HG       SER  15  -8.533   6.817  -7.678
  111    H    PHE  16           H        PHE  16 -10.301   2.733  -6.423
  112    HA   PHE  16           HA       PHE  16 -12.657   3.008  -8.083
  113   1HB   PHE  16          HB2       PHE  16 -11.565   0.824  -8.856
  114   2HB   PHE  16          HB3       PHE  16 -11.770   0.225  -7.216
  115    HD1  PHE  16           HD1      PHE  16 -13.470  -1.374  -7.098
  116    HD2  PHE  16           HD2      PHE  16 -13.953   1.986  -9.770
  117    HE1  PHE  16           HE1      PHE  16 -15.681  -2.247  -7.809
  118    HE2  PHE  16           HE2      PHE  16 -16.173   1.118 -10.450
  119    HZ   PHE  16           HZ       PHE  16 -17.042  -0.999  -9.473
  120    H    VAL  17           H        VAL  17 -14.563   1.889  -6.692
  121    HA   VAL  17           HA       VAL  17 -14.008   1.917  -3.803
  122    HB   VAL  17           HB       VAL  17 -16.256   3.520  -5.100
  123   1HG1  VAL  17          1HG1      VAL  17 -16.832   4.214  -2.806
  124   2HG1  VAL  17          2HG1      VAL  17 -16.967   2.462  -2.964
  125   3HG1  VAL  17          3HG1      VAL  17 -15.557   3.171  -2.147
  126   1HG2  VAL  17          1HG2      VAL  17 -13.820   4.467  -3.524
  127   2HG2  VAL  17          2HG2      VAL  17 -14.148   4.774  -5.243
  128   3HG2  VAL  17          3HG2      VAL  17 -15.186   5.492  -4.013
  129    H    LEU  18           H        LEU  18 -15.033   0.181  -2.885
  130    HA   LEU  18           HA       LEU  18 -17.264  -1.194  -4.192
  131   1HB   LEU  18          HB2       LEU  18 -15.348  -2.145  -5.410
  132   2HB   LEU  18          HB3       LEU  18 -14.484  -2.422  -3.911
  133    HG   LEU  18           HG       LEU  18 -16.235  -4.091  -3.226
  134   1HD1  LEU  18          1HD1      LEU  18 -18.133  -3.311  -4.626
  135   2HD1  LEU  18          2HD1      LEU  18 -17.221  -3.717  -6.094
  136   3HD1  LEU  18          3HD1      LEU  18 -17.738  -4.995  -4.973
  137   1HD2  LEU  18          1HD2      LEU  18 -14.116  -4.784  -4.248
  138   2HD2  LEU  18          2HD2      LEU  18 -15.438  -5.852  -4.737
  139   3HD2  LEU  18          3HD2      LEU  18 -14.824  -4.626  -5.870
  140    H    ASP  19           H        ASP  19 -18.441  -2.207  -2.633
  141    HA   ASP  19           HA       ASP  19 -19.302  -2.535  -0.601
  142   1HB   ASP  19          HB2       ASP  19 -18.086  -4.611  -1.022
  143   2HB   ASP  19          HB3       ASP  19 -16.674  -3.977  -0.173
  144    H    GLY  20           H        GLY  20 -18.683  -0.025  -0.631
  145   1HA   GLY  20          HA2       GLY  20 -18.451   1.802   0.700
  146   2HA   GLY  20          HA3       GLY  20 -18.597   0.698   2.077
  147    H    THR  21           H        THR  21 -15.912   0.285  -0.171
  148    HA   THR  21           HA       THR  21 -13.990   1.500   1.748
  149    HB   THR  21           HB       THR  21 -13.794  -1.218   0.364
  150    HG1  THR  21           HG1      THR  21 -15.368  -1.316   1.933
  151   1HG2  THR  21          1HG2      THR  21 -11.951  -1.632   1.975
  152   2HG2  THR  21          2HG2      THR  21 -11.590  -0.305   0.871
  153   3HG2  THR  21          3HG2      THR  21 -12.080   0.050   2.543
  154    H    LYS  22           H        LYS  22 -12.156   2.412   0.694
  155    HA   LYS  22           HA       LYS  22 -12.455   2.827  -2.231
  156   1HB   LYS  22          HB2       LYS  22 -12.172   4.792  -0.725
  157   2HB   LYS  22          HB3       LYS  22 -10.587   4.171  -0.232
  158   1HG   LYS  22          HG2       LYS  22  -9.723   4.434  -2.506
  159   2HG   LYS  22          HG3       LYS  22 -11.341   4.783  -3.126
  160   1HD   LYS  22          HD2       LYS  22 -10.072   6.827  -2.993
  161   2HD   LYS  22          HD3       LYS  22 -11.401   6.885  -1.826
  162   1HE   LYS  22          HE2       LYS  22  -9.818   6.282   0.000
  163   2HE   LYS  22          HE3       LYS  22  -8.497   6.188  -1.172
  164   1HZ   LYS  22          HZ1       LYS  22 -10.033   8.640  -0.528
  165   2HZ   LYS  22          HZ2       LYS  22  -8.520   8.311  -0.026
  166   3HZ   LYS  22          HZ3       LYS  22  -8.809   8.557  -1.609
  167    H    TRP  23           H        TRP  23 -10.709   2.399  -3.636
  168    HA   TRP  23           HA       TRP  23  -8.696   0.396  -2.754
  169   1HB   TRP  23          HB2       TRP  23 -10.762   0.244  -5.000
  170   2HB   TRP  23          HB3       TRP  23  -9.478  -0.901  -4.797
  171    HD1  TRP  23           HD1      TRP  23 -12.748   0.135  -3.254
  172    HE1  TRP  23           HE1      TRP  23 -13.668  -1.677  -1.717
  173    HE3  TRP  23           HE3      TRP  23  -8.772  -3.081  -3.389
  174    HZ2  TRP  23           HZ2      TRP  23 -12.762  -4.236  -0.662
  175    HZ3  TRP  23           HZ3      TRP  23  -8.826  -5.200  -2.125
  176    HH2  TRP  23           HH2      TRP  23 -10.819  -5.796  -0.762
  177    H    ILE  24           H        ILE  24  -6.738   0.563  -4.066
  178    HA   ILE  24           HA       ILE  24  -6.522   2.715  -6.023
  179    HB   ILE  24           HB       ILE  24  -6.689   3.898  -3.878
  180   1HG1  ILE  24          2HG1      ILE  24  -3.883   4.202  -4.996
  181   2HG1  ILE  24          3HG1      ILE  24  -5.341   4.765  -5.817
  182   1HG2  ILE  24          1HG2      ILE  24  -4.086   2.538  -3.067
  183   2HG2  ILE  24          2HG2      ILE  24  -4.979   3.766  -2.147
  184   3HG2  ILE  24          3HG2      ILE  24  -5.684   2.172  -2.388
  185   1HD1  ILE  24          1HD1      ILE  24  -4.315   5.723  -3.116
  186   2HD1  ILE  24          2HD1      ILE  24  -4.335   6.614  -4.644
  187   3HD1  ILE  24          3HD1      ILE  24  -5.866   6.210  -3.845
  188    H    PHE  25           H        PHE  25  -4.464   2.863  -7.013
  189    HA   PHE  25           HA       PHE  25  -2.917   0.541  -7.425
  190   1HB   PHE  25          HB2       PHE  25  -3.070   2.349  -9.025
  191   2HB   PHE  25          HB3       PHE  25  -2.488   3.517  -7.852
  192    HD1  PHE  25           HD1      PHE  25  -1.235   0.264  -9.341
  193    HD2  PHE  25           HD2      PHE  25  -0.350   4.340  -8.249
  194    HE1  PHE  25           HE1      PHE  25   1.019   0.027 -10.310
  195    HE2  PHE  25           HE2      PHE  25   1.925   4.089  -9.196
  196    HZ   PHE  25           HZ       PHE  25   2.616   1.940 -10.242
  197    H    LYS  26           H        LYS  26  -0.723   0.056  -6.893
  198    HA   LYS  26           HA       LYS  26   0.572   1.677  -4.827
  199   1HB   LYS  26          HB2       LYS  26  -0.634  -0.168  -3.637
  200   2HB   LYS  26          HB3       LYS  26   0.372  -1.336  -4.457
  201   1HG   LYS  26          HG2       LYS  26   1.382   0.850  -2.600
  202   2HG   LYS  26          HG3       LYS  26   1.042  -0.819  -2.137
  203   1HD   LYS  26          HD2       LYS  26   2.767  -1.545  -3.883
  204   2HD   LYS  26          HD3       LYS  26   3.267   0.150  -3.972
  205   1HE   LYS  26          HE2       LYS  26   3.240  -1.568  -1.452
  206   2HE   LYS  26          HE3       LYS  26   4.662  -1.226  -2.438
  207   1HZ   LYS  26          HZ1       LYS  26   4.392   1.132  -1.900
  208   2HZ   LYS  26          HZ2       LYS  26   3.098   0.805  -0.950
  209   3HZ   LYS  26          HZ3       LYS  26   4.570   0.242  -0.551
  210    H    SER  27           H        SER  27   1.195  -1.431  -6.764
  211    HA   SER  27           HA       SER  27   3.104   0.068  -8.372
  212   1HB   SER  27          HB2       SER  27   4.335  -0.497  -6.182
  213   2HB   SER  27          HB3       SER  27   4.204  -2.198  -6.660
  214    HG   SER  27           HG       SER  27   6.176  -1.158  -7.314
  215    H    LYS  28           H        LYS  28   3.944  -1.208 -10.161
  216    HA   LYS  28           HA       LYS  28   3.287  -3.996 -10.350
  217   1HB   LYS  28          HB2       LYS  28   2.162  -3.981 -12.482
  218   2HB   LYS  28          HB3       LYS  28   1.195  -3.101 -11.308
  219   1HG   LYS  28          HG2       LYS  28   1.808  -0.959 -12.292
  220   2HG   LYS  28          HG3       LYS  28   3.032  -1.722 -13.313
  221   1HD   LYS  28          HD2       LYS  28   1.228  -3.041 -14.448
  222   2HD   LYS  28          HD3       LYS  28   0.018  -2.121 -13.537
  223   1HE   LYS  28          HE2       LYS  28   0.567  -0.087 -14.613
  224   2HE   LYS  28          HE3       LYS  28   2.159  -0.664 -15.115
  225   1HZ   LYS  28          HZ1       LYS  28   1.182  -2.035 -16.756
  226   2HZ   LYS  28          HZ2       LYS  28  -0.348  -1.771 -16.240
  227   3HZ   LYS  28          HZ3       LYS  28   0.516  -0.558 -16.939
  228    H    TYR  29           H        TYR  29   4.464  -5.018 -12.167
  229    HA   TYR  29           HA       TYR  29   6.392  -3.408 -13.649
  230   1HB   TYR  29          HB2       TYR  29   8.346  -4.578 -12.900
  231   2HB   TYR  29          HB3       TYR  29   7.583  -3.860 -11.501
  232    HD1  TYR  29           HD1      TYR  29   6.275  -5.352  -9.881
  233    HD2  TYR  29           HD2      TYR  29   8.727  -6.944 -13.056
  234    HE1  TYR  29           HE1      TYR  29   6.355  -7.539  -8.720
  235    HE2  TYR  29           HE2      TYR  29   8.813  -9.128 -11.907
  236    HH   TYR  29           HH       TYR  29   8.171 -10.355 -10.028
  237    H    TYR  30           H        TYR  30   7.410  -4.772 -15.365
  238    HA   TYR  30           HA       TYR  30   5.622  -6.994 -16.175
  239   1HB   TYR  30          HB2       TYR  30   6.134  -5.156 -17.775
  240   2HB   TYR  30          HB3       TYR  30   7.834  -5.612 -17.723
  241    HD1  TYR  30           HD1      TYR  30   8.611  -7.186 -19.330
  242    HD2  TYR  30           HD2      TYR  30   4.416  -7.067 -18.350
  243    HE1  TYR  30           HE1      TYR  30   8.151  -8.803 -21.143
  244    HE2  TYR  30           HE2      TYR  30   3.937  -8.684 -20.165
  245    HH   TYR  30           HH       TYR  30   6.510  -9.981 -22.316
  246    H    ASP  31           H        ASP  31   6.240  -9.046 -15.721
  247    HA   ASP  31           HA       ASP  31   8.969  -9.550 -14.703
  248   1HB   ASP  31          HB2       ASP  31   7.112 -10.379 -13.358
  249   2HB   ASP  31          HB3       ASP  31   6.480 -11.293 -14.734
  250    H    SER  32           H        SER  32   9.828  -9.086 -16.878
  251    HA   SER  32           HA       SER  32   9.221 -10.298 -19.231
  252   1HB   SER  32          HB2       SER  32  12.072  -9.803 -18.315
  253   2HB   SER  32          HB3       SER  32  11.407  -9.647 -19.950
  254    HG   SER  32           HG       SER  32  11.668  -7.622 -18.899
  255    H    SER  33           H        SER  33  10.950 -11.853 -16.539
  256    HA   SER  33           HA       SER  33  12.073 -14.032 -17.939
  257   1HB   SER  33          HB2       SER  33  11.104 -13.955 -15.058
  258   2HB   SER  33          HB3       SER  33  12.385 -14.973 -15.737
  259    HG   SER  33           HG       SER  33  13.199 -13.119 -14.634
  260    H    LYS  34           H        LYS  34   8.718 -13.417 -17.153
  261    HA   LYS  34           HA       LYS  34   8.033 -16.163 -18.105
  262   1HB   LYS  34          HB2       LYS  34   6.700 -14.632 -15.836
  263   2HB   LYS  34          HB3       LYS  34   6.071 -16.108 -16.559
  264   1HG   LYS  34          HG2       LYS  34   8.743 -15.927 -15.111
  265   2HG   LYS  34          HG3       LYS  34   7.228 -16.477 -14.397
  266   1HD   LYS  34          HD2       LYS  34   7.080 -18.306 -16.068
  267   2HD   LYS  34          HD3       LYS  34   8.637 -17.833 -16.748
  268   1HE   LYS  34          HE2       LYS  34   8.170 -18.716 -13.864
  269   2HE   LYS  34          HE3       LYS  34   8.744 -19.763 -15.164
  270   1HZ   LYS  34          HZ1       LYS  34  10.695 -18.320 -15.374
  271   2HZ   LYS  34          HZ2       LYS  34  10.189 -17.403 -14.111
  272   3HZ   LYS  34          HZ3       LYS  34  10.586 -18.964 -13.882
  273    H    GLY  35           H        GLY  35   7.481 -12.717 -18.341
  274   1HA   GLY  35          HA2       GLY  35   6.754 -11.746 -20.286
  275   2HA   GLY  35          HA3       GLY  35   6.124 -13.293 -20.864
  276    H    TYR  36           H        TYR  36   5.354 -11.565 -17.776
  277    HA   TYR  36           HA       TYR  36   2.838 -10.581 -18.821
  278   1HB   TYR  36          HB2       TYR  36   1.536 -11.621 -16.889
  279   2HB   TYR  36          HB3       TYR  36   1.904 -12.639 -18.258
  280    HD1  TYR  36           HD1      TYR  36   2.645 -14.808 -17.844
  281    HD2  TYR  36           HD2      TYR  36   3.319 -11.770 -14.854
  282    HE1  TYR  36           HE1      TYR  36   3.484 -16.533 -16.283
  283    HE2  TYR  36           HE2      TYR  36   4.204 -13.479 -13.306
  284    HH   TYR  36           HH       TYR  36   4.638 -15.748 -12.972
  285    H    TRP  37           H        TRP  37   1.720  -9.229 -17.057
  286    HA   TRP  37           HA       TRP  37   3.771  -7.708 -15.586
  287   1HB   TRP  37          HB2       TRP  37   0.793  -7.345 -16.027
  288   2HB   TRP  37          HB3       TRP  37   1.718  -6.376 -14.899
  289    HD1  TRP  37           HD1      TRP  37   1.338  -6.943 -18.664
  290    HE1  TRP  37           HE1      TRP  37   2.282  -4.941 -19.926
  291    HE3  TRP  37           HE3      TRP  37   3.386  -4.430 -14.717
  292    HZ2  TRP  37           HZ2      TRP  37   3.759  -2.510 -19.294
  293    HZ3  TRP  37           HZ3      TRP  37   4.575  -2.275 -15.072
  294    HH2  TRP  37           HH2      TRP  37   4.758  -1.308 -17.351
  295    H    VAL  38           H        VAL  38   3.634  -7.402 -13.356
  296    HA   VAL  38           HA       VAL  38   2.011  -9.241 -11.719
  297    HB   VAL  38           HB       VAL  38   5.029  -8.791 -11.516
  298   1HG1  VAL  38          1HG1      VAL  38   4.923 -10.504  -9.670
  299   2HG1  VAL  38          2HG1      VAL  38   4.157  -8.973  -9.270
  300   3HG1  VAL  38          3HG1      VAL  38   3.150 -10.363  -9.700
  301   1HG2  VAL  38          1HG2      VAL  38   4.615 -10.383 -13.278
  302   2HG2  VAL  38          2HG2      VAL  38   5.187 -11.274 -11.872
  303   3HG2  VAL  38          3HG2      VAL  38   3.455 -11.277 -12.287
  304    H    GLY  39           H        GLY  39   1.555  -8.189  -9.603
  305   1HA   GLY  39          HA2       GLY  39   2.869  -5.668  -9.028
  306   2HA   GLY  39          HA3       GLY  39   1.214  -5.444  -9.602
  307    H    ILE  40           H        ILE  40   1.796  -4.468  -7.325
  308    HA   ILE  40           HA       ILE  40   0.562  -6.149  -5.207
  309    HB   ILE  40           HB       ILE  40   2.500  -3.797  -4.891
  310   1HG1  ILE  40          2HG1      ILE  40   3.060  -6.724  -4.258
  311   2HG1  ILE  40          3HG1      ILE  40   3.711  -5.844  -5.639
  312   1HG2  ILE  40          1HG2      ILE  40   0.730  -3.976  -3.128
  313   2HG2  ILE  40          2HG2      ILE  40   1.282  -5.626  -2.775
  314   3HG2  ILE  40          3HG2      ILE  40   2.340  -4.231  -2.476
  315   1HD1  ILE  40          1HD1      ILE  40   5.408  -5.914  -3.960
  316   2HD1  ILE  40          2HD1      ILE  40   4.826  -4.241  -4.068
  317   3HD1  ILE  40          3HD1      ILE  40   4.321  -5.287  -2.716
  318    H    TYR  41           H        TYR  41  -1.533  -5.330  -4.994
  319    HA   TYR  41           HA       TYR  41  -2.044  -2.565  -5.981
  320   1HB   TYR  41          HB2       TYR  41  -2.273  -4.995  -7.526
  321   2HB   TYR  41          HB3       TYR  41  -3.896  -4.502  -7.124
  322    HD1  TYR  41           HD1      TYR  41  -1.416  -4.181  -9.562
  323    HD2  TYR  41           HD2      TYR  41  -4.216  -1.779  -7.344
  324    HE1  TYR  41           HE1      TYR  41  -1.517  -2.569 -11.445
  325    HE2  TYR  41           HE2      TYR  41  -4.308  -0.149  -9.218
  326    HH   TYR  41           HH       TYR  41  -3.364   0.497 -11.200
  327    H    GLU  42           H        GLU  42  -3.728  -1.604  -4.845
  328    HA   GLU  42           HA       GLU  42  -5.417  -3.415  -3.192
  329   1HB   GLU  42          HB2       GLU  42  -3.942  -1.694  -2.028
  330   2HB   GLU  42          HB3       GLU  42  -4.952  -0.441  -2.732
  331   1HG   GLU  42          HG2       GLU  42  -6.893  -1.210  -1.505
  332   2HG   GLU  42          HG3       GLU  42  -6.111  -2.739  -1.118
  333    H    VAL  43           H        VAL  43  -5.802  -3.183  -6.022
  334    HA   VAL  43           HA       VAL  43  -8.567  -2.606  -5.876
  335    HB   VAL  43           HB       VAL  43  -8.028  -0.308  -6.299
  336   1HG1  VAL  43          1HG1      VAL  43  -5.859  -0.368  -7.302
  337   2HG1  VAL  43          2HG1      VAL  43  -6.521  -1.095  -8.790
  338   3HG1  VAL  43          3HG1      VAL  43  -6.965   0.553  -8.309
  339   1HG2  VAL  43          1HG2      VAL  43  -9.068  -1.438  -8.907
  340   2HG2  VAL  43          2HG2      VAL  43 -10.025  -1.271  -7.421
  341   3HG2  VAL  43          3HG2      VAL  43  -9.355   0.169  -8.218
  342    H    TRP  44           H        TRP  44  -5.847  -3.207  -8.202
  343    HA   TRP  44           HA       TRP  44  -7.490  -4.417 -10.133
  344   1HB   TRP  44          HB2       TRP  44  -5.141  -3.539 -10.407
  345   2HB   TRP  44          HB3       TRP  44  -4.560  -4.985  -9.586
  346    HD1  TRP  44           HD1      TRP  44  -7.223  -4.937 -12.406
  347    HE1  TRP  44           HE1      TRP  44  -6.310  -6.178 -14.433
  348    HE3  TRP  44           HE3      TRP  44  -2.455  -5.818 -10.752
  349    HZ2  TRP  44           HZ2      TRP  44  -3.850  -7.424 -15.241
  350    HZ3  TRP  44           HZ3      TRP  44  -0.830  -7.016 -12.190
  351    HH2  TRP  44           HH2      TRP  44  -1.516  -7.849 -14.426
  352    H    ASP  45           H        ASP  45  -7.904  -6.613 -10.643
  353    HA   ASP  45           HA       ASP  45  -7.625  -8.594  -8.454
  354   1HB   ASP  45          HB2       ASP  45  -9.601  -7.176  -7.983
  355   2HB   ASP  45          HB3       ASP  45 -10.265  -7.568  -9.570
  356    H    ARG  46           H        ARG  46  -6.230  -8.781 -10.730
  357    HA   ARG  46           HA       ARG  46  -5.724 -10.107 -12.499
  358   1HB   ARG  46          HB2       ARG  46  -6.254 -11.625 -10.389
  359   2HB   ARG  46          HB3       ARG  46  -7.529 -12.271 -11.389
  360   1HG   ARG  46          HG2       ARG  46  -4.588 -12.166 -12.233
  361   2HG   ARG  46          HG3       ARG  46  -5.270 -13.452 -11.267
  362   1HD   ARG  46          HD2       ARG  46  -5.234 -14.350 -13.382
  363   2HD   ARG  46          HD3       ARG  46  -6.930 -13.913 -13.129
  364    HE   ARG  46           HE       ARG  46  -5.615 -11.755 -14.438
  365   1HH1  ARG  46          1HH2      ARG  46  -6.245 -15.168 -15.183
  366   2HH1  ARG  46          2HH2      ARG  46  -6.424 -14.907 -16.877
  367   1HH2  ARG  46          1HH1      ARG  46  -6.203 -11.368 -16.593
  368   2HH2  ARG  46          2HH1      ARG  46  -6.287 -12.687 -17.726
  369    H    LYS  47           H        LYS  47  -7.283  -8.294 -13.406
  370    HA   LYS  47           HA       LYS  47  -9.651  -9.083 -14.806
  371   1HB   LYS  47          HB2       LYS  47  -8.842  -6.703 -14.533
  372   2HB   LYS  47          HB3       LYS  47  -7.539  -7.064 -15.691
  373   1HG   LYS  47          HG2       LYS  47  -9.217  -7.598 -17.426
  374   2HG   LYS  47          HG3       LYS  47 -10.526  -7.308 -16.263
  375   1HD   LYS  47          HD2       LYS  47  -9.787  -4.934 -16.057
  376   2HD   LYS  47          HD3       LYS  47  -8.511  -5.244 -17.259
  377   1HE   LYS  47          HE2       LYS  47 -10.238  -5.896 -18.923
  378   2HE   LYS  47          HE3       LYS  47 -11.507  -5.612 -17.727
  379   1HZ   LYS  47          HZ1       LYS  47 -11.271  -3.733 -19.202
  380   2HZ   LYS  47          HZ2       LYS  47 -10.861  -3.269 -17.697
  381   3HZ   LYS  47          HZ3       LYS  47  -9.701  -3.534 -18.825
  Start of MODEL    4
    1   1H    ALA   1          H1        ALA   1  -6.903  -3.522   3.551
    2   2H    ALA   1          H2        ALA   1  -6.218  -2.905   2.184
    3   3H    ALA   1          H3        ALA   1  -7.583  -3.808   2.078
    4    HA   ALA   1           HA       ALA   1  -4.959  -4.762   2.968
    5   1HB   ALA   1          HB1       ALA   1  -7.529  -6.340   2.482
    6   2HB   ALA   1          HB2       ALA   1  -5.938  -7.027   2.867
    7   3HB   ALA   1          HB3       ALA   1  -6.773  -6.018   4.060
    8    H    ILE   2           H        ILE   2  -3.549  -5.082   1.337
    9    HA   ILE   2           HA       ILE   2  -4.259  -4.666  -1.397
   10    HB   ILE   2           HB       ILE   2  -1.885  -5.617  -1.795
   11   1HG1  ILE   2          2HG1      ILE   2  -0.308  -5.487   0.036
   12   2HG1  ILE   2          3HG1      ILE   2  -1.586  -5.205   1.210
   13   1HG2  ILE   2          1HG2      ILE   2  -0.886  -3.467  -1.032
   14   2HG2  ILE   2          2HG2      ILE   2  -2.387  -3.295  -1.933
   15   3HG2  ILE   2          3HG2      ILE   2  -2.394  -3.107  -0.162
   16   1HD1  ILE   2          1HD1      ILE   2  -1.314  -7.749  -0.454
   17   2HD1  ILE   2          2HD1      ILE   2  -0.664  -7.537   1.186
   18   3HD1  ILE   2          3HD1      ILE   2  -2.410  -7.481   0.931
   19    H    LYS   3           H        LYS   3  -3.768  -6.092  -3.128
   20    HA   LYS   3           HA       LYS   3  -4.236  -8.997  -2.768
   21   1HB   LYS   3          HB2       LYS   3  -5.228  -7.069  -4.936
   22   2HB   LYS   3          HB3       LYS   3  -5.165  -8.815  -5.165
   23   1HG   LYS   3          HG2       LYS   3  -6.767  -9.209  -3.406
   24   2HG   LYS   3          HG3       LYS   3  -6.774  -7.498  -2.936
   25   1HD   LYS   3          HD2       LYS   3  -7.757  -6.821  -5.023
   26   2HD   LYS   3          HD3       LYS   3  -7.575  -8.427  -5.731
   27   1HE   LYS   3          HE2       LYS   3  -9.285  -7.900  -3.260
   28   2HE   LYS   3          HE3       LYS   3  -9.912  -7.743  -4.905
   29   1HZ   LYS   3          HZ1       LYS   3 -10.365  -9.931  -4.025
   30   2HZ   LYS   3          HZ2       LYS   3  -9.365 -10.046  -5.319
   31   3HZ   LYS   3          HZ3       LYS   3  -8.781 -10.242  -3.790
   32    H    LEU   4           H        LEU   4  -3.130 -10.111  -4.660
   33    HA   LEU   4           HA       LEU   4  -0.785  -8.645  -5.758
   34   1HB   LEU   4          HB2       LEU   4  -0.808 -11.490  -4.648
   35   2HB   LEU   4          HB3       LEU   4   0.527 -10.738  -5.512
   36    HG   LEU   4           HG       LEU   4  -0.541  -9.856  -2.789
   37   1HD1  LEU   4          1HD1      LEU   4   0.616 -12.031  -2.726
   38   2HD1  LEU   4          2HD1      LEU   4   2.027 -11.316  -3.537
   39   3HD1  LEU   4          3HD1      LEU   4   1.557 -10.775  -1.908
   40   1HD2  LEU   4          1HD2      LEU   4   0.408  -7.933  -3.924
   41   2HD2  LEU   4          2HD2      LEU   4   1.546  -8.474  -2.696
   42   3HD2  LEU   4          3HD2      LEU   4   1.844  -8.861  -4.408
   43    H    VAL   5           H        VAL   5  -0.521  -9.127  -7.964
   44    HA   VAL   5           HA       VAL   5  -2.480 -11.025  -9.156
   45    HB   VAL   5           HB       VAL   5  -2.150  -8.177 -10.156
   46   1HG1  VAL   5          1HG1      VAL   5  -3.143  -9.784 -11.743
   47   2HG1  VAL   5          2HG1      VAL   5  -4.323 -10.295 -10.509
   48   3HG1  VAL   5          3HG1      VAL   5  -4.374  -8.659 -11.199
   49   1HG2  VAL   5          1HG2      VAL   5  -4.299  -9.103  -8.201
   50   2HG2  VAL   5          2HG2      VAL   5  -3.066  -7.850  -7.912
   51   3HG2  VAL   5          3HG2      VAL   5  -4.317  -7.580  -9.114
   52    H    GLN   6           H        GLN   6  -1.912 -11.742 -11.245
   53    HA   GLN   6           HA       GLN   6   0.570 -10.826 -12.497
   54   1HB   GLN   6          HB2       GLN   6   0.085 -13.787 -11.909
   55   2HB   GLN   6          HB3       GLN   6   1.442 -13.077 -12.782
   56   1HG   GLN   6          HG2       GLN   6   2.080 -11.903 -10.626
   57   2HG   GLN   6          HG3       GLN   6   0.839 -12.840  -9.803
   58   1HE2  GLN   6          2HE2      GLN   6   4.106 -12.792 -10.284
   59   2HE2  GLN   6          1HE2      GLN   6   4.446 -14.502 -10.235
   60    H    SER   7           H        SER   7  -0.167 -10.405 -14.596
   61    HA   SER   7           HA       SER   7  -1.849 -12.353 -15.976
   62   1HB   SER   7          HB2       SER   7  -2.862  -9.496 -15.787
   63   2HB   SER   7          HB3       SER   7  -3.680 -10.884 -16.492
   64    HG   SER   7           HG       SER   7  -4.403 -10.188 -14.362
   65    HA   PRO   8           HA       PRO   8   0.749 -10.727 -19.136
   66   1HB   PRO   8          HB2       PRO   8  -0.594 -11.263 -21.478
   67   2HB   PRO   8          HB3       PRO   8   0.182 -12.512 -20.456
   68   1HG   PRO   8          HG2       PRO   8  -2.735 -11.677 -20.487
   69   2HG   PRO   8          HG3       PRO   8  -2.056 -13.336 -20.531
   70   1HD   PRO   8          HD2       PRO   8  -2.931 -12.226 -18.214
   71   2HD   PRO   8          HD3       PRO   8  -1.468 -13.255 -18.240
   72    H    ASN   9           H        ASN   9  -2.566  -9.467 -19.009
   73    HA   ASN   9           HA       ASN   9  -2.063  -7.438 -21.007
   74   1HB   ASN   9          HB2       ASN   9  -4.318  -6.753 -20.688
   75   2HB   ASN   9          HB3       ASN   9  -4.268  -8.507 -20.752
   76   1HD2  ASN   9          2HD2      ASN   9  -6.569  -7.683 -19.800
   77   2HD2  ASN   9          1HD2      ASN   9  -6.651  -7.753 -18.057
   78    H    GLY  10           H        GLY  10  -1.572  -7.498 -17.557
   79   1HA   GLY  10          HA2       GLY  10  -1.104  -5.878 -16.006
   80   2HA   GLY  10          HA3       GLY  10  -0.307  -5.016 -17.333
   81    H    ASN  11           H        ASN  11  -3.779  -5.752 -16.741
   82    HA   ASN  11           HA       ASN  11  -4.665  -3.232 -17.732
   83   1HB   ASN  11          HB2       ASN  11  -6.064  -5.186 -17.884
   84   2HB   ASN  11          HB3       ASN  11  -6.084  -5.367 -16.126
   85   1HD2  ASN  11          2HD2      ASN  11  -8.345  -5.189 -15.946
   86   2HD2  ASN  11          1HD2      ASN  11  -9.206  -3.679 -16.251
   87    H    PHE  12           H        PHE  12  -3.356  -1.754 -16.515
   88    HA   PHE  12           HA       PHE  12  -3.504  -1.237 -13.785
   89   1HB   PHE  12          HB2       PHE  12  -1.843  -0.227 -15.178
   90   2HB   PHE  12          HB3       PHE  12  -3.047   0.521 -16.213
   91    HD1  PHE  12           HD1      PHE  12  -1.377   0.736 -12.885
   92    HD2  PHE  12           HD2      PHE  12  -4.049   2.644 -15.686
   93    HE1  PHE  12           HE1      PHE  12  -1.196   2.858 -11.617
   94    HE2  PHE  12           HE2      PHE  12  -3.847   4.767 -14.425
   95    HZ   PHE  12           HZ       PHE  12  -2.429   4.879 -12.382
   96    H    ALA  13           H        ALA  13  -5.181  -0.691 -12.517
   97    HA   ALA  13           HA       ALA  13  -7.697   0.260 -13.750
   98   1HB   ALA  13          HB1       ALA  13  -8.725  -0.571 -11.684
   99   2HB   ALA  13          HB2       ALA  13  -7.699  -1.817 -12.417
  100   3HB   ALA  13          HB3       ALA  13  -7.124  -0.908 -10.998
  101    H    ALA  14           H        ALA  14  -5.136   1.693 -12.087
  102    HA   ALA  14           HA       ALA  14  -4.705   3.406 -10.774
  103   1HB   ALA  14          HB1       ALA  14  -5.862   5.501 -11.113
  104   2HB   ALA  14          HB2       ALA  14  -5.610   4.681 -12.664
  105   3HB   ALA  14          HB3       ALA  14  -7.216   4.677 -11.908
  106    H    SER  15           H        SER  15  -8.323   3.173 -10.369
  107    HA   SER  15           HA       SER  15  -8.117   2.530  -7.582
  108   1HB   SER  15          HB2       SER  15  -9.208   4.735  -6.826
  109   2HB   SER  15          HB3       SER  15  -7.480   4.775  -7.178
  110    HG   SER  15           HG       SER  15  -8.575   6.548  -8.106
  111    H    PHE  16           H        PHE  16 -10.301   2.575  -6.523
  112    HA   PHE  16           HA       PHE  16 -12.682   2.708  -8.162
  113   1HB   PHE  16          HB2       PHE  16 -11.629   0.467  -8.779
  114   2HB   PHE  16          HB3       PHE  16 -11.764   0.007  -7.087
  115    HD1  PHE  16           HD1      PHE  16 -13.497  -1.511  -6.684
  116    HD2  PHE  16           HD2      PHE  16 -14.016   1.488  -9.750
  117    HE1  PHE  16           HE1      PHE  16 -15.737  -2.433  -7.218
  118    HE2  PHE  16           HE2      PHE  16 -16.264   0.574 -10.257
  119    HZ   PHE  16           HZ       PHE  16 -17.129  -1.389  -8.994
  120    H    VAL  17           H        VAL  17 -14.553   1.674  -6.610
  121    HA   VAL  17           HA       VAL  17 -13.887   1.813  -3.787
  122    HB   VAL  17           HB       VAL  17 -14.383   4.155  -4.326
  123   1HG1  VAL  17          1HG1      VAL  17 -16.583   4.935  -5.002
  124   2HG1  VAL  17          2HG1      VAL  17 -15.923   3.870  -6.247
  125   3HG1  VAL  17          3HG1      VAL  17 -17.179   3.271  -5.142
  126   1HG2  VAL  17          1HG2      VAL  17 -16.090   4.576  -2.619
  127   2HG2  VAL  17          2HG2      VAL  17 -16.557   2.863  -2.637
  128   3HG2  VAL  17          3HG2      VAL  17 -14.934   3.350  -2.098
  129    H    LEU  18           H        LEU  18 -15.188   0.389  -2.640
  130    HA   LEU  18           HA       LEU  18 -17.463  -0.944  -3.969
  131   1HB   LEU  18          HB2       LEU  18 -15.501  -2.179  -4.805
  132   2HB   LEU  18          HB3       LEU  18 -14.850  -2.296  -3.176
  133    HG   LEU  18           HG       LEU  18 -16.764  -3.738  -2.494
  134   1HD1  LEU  18          1HD1      LEU  18 -17.509  -3.625  -5.453
  135   2HD1  LEU  18          2HD1      LEU  18 -18.194  -4.745  -4.257
  136   3HD1  LEU  18          3HD1      LEU  18 -18.490  -3.014  -4.103
  137   1HD2  LEU  18          1HD2      LEU  18 -14.637  -4.713  -3.257
  138   2HD2  LEU  18          2HD2      LEU  18 -16.009  -5.734  -3.706
  139   3HD2  LEU  18          3HD2      LEU  18 -15.224  -4.715  -4.934
  140    H    ASP  19           H        ASP  19 -18.946  -1.243  -2.424
  141    HA   ASP  19           HA       ASP  19 -19.988  -1.192  -0.438
  142   1HB   ASP  19          HB2       ASP  19 -19.359  -3.537  -0.784
  143   2HB   ASP  19          HB3       ASP  19 -17.896  -3.297   0.175
  144    H    GLY  20           H        GLY  20 -18.502   1.029  -0.486
  145   1HA   GLY  20          HA2       GLY  20 -18.025   2.738   0.947
  146   2HA   GLY  20          HA3       GLY  20 -18.341   1.657   2.310
  147    H    THR  21           H        THR  21 -15.912   0.458   0.135
  148    HA   THR  21           HA       THR  21 -13.695   1.520   1.834
  149    HB   THR  21           HB       THR  21 -13.927  -1.166   0.402
  150    HG1  THR  21           HG1      THR  21 -15.326  -1.041   2.160
  151   1HG2  THR  21          1HG2      THR  21 -11.967  -1.803   1.777
  152   2HG2  THR  21          2HG2      THR  21 -11.592  -0.479   0.671
  153   3HG2  THR  21          3HG2      THR  21 -11.860  -0.136   2.396
  154    H    LYS  22           H        LYS  22 -12.130   2.611   0.665
  155    HA   LYS  22           HA       LYS  22 -12.474   2.829  -2.270
  156   1HB   LYS  22          HB2       LYS  22 -12.168   4.863  -0.828
  157   2HB   LYS  22          HB3       LYS  22 -10.538   4.296  -0.425
  158   1HG   LYS  22          HG2       LYS  22  -9.866   4.450  -2.784
  159   2HG   LYS  22          HG3       LYS  22 -11.533   4.828  -3.266
  160   1HD   LYS  22          HD2       LYS  22 -11.431   6.935  -1.971
  161   2HD   LYS  22          HD3       LYS  22  -9.766   6.553  -1.475
  162   1HE   LYS  22          HE2       LYS  22  -9.058   6.537  -3.853
  163   2HE   LYS  22          HE3       LYS  22 -10.716   6.885  -4.359
  164   1HZ   LYS  22          HZ1       LYS  22 -10.559   9.009  -3.198
  165   2HZ   LYS  22          HZ2       LYS  22  -9.029   8.690  -2.721
  166   3HZ   LYS  22          HZ3       LYS  22  -9.369   8.887  -4.301
  167    H    TRP  23           H        TRP  23 -10.717   2.373  -3.691
  168    HA   TRP  23           HA       TRP  23  -8.652   0.463  -2.729
  169   1HB   TRP  23          HB2       TRP  23 -10.747   0.137  -4.926
  170   2HB   TRP  23          HB3       TRP  23  -9.388  -0.921  -4.739
  171    HD1  TRP  23           HD1      TRP  23 -12.679  -0.073  -3.108
  172    HE1  TRP  23           HE1      TRP  23 -13.425  -1.926  -1.536
  173    HE3  TRP  23           HE3      TRP  23  -8.547  -3.084  -3.394
  174    HZ2  TRP  23           HZ2      TRP  23 -12.360  -4.433  -0.520
  175    HZ3  TRP  23           HZ3      TRP  23  -8.440  -5.195  -2.132
  176    HH2  TRP  23           HH2      TRP  23 -10.342  -5.890  -0.688
  177    H    ILE  24           H        ILE  24  -6.701   0.636  -4.043
  178    HA   ILE  24           HA       ILE  24  -6.545   2.656  -6.140
  179    HB   ILE  24           HB       ILE  24  -6.710   3.989  -4.088
  180   1HG1  ILE  24          2HG1      ILE  24  -3.903   4.234  -5.218
  181   2HG1  ILE  24          3HG1      ILE  24  -5.362   4.725  -6.085
  182   1HG2  ILE  24          1HG2      ILE  24  -5.694   2.384  -2.476
  183   2HG2  ILE  24          2HG2      ILE  24  -4.099   2.707  -3.185
  184   3HG2  ILE  24          3HG2      ILE  24  -4.994   3.993  -2.354
  185   1HD1  ILE  24          1HD1      ILE  24  -4.371   6.661  -5.047
  186   2HD1  ILE  24          2HD1      ILE  24  -5.903   6.307  -4.225
  187   3HD1  ILE  24          3HD1      ILE  24  -4.352   5.884  -3.457
  188    H    PHE  25           H        PHE  25  -4.461   2.781  -7.130
  189    HA   PHE  25           HA       PHE  25  -2.913   0.472  -7.459
  190   1HB   PHE  25          HB2       PHE  25  -2.994   2.301  -9.056
  191   2HB   PHE  25          HB3       PHE  25  -2.362   3.433  -7.872
  192    HD1  PHE  25           HD1      PHE  25  -1.397   0.244  -9.630
  193    HD2  PHE  25           HD2      PHE  25  -0.061   3.960  -7.906
  194    HE1  PHE  25           HE1      PHE  25   0.877  -0.201 -10.460
  195    HE2  PHE  25           HE2      PHE  25   2.228   3.517  -8.747
  196    HZ   PHE  25           HZ       PHE  25   2.707   1.449 -10.042
  197    H    LYS  26           H        LYS  26  -0.714  -0.019  -6.893
  198    HA   LYS  26           HA       LYS  26   0.496   1.517  -4.707
  199   1HB   LYS  26          HB2       LYS  26  -0.807  -0.402  -3.689
  200   2HB   LYS  26          HB3       LYS  26   0.306  -1.505  -4.464
  201   1HG   LYS  26          HG2       LYS  26   1.011   0.589  -2.374
  202   2HG   LYS  26          HG3       LYS  26   0.839  -1.152  -2.120
  203   1HD   LYS  26          HD2       LYS  26   2.717  -1.476  -3.818
  204   2HD   LYS  26          HD3       LYS  26   2.981   0.283  -3.712
  205   1HE   LYS  26          HE2       LYS  26   3.318   0.030  -1.240
  206   2HE   LYS  26          HE3       LYS  26   3.206  -1.725  -1.446
  207   1HZ   LYS  26          HZ1       LYS  26   5.112  -1.533  -3.009
  208   2HZ   LYS  26          HZ2       LYS  26   5.243   0.051  -2.659
  209   3HZ   LYS  26          HZ3       LYS  26   5.501  -1.055  -1.491
  210    H    SER  27           H        SER  27   1.215  -1.539  -6.664
  211    HA   SER  27           HA       SER  27   3.404  -0.074  -8.005
  212   1HB   SER  27          HB2       SER  27   3.877  -2.615  -6.379
  213   2HB   SER  27          HB3       SER  27   5.071  -1.772  -7.370
  214    HG   SER  27           HG       SER  27   4.904   0.004  -5.947
  215    H    LYS  28           H        LYS  28   4.132  -1.150  -9.949
  216    HA   LYS  28           HA       LYS  28   3.169  -3.839 -10.506
  217   1HB   LYS  28          HB2       LYS  28   2.222  -3.357 -12.677
  218   2HB   LYS  28          HB3       LYS  28   1.326  -2.504 -11.427
  219   1HG   LYS  28          HG2       LYS  28   2.553  -0.392 -12.026
  220   2HG   LYS  28          HG3       LYS  28   3.400  -1.269 -13.303
  221   1HD   LYS  28          HD2       LYS  28   1.270  -1.740 -14.451
  222   2HD   LYS  28          HD3       LYS  28   0.372  -1.006 -13.121
  223   1HE   LYS  28          HE2       LYS  28   0.443   0.591 -14.902
  224   2HE   LYS  28          HE3       LYS  28   1.456   1.190 -13.590
  225   1HZ   LYS  28          HZ1       LYS  28   2.461  -0.147 -16.044
  226   2HZ   LYS  28          HZ2       LYS  28   2.488   1.458 -15.768
  227   3HZ   LYS  28          HZ3       LYS  28   3.402   0.476 -14.850
  228    H    TYR  29           H        TYR  29   4.421  -4.868 -12.196
  229    HA   TYR  29           HA       TYR  29   6.479  -3.368 -13.583
  230   1HB   TYR  29          HB2       TYR  29   8.372  -4.617 -12.807
  231   2HB   TYR  29          HB3       TYR  29   7.625  -3.848 -11.429
  232    HD1  TYR  29           HD1      TYR  29   6.275  -5.252  -9.780
  233    HD2  TYR  29           HD2      TYR  29   8.644  -7.001 -12.936
  234    HE1  TYR  29           HE1      TYR  29   6.295  -7.405  -8.564
  235    HE2  TYR  29           HE2      TYR  29   8.669  -9.159 -11.726
  236    HH   TYR  29           HH       TYR  29   7.077  -9.610  -8.539
  237    H    TYR  30           H        TYR  30   7.451  -4.737 -15.299
  238    HA   TYR  30           HA       TYR  30   5.647  -6.948 -16.106
  239   1HB   TYR  30          HB2       TYR  30   6.166  -5.154 -17.739
  240   2HB   TYR  30          HB3       TYR  30   7.873  -5.582 -17.649
  241    HD1  TYR  30           HD1      TYR  30   8.714  -7.238 -19.141
  242    HD2  TYR  30           HD2      TYR  30   4.482  -7.057 -18.355
  243    HE1  TYR  30           HE1      TYR  30   8.327  -8.929 -20.900
  244    HE2  TYR  30           HE2      TYR  30   4.074  -8.752 -20.118
  245    HH   TYR  30           HH       TYR  30   6.735 -10.157 -22.086
  246    H    ASP  31           H        ASP  31   6.252  -8.999 -15.639
  247    HA   ASP  31           HA       ASP  31   8.948  -9.486 -14.528
  248   1HB   ASP  31          HB2       ASP  31   7.030 -10.249 -13.225
  249   2HB   ASP  31          HB3       ASP  31   6.463 -11.233 -14.581
  250    H    SER  32           H        SER  32   9.867  -9.094 -16.687
  251    HA   SER  32           HA       SER  32   9.326 -10.388 -19.016
  252   1HB   SER  32          HB2       SER  32  12.146  -9.858 -18.024
  253   2HB   SER  32          HB3       SER  32  11.538  -9.766 -19.686
  254    HG   SER  32           HG       SER  32  11.767  -7.702 -18.698
  255    H    SER  33           H        SER  33  10.972 -11.842 -16.213
  256    HA   SER  33           HA       SER  33  12.122 -14.073 -17.524
  257   1HB   SER  33          HB2       SER  33  11.151 -13.885 -14.650
  258   2HB   SER  33          HB3       SER  33  12.431 -14.927 -15.291
  259    HG   SER  33           HG       SER  33  13.251 -13.037 -14.259
  260    H    LYS  34           H        LYS  34   8.769 -13.415 -16.769
  261    HA   LYS  34           HA       LYS  34   8.080 -16.223 -17.535
  262   1HB   LYS  34          HB2       LYS  34   6.635 -14.428 -15.555
  263   2HB   LYS  34          HB3       LYS  34   6.065 -16.002 -16.086
  264   1HG   LYS  34          HG2       LYS  34   8.719 -15.697 -14.619
  265   2HG   LYS  34          HG3       LYS  34   7.181 -15.779 -13.786
  266   1HD   LYS  34          HD2       LYS  34   8.105 -17.937 -13.719
  267   2HD   LYS  34          HD3       LYS  34   6.708 -17.994 -14.796
  268   1HE   LYS  34          HE2       LYS  34   8.179 -18.019 -16.761
  269   2HE   LYS  34          HE3       LYS  34   9.601 -17.765 -15.740
  270   1HZ   LYS  34          HZ1       LYS  34   7.868 -20.169 -15.678
  271   2HZ   LYS  34          HZ2       LYS  34   9.346 -20.084 -16.357
  272   3HZ   LYS  34          HZ3       LYS  34   9.190 -19.937 -14.744
  273    H    GLY  35           H        GLY  35   7.590 -12.803 -18.098
  274   1HA   GLY  35          HA2       GLY  35   6.925 -11.965 -20.132
  275   2HA   GLY  35          HA3       GLY  35   6.288 -13.543 -20.614
  276    H    TYR  36           H        TYR  36   5.469 -11.628 -17.646
  277    HA   TYR  36           HA       TYR  36   2.973 -10.714 -18.802
  278   1HB   TYR  36          HB2       TYR  36   1.630 -11.670 -16.858
  279   2HB   TYR  36          HB3       TYR  36   2.043 -12.745 -18.169
  280    HD1  TYR  36           HD1      TYR  36   3.539 -11.702 -14.836
  281    HD2  TYR  36           HD2      TYR  36   2.553 -14.914 -17.544
  282    HE1  TYR  36           HE1      TYR  36   4.334 -13.346 -13.172
  283    HE2  TYR  36           HE2      TYR  36   3.286 -16.564 -15.862
  284    HH   TYR  36           HH       TYR  36   4.139 -16.892 -13.714
  285    H    TRP  37           H        TRP  37   1.785  -9.293 -17.155
  286    HA   TRP  37           HA       TRP  37   3.742  -7.656 -15.685
  287   1HB   TRP  37          HB2       TRP  37   0.780  -7.412 -16.280
  288   2HB   TRP  37          HB3       TRP  37   1.574  -6.414 -15.081
  289    HD1  TRP  37           HD1      TRP  37   1.409  -6.899 -18.862
  290    HE1  TRP  37           HE1      TRP  37   2.440  -4.878 -20.027
  291    HE3  TRP  37           HE3      TRP  37   3.280  -4.498 -14.755
  292    HZ2  TRP  37           HZ2      TRP  37   3.983  -2.526 -19.273
  293    HZ3  TRP  37           HZ3      TRP  37   4.577  -2.395 -15.008
  294    HH2  TRP  37           HH2      TRP  37   4.935  -1.404 -17.261
  295    H    VAL  38           H        VAL  38   3.547  -7.277 -13.468
  296    HA   VAL  38           HA       VAL  38   1.925  -9.104 -11.820
  297    HB   VAL  38           HB       VAL  38   4.928  -8.582 -11.551
  298   1HG1  VAL  38          1HG1      VAL  38   3.022 -10.102  -9.721
  299   2HG1  VAL  38          2HG1      VAL  38   4.791 -10.257  -9.657
  300   3HG1  VAL  38          3HG1      VAL  38   4.034  -8.706  -9.320
  301   1HG2  VAL  38          1HG2      VAL  38   3.407 -11.117 -12.273
  302   2HG2  VAL  38          2HG2      VAL  38   4.582 -10.238 -13.262
  303   3HG2  VAL  38          3HG2      VAL  38   5.129 -11.075 -11.814
  304    H    GLY  39           H        GLY  39   1.460  -8.054  -9.712
  305   1HA   GLY  39          HA2       GLY  39   2.717  -5.510  -9.154
  306   2HA   GLY  39          HA3       GLY  39   1.032  -5.319  -9.652
  307    H    ILE  40           H        ILE  40   1.896  -4.479  -7.293
  308    HA   ILE  40           HA       ILE  40   0.582  -6.219  -5.269
  309    HB   ILE  40           HB       ILE  40   2.433  -3.819  -4.827
  310   1HG1  ILE  40          2HG1      ILE  40   3.067  -6.750  -4.276
  311   2HG1  ILE  40          3HG1      ILE  40   3.738  -5.794  -5.598
  312   1HG2  ILE  40          1HG2      ILE  40   0.619  -4.106  -3.128
  313   2HG2  ILE  40          2HG2      ILE  40   1.209  -5.746  -2.797
  314   3HG2  ILE  40          3HG2      ILE  40   2.215  -4.327  -2.434
  315   1HD1  ILE  40          1HD1      ILE  40   4.228  -5.339  -2.636
  316   2HD1  ILE  40          2HD1      ILE  40   5.378  -5.875  -3.868
  317   3HD1  ILE  40          3HD1      ILE  40   4.741  -4.220  -3.926
  318    H    TYR  41           H        TYR  41  -1.514  -5.398  -4.942
  319    HA   TYR  41           HA       TYR  41  -2.059  -2.660  -5.993
  320   1HB   TYR  41          HB2       TYR  41  -2.377  -5.151  -7.425
  321   2HB   TYR  41          HB3       TYR  41  -3.975  -4.612  -6.984
  322    HD1  TYR  41           HD1      TYR  41  -1.644  -4.468  -9.544
  323    HD2  TYR  41           HD2      TYR  41  -4.179  -1.849  -7.253
  324    HE1  TYR  41           HE1      TYR  41  -1.795  -2.923 -11.485
  325    HE2  TYR  41           HE2      TYR  41  -4.307  -0.284  -9.177
  326    HH   TYR  41           HH       TYR  41  -3.505   0.225 -11.244
  327    H    GLU  42           H        GLU  42  -3.605  -1.626  -4.761
  328    HA   GLU  42           HA       GLU  42  -5.331  -3.361  -3.068
  329   1HB   GLU  42          HB2       GLU  42  -3.816  -1.608  -1.958
  330   2HB   GLU  42          HB3       GLU  42  -4.872  -0.384  -2.653
  331   1HG   GLU  42          HG2       GLU  42  -6.775  -1.214  -1.397
  332   2HG   GLU  42          HG3       GLU  42  -5.934  -2.711  -1.010
  333    H    VAL  43           H        VAL  43  -5.736  -3.216  -5.881
  334    HA   VAL  43           HA       VAL  43  -8.492  -2.622  -5.691
  335    HB   VAL  43           HB       VAL  43  -7.986  -0.354  -6.267
  336   1HG1  VAL  43          1HG1      VAL  43  -5.839  -0.449  -7.299
  337   2HG1  VAL  43          2HG1      VAL  43  -6.520  -1.261  -8.739
  338   3HG1  VAL  43          3HG1      VAL  43  -6.973   0.403  -8.333
  339   1HG2  VAL  43          1HG2      VAL  43  -9.358  -0.012  -8.183
  340   2HG2  VAL  43          2HG2      VAL  43  -9.055  -1.649  -8.787
  341   3HG2  VAL  43          3HG2      VAL  43  -9.987  -1.417  -7.295
  342    H    TRP  44           H        TRP  44  -5.875  -3.329  -8.114
  343    HA   TRP  44           HA       TRP  44  -7.677  -4.545  -9.881
  344   1HB   TRP  44          HB2       TRP  44  -5.385  -3.663 -10.397
  345   2HB   TRP  44          HB3       TRP  44  -4.706  -5.087  -9.616
  346    HD1  TRP  44           HD1      TRP  44  -7.643  -5.182 -12.152
  347    HE1  TRP  44           HE1      TRP  44  -6.937  -6.487 -14.218
  348    HE3  TRP  44           HE3      TRP  44  -2.696  -5.786 -11.016
  349    HZ2  TRP  44           HZ2      TRP  44  -4.472  -7.621 -15.276
  350    HZ3  TRP  44           HZ3      TRP  44  -1.164  -6.896 -12.611
  351    HH2  TRP  44           HH2      TRP  44  -2.033  -7.812 -14.742
  352    H    ASP  45           H        ASP  45  -8.197  -6.660 -10.329
  353    HA   ASP  45           HA       ASP  45  -7.550  -8.826  -8.413
  354   1HB   ASP  45          HB2       ASP  45  -9.521  -7.561  -7.562
  355   2HB   ASP  45          HB3       ASP  45 -10.353  -7.834  -9.093
  356    H    ARG  46           H        ARG  46  -6.507  -8.574 -10.896
  357    HA   ARG  46           HA       ARG  46  -6.382  -9.123 -13.042
  358   1HB   ARG  46          HB2       ARG  46  -6.520 -11.443 -13.622
  359   2HB   ARG  46          HB3       ARG  46  -5.714 -11.198 -12.084
  360   1HG   ARG  46          HG2       ARG  46  -7.617 -12.062 -10.851
  361   2HG   ARG  46          HG3       ARG  46  -8.614 -12.087 -12.313
  362   1HD   ARG  46          HD2       ARG  46  -7.904 -14.331 -11.796
  363   2HD   ARG  46          HD3       ARG  46  -7.154 -13.825 -13.302
  364    HE   ARG  46           HE       ARG  46  -5.875 -14.343 -10.691
  365   1HH1  ARG  46          1HH1      ARG  46  -5.370 -13.188 -14.021
  366   2HH1  ARG  46          2HH1      ARG  46  -3.653 -13.087 -13.839
  367   1HH2  ARG  46          1HH2      ARG  46  -3.542 -14.502 -10.637
  368   2HH2  ARG  46          2HH2      ARG  46  -2.638 -14.043 -12.056
  369    H    LYS  47           H        LYS  47  -8.758  -7.689 -12.508
  370    HA   LYS  47           HA       LYS  47 -10.824  -8.520 -14.354
  371   1HB   LYS  47          HB2       LYS  47 -11.138  -6.740 -12.636
  372   2HB   LYS  47          HB3       LYS  47  -9.946  -5.727 -13.474
  373   1HG   LYS  47          HG2       LYS  47 -11.370  -5.690 -15.492
  374   2HG   LYS  47          HG3       LYS  47 -12.553  -6.741 -14.705
  375   1HD   LYS  47          HD2       LYS  47 -11.775  -3.945 -13.757
  376   2HD   LYS  47          HD3       LYS  47 -13.196  -4.336 -14.739
  377   1HE   LYS  47          HE2       LYS  47 -14.024  -5.838 -12.920
  378   2HE   LYS  47          HE3       LYS  47 -12.644  -5.370 -11.920
  379   1HZ   LYS  47          HZ1       LYS  47 -14.603  -4.080 -11.377
  380   2HZ   LYS  47          HZ2       LYS  47 -13.464  -3.083 -11.981
  381   3HZ   LYS  47          HZ3       LYS  47 -14.744  -3.524 -12.900
  Start of MODEL    5
    1   1H    ALA   1          H1        ALA   1  -8.083  -5.625   1.712
    2   2H    ALA   1          H2        ALA   1  -7.847  -4.892   3.166
    3   3H    ALA   1          H3        ALA   1  -7.653  -4.051   1.770
    4    HA   ALA   1           HA       ALA   1  -5.522  -4.570   2.673
    5   1HB   ALA   1          HB1       ALA   1  -4.791  -6.920   2.861
    6   2HB   ALA   1          HB2       ALA   1  -6.175  -6.612   3.921
    7   3HB   ALA   1          HB3       ALA   1  -6.404  -7.482   2.385
    8    H    ILE   2           H        ILE   2  -3.678  -5.149   1.279
    9    HA   ILE   2           HA       ILE   2  -4.177  -4.831  -1.521
   10    HB   ILE   2           HB       ILE   2  -1.758  -5.533  -1.757
   11   1HG1  ILE   2          2HG1      ILE   2  -1.672  -5.439   1.290
   12   2HG1  ILE   2          3HG1      ILE   2  -1.728  -6.946   0.374
   13   1HG2  ILE   2          1HG2      ILE   2  -0.915  -3.413  -0.861
   14   2HG2  ILE   2          2HG2      ILE   2  -2.497  -3.202  -1.600
   15   3HG2  ILE   2          3HG2      ILE   2  -2.354  -3.247   0.171
   16   1HD1  ILE   2          1HD1      ILE   2   0.558  -6.410   1.022
   17   2HD1  ILE   2          2HD1      ILE   2   0.382  -6.406  -0.740
   18   3HD1  ILE   2          3HD1      ILE   2   0.485  -4.867   0.155
   19    H    LYS   3           H        LYS   3  -3.746  -6.257  -3.198
   20    HA   LYS   3           HA       LYS   3  -3.893  -9.189  -2.677
   21   1HB   LYS   3          HB2       LYS   3  -5.177  -7.451  -4.834
   22   2HB   LYS   3          HB3       LYS   3  -4.687  -9.092  -5.207
   23   1HG   LYS   3          HG2       LYS   3  -7.012  -9.082  -4.696
   24   2HG   LYS   3          HG3       LYS   3  -6.135 -10.012  -3.478
   25   1HD   LYS   3          HD2       LYS   3  -6.391  -8.199  -1.845
   26   2HD   LYS   3          HD3       LYS   3  -7.050  -7.128  -3.088
   27   1HE   LYS   3          HE2       LYS   3  -8.862  -7.953  -1.724
   28   2HE   LYS   3          HE3       LYS   3  -9.010  -8.626  -3.348
   29   1HZ   LYS   3          HZ1       LYS   3  -8.094 -10.708  -2.502
   30   2HZ   LYS   3          HZ2       LYS   3  -7.907 -10.075  -1.003
   31   3HZ   LYS   3          HZ3       LYS   3  -9.396 -10.284  -1.624
   32    H    LEU   4           H        LEU   4  -2.652 -10.357  -4.342
   33    HA   LEU   4           HA       LEU   4  -0.450  -8.797  -5.613
   34   1HB   LEU   4          HB2       LEU   4  -0.357 -11.668  -4.580
   35   2HB   LEU   4          HB3       LEU   4   0.924 -10.839  -5.460
   36    HG   LEU   4           HG       LEU   4  -0.093 -10.117  -2.672
   37   1HD1  LEU   4          1HD1      LEU   4   2.099 -10.908  -1.911
   38   2HD1  LEU   4          2HD1      LEU   4   1.227 -12.198  -2.751
   39   3HD1  LEU   4          3HD1      LEU   4   2.547 -11.341  -3.576
   40   1HD2  LEU   4          1HD2      LEU   4   0.657  -8.078  -3.768
   41   2HD2  LEU   4          2HD2      LEU   4   1.881  -8.578  -2.604
   42   3HD2  LEU   4          3HD2      LEU   4   2.138  -8.881  -4.340
   43    H    VAL   5           H        VAL   5  -0.285  -9.214  -7.826
   44    HA   VAL   5           HA       VAL   5  -2.360 -11.022  -8.982
   45    HB   VAL   5           HB       VAL   5  -1.949  -8.131  -9.839
   46   1HG1  VAL   5          1HG1      VAL   5  -4.218  -8.448 -10.840
   47   2HG1  VAL   5          2HG1      VAL   5  -3.038  -9.563 -11.512
   48   3HG1  VAL   5          3HG1      VAL   5  -4.213 -10.137 -10.299
   49   1HG2  VAL   5          1HG2      VAL   5  -4.053  -7.534  -8.688
   50   2HG2  VAL   5          2HG2      VAL   5  -4.073  -9.123  -7.893
   51   3HG2  VAL   5          3HG2      VAL   5  -2.783  -7.943  -7.548
   52    H    GLN   6           H        GLN   6  -1.904 -11.731 -11.098
   53    HA   GLN   6           HA       GLN   6   0.544 -10.829 -12.453
   54   1HB   GLN   6          HB2       GLN   6  -0.119 -13.775 -11.975
   55   2HB   GLN   6          HB3       GLN   6   1.218 -13.135 -12.935
   56   1HG   GLN   6          HG2       GLN   6   2.121 -12.083 -10.826
   57   2HG   GLN   6          HG3       GLN   6   0.882 -12.934  -9.910
   58   1HE2  GLN   6          2HE2      GLN   6   4.063 -13.139 -10.418
   59   2HE2  GLN   6          1HE2      GLN   6   4.283 -14.866 -10.519
   60    H    SER   7           H        SER   7  -0.074 -10.454 -14.603
   61    HA   SER   7           HA       SER   7  -1.794 -12.257 -16.013
   62   1HB   SER   7          HB2       SER   7  -3.506 -10.937 -14.683
   63   2HB   SER   7          HB3       SER   7  -2.919  -9.472 -15.471
   64    HG   SER   7           HG       SER   7  -4.260 -11.693 -16.593
   65    HA   PRO   8           HA       PRO   8   0.577  -9.968 -19.127
   66   1HB   PRO   8          HB2       PRO   8  -0.690 -10.695 -21.451
   67   2HB   PRO   8          HB3       PRO   8   0.396 -11.783 -20.534
   68   1HG   PRO   8          HG2       PRO   8  -2.634 -11.652 -20.426
   69   2HG   PRO   8          HG3       PRO   8  -1.595 -13.102 -20.610
   70   1HD   PRO   8          HD2       PRO   8  -2.602 -12.364 -18.201
   71   2HD   PRO   8          HD3       PRO   8  -0.953 -13.041 -18.336
   72    H    ASN   9           H        ASN   9  -2.833  -9.519 -18.492
   73    HA   ASN   9           HA       ASN   9  -3.424  -7.468 -20.368
   74   1HB   ASN   9          HB2       ASN   9  -4.575  -8.065 -17.602
   75   2HB   ASN   9          HB3       ASN   9  -5.198  -6.805 -18.662
   76   1HD2  ASN   9          2HD2      ASN   9  -5.181 -10.235 -18.041
   77   2HD2  ASN   9          1HD2      ASN   9  -6.223 -10.678 -19.377
   78    H    GLY  10           H        GLY  10  -1.959  -7.304 -17.110
   79   1HA   GLY  10          HA2       GLY  10  -1.124  -5.593 -15.851
   80   2HA   GLY  10          HA3       GLY  10  -0.515  -4.976 -17.393
   81    H    ASN  11           H        ASN  11  -3.988  -5.147 -16.627
   82    HA   ASN  11           HA       ASN  11  -4.383  -2.556 -17.698
   83   1HB   ASN  11          HB2       ASN  11  -6.094  -4.303 -17.804
   84   2HB   ASN  11          HB3       ASN  11  -6.263  -4.291 -16.046
   85   1HD2  ASN  11          2HD2      ASN  11  -7.158  -2.315 -15.014
   86   2HD2  ASN  11          1HD2      ASN  11  -8.221  -1.284 -15.951
   87    H    PHE  12           H        PHE  12  -3.538  -0.780 -16.715
   88    HA   PHE  12           HA       PHE  12  -3.338  -0.419 -13.890
   89   1HB   PHE  12          HB2       PHE  12  -1.872   0.726 -15.455
   90   2HB   PHE  12          HB3       PHE  12  -3.234   1.554 -16.201
   91    HD1  PHE  12           HD1      PHE  12  -1.368   1.194 -12.952
   92    HD2  PHE  12           HD2      PHE  12  -3.967   3.661 -15.363
   93    HE1  PHE  12           HE1      PHE  12  -1.102   3.061 -11.340
   94    HE2  PHE  12           HE2      PHE  12  -3.681   5.526 -13.753
   95    HZ   PHE  12           HZ       PHE  12  -2.262   5.226 -11.730
   96    H    ALA  13           H        ALA  13  -5.143  -0.426 -12.649
   97    HA   ALA  13           HA       ALA  13  -7.689   0.585 -13.657
   98   1HB   ALA  13          HB1       ALA  13  -7.526  -1.532 -12.408
   99   2HB   ALA  13          HB2       ALA  13  -6.918  -0.653 -10.985
  100   3HB   ALA  13          HB3       ALA  13  -8.572  -0.372 -11.567
  101    H    ALA  14           H        ALA  14  -5.133   2.051 -11.959
  102    HA   ALA  14           HA       ALA  14  -4.759   3.787 -10.656
  103   1HB   ALA  14          HB1       ALA  14  -6.026   5.830 -10.934
  104   2HB   ALA  14          HB2       ALA  14  -5.761   5.055 -12.508
  105   3HB   ALA  14          HB3       ALA  14  -7.351   4.958 -11.725
  106    H    SER  15           H        SER  15  -8.358   3.551 -10.210
  107    HA   SER  15           HA       SER  15  -8.143   2.694  -7.490
  108   1HB   SER  15          HB2       SER  15  -9.172   4.855  -6.549
  109   2HB   SER  15          HB3       SER  15  -7.449   4.891  -6.922
  110    HG   SER  15           HG       SER  15  -8.531   6.752  -7.690
  111    H    PHE  16           H        PHE  16 -10.337   2.688  -6.423
  112    HA   PHE  16           HA       PHE  16 -12.693   2.985  -8.090
  113   1HB   PHE  16          HB2       PHE  16 -11.641   0.785  -8.836
  114   2HB   PHE  16          HB3       PHE  16 -11.817   0.208  -7.186
  115    HD1  PHE  16           HD1      PHE  16 -14.067   1.965  -9.685
  116    HD2  PHE  16           HD2      PHE  16 -13.494  -1.411  -7.050
  117    HE1  PHE  16           HE1      PHE  16 -16.292   1.081 -10.326
  118    HE2  PHE  16           HE2      PHE  16 -15.709  -2.302  -7.726
  119    HZ   PHE  16           HZ       PHE  16 -17.115  -1.057  -9.353
  120    H    VAL  17           H        VAL  17 -14.632   1.989  -6.711
  121    HA   VAL  17           HA       VAL  17 -14.102   2.028  -3.817
  122    HB   VAL  17           HB       VAL  17 -16.307   3.667  -5.132
  123   1HG1  VAL  17          1HG1      VAL  17 -16.817   4.425  -2.842
  124   2HG1  VAL  17          2HG1      VAL  17 -16.991   2.672  -2.952
  125   3HG1  VAL  17          3HG1      VAL  17 -15.548   3.373  -2.187
  126   1HG2  VAL  17          1HG2      VAL  17 -13.810   4.584  -3.635
  127   2HG2  VAL  17          2HG2      VAL  17 -14.175   4.862  -5.352
  128   3HG2  VAL  17          3HG2      VAL  17 -15.161   5.635  -4.112
  129    H    LEU  18           H        LEU  18 -15.173   0.331  -2.887
  130    HA   LEU  18           HA       LEU  18 -17.402  -1.031  -4.229
  131   1HB   LEU  18          HB2       LEU  18 -15.419  -1.934  -5.351
  132   2HB   LEU  18          HB3       LEU  18 -14.654  -2.313  -3.838
  133    HG   LEU  18           HG       LEU  18 -15.549  -4.220  -5.131
  134   1HD1  LEU  18          1HD1      LEU  18 -16.814  -4.101  -2.379
  135   2HD1  LEU  18          2HD1      LEU  18 -16.311  -5.523  -3.293
  136   3HD1  LEU  18          3HD1      LEU  18 -15.091  -4.391  -2.690
  137   1HD2  LEU  18          1HD2      LEU  18 -17.654  -3.181  -5.920
  138   2HD2  LEU  18          2HD2      LEU  18 -17.895  -4.767  -5.171
  139   3HD2  LEU  18          3HD2      LEU  18 -18.320  -3.300  -4.274
  140    H    ASP  19           H        ASP  19 -18.703  -1.787  -2.681
  141    HA   ASP  19           HA       ASP  19 -19.693  -1.864  -0.696
  142   1HB   ASP  19          HB2       ASP  19 -18.738  -4.101  -0.866
  143   2HB   ASP  19          HB3       ASP  19 -17.309  -3.578   0.034
  144    H    GLY  20           H        GLY  20 -18.784   0.539  -0.866
  145   1HA   GLY  20          HA2       GLY  20 -18.442   2.422   0.360
  146   2HA   GLY  20          HA3       GLY  20 -18.785   1.438   1.792
  147    H    THR  21           H        THR  21 -16.045   0.557  -0.218
  148    HA   THR  21           HA       THR  21 -14.108   1.772   1.690
  149    HB   THR  21           HB       THR  21 -14.031  -1.009   0.424
  150    HG1  THR  21           HG1      THR  21 -15.655  -0.890   1.969
  151   1HG2  THR  21          1HG2      THR  21 -11.789  -0.204   0.943
  152   2HG2  THR  21          2HG2      THR  21 -12.293   0.267   2.583
  153   3HG2  THR  21          3HG2      THR  21 -12.250  -1.448   2.106
  154    H    LYS  22           H        LYS  22 -12.208   2.544   0.643
  155    HA   LYS  22           HA       LYS  22 -12.459   2.893  -2.294
  156   1HB   LYS  22          HB2       LYS  22 -12.135   4.875  -0.809
  157   2HB   LYS  22          HB3       LYS  22 -10.565   4.227  -0.307
  158   1HG   LYS  22          HG2       LYS  22  -9.709   4.413  -2.595
  159   2HG   LYS  22          HG3       LYS  22 -11.317   4.858  -3.201
  160   1HD   LYS  22          HD2       LYS  22 -11.247   6.933  -1.844
  161   2HD   LYS  22          HD3       LYS  22  -9.638   6.482  -1.237
  162   1HE   LYS  22          HE2       LYS  22  -8.757   6.497  -3.558
  163   2HE   LYS  22          HE3       LYS  22 -10.361   6.918  -4.173
  164   1HZ   LYS  22          HZ1       LYS  22  -8.734   8.620  -2.370
  165   2HZ   LYS  22          HZ2       LYS  22  -8.955   8.869  -3.965
  166   3HZ   LYS  22          HZ3       LYS  22 -10.216   9.005  -2.945
  167    H    TRP  23           H        TRP  23 -10.697   2.413  -3.661
  168    HA   TRP  23           HA       TRP  23  -8.736   0.378  -2.738
  169   1HB   TRP  23          HB2       TRP  23 -10.765   0.232  -5.022
  170   2HB   TRP  23          HB3       TRP  23  -9.544  -0.968  -4.719
  171    HD1  TRP  23           HD1      TRP  23 -12.844   0.271  -3.403
  172    HE1  TRP  23           HE1      TRP  23 -13.882  -1.389  -1.766
  173    HE3  TRP  23           HE3      TRP  23  -8.948  -3.025  -3.075
  174    HZ2  TRP  23           HZ2      TRP  23 -13.119  -3.888  -0.501
  175    HZ3  TRP  23           HZ3      TRP  23  -9.133  -5.046  -1.664
  176    HH2  TRP  23           HH2      TRP  23 -11.217  -5.497  -0.377
  177    H    ILE  24           H        ILE  24  -6.758   0.507  -4.051
  178    HA   ILE  24           HA       ILE  24  -6.544   2.644  -6.041
  179    HB   ILE  24           HB       ILE  24  -6.706   3.820  -3.890
  180   1HG1  ILE  24          2HG1      ILE  24  -3.898   4.157  -4.988
  181   2HG1  ILE  24          3HG1      ILE  24  -5.352   4.686  -5.842
  182   1HG2  ILE  24          1HG2      ILE  24  -5.697   2.103  -2.406
  183   2HG2  ILE  24          2HG2      ILE  24  -4.100   2.455  -3.098
  184   3HG2  ILE  24          3HG2      ILE  24  -4.975   3.690  -2.173
  185   1HD1  ILE  24          1HD1      ILE  24  -5.948   6.138  -3.900
  186   2HD1  ILE  24          2HD1      ILE  24  -4.411   5.682  -3.123
  187   3HD1  ILE  24          3HD1      ILE  24  -4.400   6.562  -4.657
  188    H    PHE  25           H        PHE  25  -4.450   2.830  -7.007
  189    HA   PHE  25           HA       PHE  25  -2.899   0.519  -7.447
  190   1HB   PHE  25          HB2       PHE  25  -2.977   2.361  -9.002
  191   2HB   PHE  25          HB3       PHE  25  -2.433   3.499  -7.781
  192    HD1  PHE  25           HD1      PHE  25  -0.203   4.200  -7.823
  193    HD2  PHE  25           HD2      PHE  25  -1.221   0.368  -9.517
  194    HE1  PHE  25           HE1      PHE  25   2.125   3.929  -8.632
  195    HE2  PHE  25           HE2      PHE  25   1.096   0.105 -10.327
  196    HZ   PHE  25           HZ       PHE  25   2.783   1.888  -9.891
  197    H    LYS  26           H        LYS  26  -0.706   0.022  -6.882
  198    HA   LYS  26           HA       LYS  26   0.537   1.567  -4.737
  199   1HB   LYS  26          HB2       LYS  26  -0.762  -0.319  -3.652
  200   2HB   LYS  26          HB3       LYS  26   0.338  -1.448  -4.404
  201   1HG   LYS  26          HG2       LYS  26   1.126   0.747  -2.453
  202   2HG   LYS  26          HG3       LYS  26   0.835  -0.946  -2.046
  203   1HD   LYS  26          HD2       LYS  26   2.695  -1.545  -3.705
  204   2HD   LYS  26          HD3       LYS  26   3.115   0.175  -3.713
  205   1HE   LYS  26          HE2       LYS  26   3.021  -1.621  -1.249
  206   2HE   LYS  26          HE3       LYS  26   4.480  -1.198  -2.147
  207   1HZ   LYS  26          HZ1       LYS  26   4.234   0.214  -0.233
  208   2HZ   LYS  26          HZ2       LYS  26   4.089   1.131  -1.568
  209   3HZ   LYS  26          HZ3       LYS  26   2.762   0.730  -0.693
  210    H    SER  27           H        SER  27   1.174  -1.532  -6.647
  211    HA   SER  27           HA       SER  27   3.305  -0.110  -8.119
  212   1HB   SER  27          HB2       SER  27   3.832  -2.624  -6.462
  213   2HB   SER  27          HB3       SER  27   4.991  -1.804  -7.514
  214    HG   SER  27           HG       SER  27   4.886  -0.002  -6.109
  215    H    LYS  28           H        LYS  28   3.867  -1.180 -10.105
  216    HA   LYS  28           HA       LYS  28   3.238  -3.973 -10.370
  217   1HB   LYS  28          HB2       LYS  28   2.063  -3.952 -12.439
  218   2HB   LYS  28          HB3       LYS  28   1.126  -3.030 -11.274
  219   1HG   LYS  28          HG2       LYS  28   1.767  -0.923 -12.323
  220   2HG   LYS  28          HG3       LYS  28   2.959  -1.739 -13.344
  221   1HD   LYS  28          HD2       LYS  28   1.117  -3.045 -14.419
  222   2HD   LYS  28          HD3       LYS  28  -0.065  -2.079 -13.517
  223   1HE   LYS  28          HE2       LYS  28   0.452  -0.105 -14.678
  224   2HE   LYS  28          HE3       LYS  28   2.079  -0.650 -15.097
  225   1HZ   LYS  28          HZ1       LYS  28   1.195  -2.108 -16.733
  226   2HZ   LYS  28          HZ2       LYS  28  -0.365  -1.804 -16.323
  227   3HZ   LYS  28          HZ3       LYS  28   0.560  -0.633 -17.002
  228    H    TYR  29           H        TYR  29   4.373  -4.937 -12.237
  229    HA   TYR  29           HA       TYR  29   6.266  -3.315 -13.737
  230   1HB   TYR  29          HB2       TYR  29   8.249  -4.479 -13.009
  231   2HB   TYR  29          HB3       TYR  29   7.510  -3.718 -11.621
  232    HD1  TYR  29           HD1      TYR  29   8.616  -6.854 -13.101
  233    HD2  TYR  29           HD2      TYR  29   6.238  -5.150  -9.926
  234    HE1  TYR  29           HE1      TYR  29   8.724  -8.999 -11.873
  235    HE2  TYR  29           HE2      TYR  29   6.340  -7.290  -8.693
  236    HH   TYR  29           HH       TYR  29   7.183  -9.470  -8.662
  237    H    TYR  30           H        TYR  30   7.408  -4.800 -15.366
  238    HA   TYR  30           HA       TYR  30   5.583  -7.009 -16.173
  239   1HB   TYR  30          HB2       TYR  30   6.065  -5.179 -17.792
  240   2HB   TYR  30          HB3       TYR  30   7.770  -5.616 -17.747
  241    HD1  TYR  30           HD1      TYR  30   4.347  -6.925 -18.524
  242    HD2  TYR  30           HD2      TYR  30   8.588  -7.394 -19.152
  243    HE1  TYR  30           HE1      TYR  30   3.890  -8.518 -20.369
  244    HE2  TYR  30           HE2      TYR  30   8.148  -8.980 -20.996
  245    HH   TYR  30           HH       TYR  30   6.517 -10.003 -22.323
  246    H    ASP  31           H        ASP  31   6.232  -9.062 -15.746
  247    HA   ASP  31           HA       ASP  31   9.007  -9.514 -14.802
  248   1HB   ASP  31          HB2       ASP  31   7.279 -10.367 -13.333
  249   2HB   ASP  31          HB3       ASP  31   6.555 -11.291 -14.659
  250    H    SER  32           H        SER  32   9.981  -9.274 -16.858
  251    HA   SER  32           HA       SER  32   9.385 -10.623 -19.192
  252   1HB   SER  32          HB2       SER  32  12.176 -10.048 -18.138
  253   2HB   SER  32          HB3       SER  32  11.644 -10.098 -19.830
  254    HG   SER  32           HG       SER  32  11.817  -7.954 -19.026
  255    H    SER  33           H        SER  33  10.510 -12.127 -16.222
  256    HA   SER  33           HA       SER  33  11.877 -14.364 -17.350
  257   1HB   SER  33          HB2       SER  33  10.274 -14.574 -14.809
  258   2HB   SER  33          HB3       SER  33  11.863 -15.245 -15.198
  259    HG   SER  33           HG       SER  33  11.054 -12.679 -14.418
  260    H    LYS  34           H        LYS  34   8.444 -13.576 -17.068
  261    HA   LYS  34           HA       LYS  34   7.751 -16.203 -18.305
  262   1HB   LYS  34          HB2       LYS  34   6.361 -14.839 -15.962
  263   2HB   LYS  34          HB3       LYS  34   5.663 -16.171 -16.878
  264   1HG   LYS  34          HG2       LYS  34   8.257 -16.353 -15.296
  265   2HG   LYS  34          HG3       LYS  34   6.673 -16.881 -14.734
  266   1HD   LYS  34          HD2       LYS  34   6.518 -18.476 -16.644
  267   2HD   LYS  34          HD3       LYS  34   8.153 -18.043 -17.143
  268   1HE   LYS  34          HE2       LYS  34   7.392 -19.241 -14.441
  269   2HE   LYS  34          HE3       LYS  34   8.011 -20.152 -15.820
  270   1HZ   LYS  34          HZ1       LYS  34  10.055 -18.824 -15.688
  271   2HZ   LYS  34          HZ2       LYS  34   9.499 -18.062 -14.346
  272   3HZ   LYS  34          HZ3       LYS  34   9.787 -19.662 -14.317
  273    H    GLY  35           H        GLY  35   7.402 -12.751 -18.369
  274   1HA   GLY  35          HA2       GLY  35   6.719 -11.588 -20.209
  275   2HA   GLY  35          HA3       GLY  35   6.089 -13.067 -20.950
  276    H    TYR  36           H        TYR  36   5.301 -11.493 -17.779
  277    HA   TYR  36           HA       TYR  36   2.775 -10.515 -18.813
  278   1HB   TYR  36          HB2       TYR  36   1.491 -11.550 -16.883
  279   2HB   TYR  36          HB3       TYR  36   1.861 -12.573 -18.246
  280    HD1  TYR  36           HD1      TYR  36   2.339 -14.771 -17.700
  281    HD2  TYR  36           HD2      TYR  36   3.463 -11.669 -14.917
  282    HE1  TYR  36           HE1      TYR  36   3.085 -16.489 -16.094
  283    HE2  TYR  36           HE2      TYR  36   4.273 -13.384 -13.332
  284    HH   TYR  36           HH       TYR  36   4.003 -16.904 -13.987
  285    H    TRP  37           H        TRP  37   1.661  -9.152 -17.064
  286    HA   TRP  37           HA       TRP  37   3.706  -7.624 -15.609
  287   1HB   TRP  37          HB2       TRP  37   0.707  -7.264 -15.929
  288   2HB   TRP  37          HB3       TRP  37   1.720  -6.271 -14.901
  289    HD1  TRP  37           HD1      TRP  37   1.162  -7.013 -18.633
  290    HE1  TRP  37           HE1      TRP  37   2.049  -5.066 -20.019
  291    HE3  TRP  37           HE3      TRP  37   3.292  -4.285 -14.873
  292    HZ2  TRP  37           HZ2      TRP  37   3.537  -2.604 -19.553
  293    HZ3  TRP  37           HZ3      TRP  37   4.435  -2.134 -15.365
  294    HH2  TRP  37           HH2      TRP  37   4.563  -1.289 -17.698
  295    H    VAL  38           H        VAL  38   3.619  -7.353 -13.377
  296    HA   VAL  38           HA       VAL  38   2.044  -9.232 -11.742
  297    HB   VAL  38           HB       VAL  38   5.056  -8.741 -11.539
  298   1HG1  VAL  38          1HG1      VAL  38   4.177  -9.016  -9.305
  299   2HG1  VAL  38          2HG1      VAL  38   3.185 -10.401  -9.791
  300   3HG1  VAL  38          3HG1      VAL  38   4.958 -10.528  -9.755
  301   1HG2  VAL  38          1HG2      VAL  38   3.522 -11.224 -12.395
  302   2HG2  VAL  38          2HG2      VAL  38   4.676 -10.281 -13.352
  303   3HG2  VAL  38          3HG2      VAL  38   5.253 -11.210 -11.973
  304    H    GLY  39           H        GLY  39   1.633  -8.223  -9.589
  305   1HA   GLY  39          HA2       GLY  39   2.900  -5.678  -9.015
  306   2HA   GLY  39          HA3       GLY  39   1.225  -5.489  -9.545
  307    H    ILE  40           H        ILE  40   1.803  -4.520  -7.280
  308    HA   ILE  40           HA       ILE  40   0.621  -6.244  -5.168
  309    HB   ILE  40           HB       ILE  40   2.509  -3.857  -4.794
  310   1HG1  ILE  40          2HG1      ILE  40   3.176  -6.785  -4.289
  311   2HG1  ILE  40          3HG1      ILE  40   3.799  -5.815  -5.622
  312   1HG2  ILE  40          1HG2      ILE  40   2.374  -4.378  -2.401
  313   2HG2  ILE  40          2HG2      ILE  40   0.751  -4.172  -3.038
  314   3HG2  ILE  40          3HG2      ILE  40   1.376  -5.807  -2.745
  315   1HD1  ILE  40          1HD1      ILE  40   4.850  -4.254  -3.967
  316   2HD1  ILE  40          2HD1      ILE  40   4.379  -5.385  -2.672
  317   3HD1  ILE  40          3HD1      ILE  40   5.492  -5.909  -3.941
  318    H    TYR  41           H        TYR  41  -1.479  -5.403  -4.909
  319    HA   TYR  41           HA       TYR  41  -1.973  -2.621  -5.862
  320   1HB   TYR  41          HB2       TYR  41  -2.417  -5.082  -7.353
  321   2HB   TYR  41          HB3       TYR  41  -3.965  -4.421  -6.913
  322    HD1  TYR  41           HD1      TYR  41  -4.205  -1.776  -7.300
  323    HD2  TYR  41           HD2      TYR  41  -1.400  -4.318  -9.351
  324    HE1  TYR  41           HE1      TYR  41  -4.260  -0.245  -9.252
  325    HE2  TYR  41           HE2      TYR  41  -1.446  -2.794 -11.309
  326    HH   TYR  41           HH       TYR  41  -3.336   0.260 -11.295
  327    H    GLU  42           H        GLU  42  -3.874  -1.693  -4.993
  328    HA   GLU  42           HA       GLU  42  -5.401  -3.407  -3.100
  329   1HB   GLU  42          HB2       GLU  42  -3.849  -1.457  -2.210
  330   2HB   GLU  42          HB3       GLU  42  -5.132  -0.406  -2.787
  331   1HG   GLU  42          HG2       GLU  42  -6.767  -1.695  -1.375
  332   2HG   GLU  42          HG3       GLU  42  -5.435  -2.694  -0.801
  333    H    VAL  43           H        VAL  43  -5.807  -3.167  -5.986
  334    HA   VAL  43           HA       VAL  43  -8.600  -2.678  -5.836
  335    HB   VAL  43           HB       VAL  43  -8.079  -0.371  -6.249
  336   1HG1  VAL  43          1HG1      VAL  43  -7.032   0.516  -8.248
  337   2HG1  VAL  43          2HG1      VAL  43  -5.906  -0.435  -7.293
  338   3HG1  VAL  43          3HG1      VAL  43  -6.604  -1.119  -8.779
  339   1HG2  VAL  43          1HG2      VAL  43  -9.141  -1.522  -8.839
  340   2HG2  VAL  43          2HG2      VAL  43 -10.077  -1.342  -7.342
  341   3HG2  VAL  43          3HG2      VAL  43  -9.426   0.091  -8.164
  342    H    TRP  44           H        TRP  44  -5.843  -3.194  -8.149
  343    HA   TRP  44           HA       TRP  44  -7.485  -4.330 -10.119
  344   1HB   TRP  44          HB2       TRP  44  -5.173  -3.391 -10.413
  345   2HB   TRP  44          HB3       TRP  44  -4.533  -4.847  -9.651
  346    HD1  TRP  44           HD1      TRP  44  -7.202  -4.638 -12.464
  347    HE1  TRP  44           HE1      TRP  44  -6.362  -5.898 -14.503
  348    HE3  TRP  44           HE3      TRP  44  -2.498  -5.794 -10.808
  349    HZ2  TRP  44           HZ2      TRP  44  -3.955  -7.315 -15.313
  350    HZ3  TRP  44           HZ3      TRP  44  -0.929  -7.052 -12.254
  351    HH2  TRP  44           HH2      TRP  44  -1.640  -7.824 -14.500
  352    H    ASP  45           H        ASP  45  -7.890  -6.445 -10.751
  353    HA   ASP  45           HA       ASP  45  -7.097  -8.722  -9.056
  354   1HB   ASP  45          HB2       ASP  45  -9.143  -7.735  -8.017
  355   2HB   ASP  45          HB3       ASP  45 -10.002  -7.941  -9.544
  356    H    ARG  46           H        ARG  46  -6.388  -7.885 -11.696
  357    HA   ARG  46           HA       ARG  46  -6.406  -8.376 -13.888
  358   1HB   ARG  46          HB2       ARG  46  -5.792 -10.634 -14.416
  359   2HB   ARG  46          HB3       ARG  46  -4.946  -9.984 -13.022
  360   1HG   ARG  46          HG2       ARG  46  -6.419 -11.335 -11.511
  361   2HG   ARG  46          HG3       ARG  46  -7.215 -12.023 -12.948
  362   1HD   ARG  46          HD2       ARG  46  -4.977 -12.849 -13.722
  363   2HD   ARG  46          HD3       ARG  46  -4.260 -12.181 -12.240
  364    HE   ARG  46           HE       ARG  46  -6.402 -13.947 -11.576
  365   1HH1  ARG  46          1HH2      ARG  46  -3.043 -13.997 -12.763
  366   2HH1  ARG  46          2HH2      ARG  46  -2.723 -15.595 -12.180
  367   1HH2  ARG  46          1HH1      ARG  46  -5.952 -16.059 -10.773
  368   2HH2  ARG  46          2HH1      ARG  46  -4.406 -16.779 -11.009
  369    H    LYS  47           H        LYS  47  -8.894  -7.640 -13.276
  370    HA   LYS  47           HA       LYS  47 -11.069  -7.683 -13.979
  371   1HB   LYS  47          HB2       LYS  47 -11.142  -7.166 -16.373
  372   2HB   LYS  47          HB3       LYS  47  -9.952  -6.243 -15.483
  373   1HG   LYS  47          HG2       LYS  47  -8.115  -7.298 -16.458
  374   2HG   LYS  47          HG3       LYS  47  -8.998  -8.747 -16.889
  375   1HD   LYS  47          HD2       LYS  47  -9.227  -6.039 -18.249
  376   2HD   LYS  47          HD3       LYS  47  -8.427  -7.475 -18.880
  377   1HE   LYS  47          HE2       LYS  47 -11.408  -7.033 -18.471
  378   2HE   LYS  47          HE3       LYS  47 -10.548  -7.262 -19.992
  379   1HZ   LYS  47          HZ1       LYS  47 -11.686  -9.268 -19.336
  380   2HZ   LYS  47          HZ2       LYS  47 -10.082  -9.556 -19.275
  381   3HZ   LYS  47          HZ3       LYS  47 -10.937  -9.322 -17.880
  Start of MODEL    6
    1   1H    ALA   1          H1        ALA   1  -7.592  -3.850   2.180
    2   2H    ALA   1          H2        ALA   1  -8.160  -5.379   2.083
    3   3H    ALA   1          H3        ALA   1  -7.760  -4.742   3.546
    4    HA   ALA   1           HA       ALA   1  -5.459  -4.590   2.905
    5   1HB   ALA   1          HB1       ALA   1  -6.187  -6.629   4.099
    6   2HB   ALA   1          HB2       ALA   1  -6.611  -7.398   2.551
    7   3HB   ALA   1          HB3       ALA   1  -4.921  -7.000   2.919
    8    H    ILE   2           H        ILE   2  -3.780  -5.087   1.358
    9    HA   ILE   2           HA       ILE   2  -4.434  -4.669  -1.397
   10    HB   ILE   2           HB       ILE   2  -2.032  -5.475  -1.760
   11   1HG1  ILE   2          2HG1      ILE   2  -1.803  -5.269   1.272
   12   2HG1  ILE   2          3HG1      ILE   2  -1.946  -6.810   0.422
   13   1HG2  ILE   2          1HG2      ILE   2  -2.674  -3.143  -1.692
   14   2HG2  ILE   2          2HG2      ILE   2  -2.559  -3.108   0.082
   15   3HG2  ILE   2          3HG2      ILE   2  -1.110  -3.343  -0.920
   16   1HD1  ILE   2          1HD1      ILE   2   0.386  -6.324   0.923
   17   2HD1  ILE   2          2HD1      ILE   2   0.121  -6.350  -0.829
   18   3HD1  ILE   2          3HD1      ILE   2   0.308  -4.799   0.030
   19    H    LYS   3           H        LYS   3  -4.098  -6.026  -3.141
   20    HA   LYS   3           HA       LYS   3  -4.353  -8.967  -2.759
   21   1HB   LYS   3          HB2       LYS   3  -5.357  -7.077  -4.946
   22   2HB   LYS   3          HB3       LYS   3  -5.214  -8.818  -5.191
   23   1HG   LYS   3          HG2       LYS   3  -6.832  -9.305  -3.480
   24   2HG   LYS   3          HG3       LYS   3  -6.901  -7.613  -2.955
   25   1HD   LYS   3          HD2       LYS   3  -7.892  -6.900  -5.023
   26   2HD   LYS   3          HD3       LYS   3  -7.657  -8.476  -5.780
   27   1HE   LYS   3          HE2       LYS   3  -9.402  -8.066  -3.311
   28   2HE   LYS   3          HE3       LYS   3 -10.016  -7.896  -4.960
   29   1HZ   LYS   3          HZ1       LYS   3  -8.828 -10.377  -3.871
   30   2HZ   LYS   3          HZ2       LYS   3 -10.414 -10.111  -4.148
   31   3HZ   LYS   3          HZ3       LYS   3  -9.373 -10.173  -5.412
   32    H    LEU   4           H        LEU   4  -3.166 -10.076  -4.572
   33    HA   LEU   4           HA       LEU   4  -0.852  -8.560  -5.666
   34   1HB   LEU   4          HB2       LEU   4  -0.837 -11.425  -4.612
   35   2HB   LEU   4          HB3       LEU   4   0.480 -10.642  -5.479
   36    HG   LEU   4           HG       LEU   4  -0.560  -9.843  -2.722
   37   1HD1  LEU   4          1HD1      LEU   4   2.036 -11.201  -3.561
   38   2HD1  LEU   4          2HD1      LEU   4   1.583 -10.722  -1.908
   39   3HD1  LEU   4          3HD1      LEU   4   0.664 -11.983  -2.744
   40   1HD2  LEU   4          1HD2      LEU   4   0.301  -7.857  -3.807
   41   2HD2  LEU   4          2HD2      LEU   4   1.498  -8.405  -2.639
   42   3HD2  LEU   4          3HD2      LEU   4   1.746  -8.726  -4.373
   43    H    VAL   5           H        VAL   5  -0.565  -9.026  -7.872
   44    HA   VAL   5           HA       VAL   5  -2.559 -10.862  -9.105
   45    HB   VAL   5           HB       VAL   5  -2.179  -7.952  -9.930
   46   1HG1  VAL   5          1HG1      VAL   5  -3.001  -9.259 -11.774
   47   2HG1  VAL   5          2HG1      VAL   5  -4.124 -10.156 -10.732
   48   3HG1  VAL   5          3HG1      VAL   5  -4.412  -8.449 -11.108
   49   1HG2  VAL   5          1HG2      VAL   5  -3.259  -7.847  -7.744
   50   2HG2  VAL   5          2HG2      VAL   5  -4.425  -7.489  -9.004
   51   3HG2  VAL   5          3HG2      VAL   5  -4.438  -9.089  -8.234
   52    H    GLN   6           H        GLN   6  -2.020 -11.499 -11.242
   53    HA   GLN   6           HA       GLN   6   0.286 -10.391 -12.543
   54   1HB   GLN   6          HB2       GLN   6   1.287 -12.687 -12.945
   55   2HB   GLN   6          HB3       GLN   6   1.595 -11.942 -11.389
   56   1HG   GLN   6          HG2       GLN   6  -0.547 -14.071 -11.765
   57   2HG   GLN   6          HG3       GLN   6   1.133 -14.440 -11.413
   58   1HE2  GLN   6          2HE2      GLN   6   2.091 -13.252  -9.391
   59   2HE2  GLN   6          1HE2      GLN   6   1.031 -13.153  -8.011
   60    H    SER   7           H        SER   7  -0.267 -10.203 -14.640
   61    HA   SER   7           HA       SER   7  -1.991 -12.129 -15.990
   62   1HB   SER   7          HB2       SER   7  -2.920  -9.238 -15.844
   63   2HB   SER   7          HB3       SER   7  -3.785 -10.619 -16.512
   64    HG   SER   7           HG       SER   7  -4.613 -10.012 -14.522
   65    HA   PRO   8           HA       PRO   8   0.679 -10.625 -19.149
   66   1HB   PRO   8          HB2       PRO   8  -0.702 -11.035 -21.499
   67   2HB   PRO   8          HB3       PRO   8   0.011 -12.341 -20.506
   68   1HG   PRO   8          HG2       PRO   8  -2.857 -11.356 -20.507
   69   2HG   PRO   8          HG3       PRO   8  -2.266 -13.047 -20.579
   70   1HD   PRO   8          HD2       PRO   8  -3.078 -11.929 -18.244
   71   2HD   PRO   8          HD3       PRO   8  -1.667 -13.029 -18.288
   72    H    ASN   9           H        ASN   9  -2.526  -9.129 -18.954
   73    HA   ASN   9           HA       ASN   9  -1.828  -7.049 -20.874
   74   1HB   ASN   9          HB2       ASN   9  -4.071  -6.295 -20.661
   75   2HB   ASN   9          HB3       ASN   9  -4.079  -8.043 -20.816
   76   1HD2  ASN   9          2HD2      ASN   9  -6.399  -7.296 -19.985
   77   2HD2  ASN   9          1HD2      ASN   9  -6.618  -7.431 -18.247
   78    H    GLY  10           H        GLY  10  -1.454  -7.339 -17.441
   79   1HA   GLY  10          HA2       GLY  10  -0.937  -5.839 -15.786
   80   2HA   GLY  10          HA3       GLY  10  -0.184  -4.878 -17.062
   81    H    ASN  11           H        ASN  11  -3.673  -5.600 -16.759
   82    HA   ASN  11           HA       ASN  11  -4.526  -3.087 -17.540
   83   1HB   ASN  11          HB2       ASN  11  -6.001  -4.980 -17.615
   84   2HB   ASN  11          HB3       ASN  11  -5.922  -5.182 -15.864
   85   1HD2  ASN  11          2HD2      ASN  11  -8.197  -4.976 -15.580
   86   2HD2  ASN  11          1HD2      ASN  11  -9.011  -3.430 -15.788
   87    H    PHE  12           H        PHE  12  -3.725  -1.281 -16.595
   88    HA   PHE  12           HA       PHE  12  -3.543  -0.923 -13.745
   89   1HB   PHE  12          HB2       PHE  12  -1.903   0.136 -15.061
   90   2HB   PHE  12          HB3       PHE  12  -3.076   0.794 -16.188
   91    HD1  PHE  12           HD1      PHE  12  -4.136   2.908 -15.835
   92    HD2  PHE  12           HD2      PHE  12  -1.590   1.218 -12.785
   93    HE1  PHE  12           HE1      PHE  12  -4.067   5.097 -14.677
   94    HE2  PHE  12           HE2      PHE  12  -1.551   3.405 -11.619
   95    HZ   PHE  12           HZ       PHE  12  -2.780   5.351 -12.562
   96    H    ALA  13           H        ALA  13  -5.274  -0.539 -12.482
   97    HA   ALA  13           HA       ALA  13  -7.780   0.458 -13.666
   98   1HB   ALA  13          HB1       ALA  13  -7.764  -1.594 -12.291
   99   2HB   ALA  13          HB2       ALA  13  -7.167  -0.656 -10.900
  100   3HB   ALA  13          HB3       ALA  13  -8.778  -0.332 -11.568
  101    H    ALA  14           H        ALA  14  -5.197   1.900 -12.005
  102    HA   ALA  14           HA       ALA  14  -4.769   3.636 -10.722
  103   1HB   ALA  14          HB1       ALA  14  -5.702   4.907 -12.606
  104   2HB   ALA  14          HB2       ALA  14  -7.298   4.897 -11.827
  105   3HB   ALA  14          HB3       ALA  14  -5.935   5.723 -11.049
  106    H    SER  15           H        SER  15  -8.383   3.399 -10.298
  107    HA   SER  15           HA       SER  15  -8.166   2.677  -7.537
  108   1HB   SER  15          HB2       SER  15  -9.247   4.861  -6.703
  109   2HB   SER  15          HB3       SER  15  -7.520   4.901  -7.053
  110    HG   SER  15           HG       SER  15  -8.594   6.714  -7.922
  111    H    PHE  16           H        PHE  16 -10.352   2.673  -6.468
  112    HA   PHE  16           HA       PHE  16 -12.733   2.855  -8.104
  113   1HB   PHE  16          HB2       PHE  16 -11.613   0.660  -8.818
  114   2HB   PHE  16          HB3       PHE  16 -11.800   0.115  -7.156
  115    HD1  PHE  16           HD1      PHE  16 -13.473  -1.499  -6.969
  116    HD2  PHE  16           HD2      PHE  16 -14.023   1.756  -9.755
  117    HE1  PHE  16           HE1      PHE  16 -15.677  -2.426  -7.626
  118    HE2  PHE  16           HE2      PHE  16 -16.235   0.833 -10.387
  119    HZ   PHE  16           HZ       PHE  16 -17.066  -1.260  -9.328
  120    H    VAL  17           H        VAL  17 -14.584   1.683  -6.638
  121    HA   VAL  17           HA       VAL  17 -13.980   1.846  -3.762
  122    HB   VAL  17           HB       VAL  17 -16.317   3.278  -5.100
  123   1HG1  VAL  17          1HG1      VAL  17 -16.962   3.995  -2.833
  124   2HG1  VAL  17          2HG1      VAL  17 -17.005   2.236  -2.952
  125   3HG1  VAL  17          3HG1      VAL  17 -15.646   3.035  -2.131
  126   1HG2  VAL  17          1HG2      VAL  17 -14.269   4.634  -5.243
  127   2HG2  VAL  17          2HG2      VAL  17 -15.374   5.330  -4.060
  128   3HG2  VAL  17          3HG2      VAL  17 -13.967   4.398  -3.507
  129    H    LEU  18           H        LEU  18 -14.872   0.078  -2.767
  130    HA   LEU  18           HA       LEU  18 -17.053  -1.458  -3.966
  131   1HB   LEU  18          HB2       LEU  18 -15.128  -2.345  -5.215
  132   2HB   LEU  18          HB3       LEU  18 -14.203  -2.526  -3.738
  133    HG   LEU  18           HG       LEU  18 -15.816  -4.273  -2.946
  134   1HD1  LEU  18          1HD1      LEU  18 -17.822  -3.633  -4.265
  135   2HD1  LEU  18          2HD1      LEU  18 -16.962  -4.023  -5.767
  136   3HD1  LEU  18          3HD1      LEU  18 -17.352  -5.300  -4.596
  137   1HD2  LEU  18          1HD2      LEU  18 -15.001  -6.028  -4.454
  138   2HD2  LEU  18          2HD2      LEU  18 -14.516  -4.801  -5.647
  139   3HD2  LEU  18          3HD2      LEU  18 -13.715  -4.877  -4.062
  140    H    ASP  19           H        ASP  19 -18.109  -2.546  -2.345
  141    HA   ASP  19           HA       ASP  19 -18.873  -2.894  -0.273
  142   1HB   ASP  19          HB2       ASP  19 -17.454  -4.845  -0.664
  143   2HB   ASP  19          HB3       ASP  19 -16.093  -4.033   0.114
  144    H    GLY  20           H        GLY  20 -18.483  -0.323  -0.433
  145   1HA   GLY  20          HA2       GLY  20 -18.406   1.568   0.824
  146   2HA   GLY  20          HA3       GLY  20 -18.427   0.510   2.244
  147    H    THR  21           H        THR  21 -15.748   0.269  -0.036
  148    HA   THR  21           HA       THR  21 -13.917   1.726   1.802
  149    HB   THR  21           HB       THR  21 -13.514  -1.040   0.561
  150    HG1  THR  21           HG1      THR  21 -15.067  -1.198   2.140
  151   1HG2  THR  21          1HG2      THR  21 -11.385   0.057   1.013
  152   2HG2  THR  21          2HG2      THR  21 -11.902   0.472   2.663
  153   3HG2  THR  21          3HG2      THR  21 -11.647  -1.225   2.194
  154    H    LYS  22           H        LYS  22 -12.154   2.712   0.665
  155    HA   LYS  22           HA       LYS  22 -12.492   2.914  -2.276
  156   1HB   LYS  22          HB2       LYS  22 -12.245   4.981  -0.895
  157   2HB   LYS  22          HB3       LYS  22 -10.627   4.445  -0.410
  158   1HG   LYS  22          HG2       LYS  22  -9.856   4.548  -2.741
  159   2HG   LYS  22          HG3       LYS  22 -11.502   4.903  -3.302
  160   1HD   LYS  22          HD2       LYS  22 -11.467   7.040  -2.048
  161   2HD   LYS  22          HD3       LYS  22  -9.821   6.678  -1.478
  162   1HE   LYS  22          HE2       LYS  22  -9.025   6.610  -3.832
  163   2HE   LYS  22          HE3       LYS  22 -10.663   6.955  -4.402
  164   1HZ   LYS  22          HZ1       LYS  22  -9.022   8.780  -2.738
  165   2HZ   LYS  22          HZ2       LYS  22  -9.310   8.953  -4.332
  166   3HZ   LYS  22          HZ3       LYS  22 -10.535   9.098  -3.270
  167    H    TRP  23           H        TRP  23 -10.754   2.429  -3.679
  168    HA   TRP  23           HA       TRP  23  -8.665   0.562  -2.676
  169   1HB   TRP  23          HB2       TRP  23 -10.752   0.190  -4.876
  170   2HB   TRP  23          HB3       TRP  23  -9.398  -0.867  -4.657
  171    HD1  TRP  23           HD1      TRP  23 -12.641   0.080  -3.003
  172    HE1  TRP  23           HE1      TRP  23 -13.455  -1.765  -1.447
  173    HE3  TRP  23           HE3      TRP  23  -8.620  -3.061  -3.355
  174    HZ2  TRP  23           HZ2      TRP  23 -12.454  -4.314  -0.459
  175    HZ3  TRP  23           HZ3      TRP  23  -8.580  -5.195  -2.125
  176    HH2  TRP  23           HH2      TRP  23 -10.494  -5.842  -0.676
  177    H    ILE  24           H        ILE  24  -6.721   0.688  -4.022
  178    HA   ILE  24           HA       ILE  24  -6.577   2.741  -6.101
  179    HB   ILE  24           HB       ILE  24  -6.672   4.017  -4.006
  180   1HG1  ILE  24          2HG1      ILE  24  -3.896   4.248  -5.221
  181   2HG1  ILE  24          3HG1      ILE  24  -5.376   4.798  -6.014
  182   1HG2  ILE  24          1HG2      ILE  24  -4.905   3.945  -2.322
  183   2HG2  ILE  24          2HG2      ILE  24  -5.639   2.354  -2.471
  184   3HG2  ILE  24          3HG2      ILE  24  -4.058   2.666  -3.214
  185   1HD1  ILE  24          1HD1      ILE  24  -5.814   6.325  -4.082
  186   2HD1  ILE  24          2HD1      ILE  24  -4.242   5.846  -3.390
  187   3HD1  ILE  24          3HD1      ILE  24  -4.306   6.677  -4.950
  188    H    PHE  25           H        PHE  25  -4.517   2.848  -7.153
  189    HA   PHE  25           HA       PHE  25  -3.032   0.474  -7.491
  190   1HB   PHE  25          HB2       PHE  25  -3.186   2.246  -9.153
  191   2HB   PHE  25          HB3       PHE  25  -2.473   3.408  -8.047
  192    HD1  PHE  25           HD1      PHE  25  -0.459   4.161  -8.951
  193    HD2  PHE  25           HD2      PHE  25  -1.359  -0.052  -9.138
  194    HE1  PHE  25           HE1      PHE  25   1.719   3.731 -10.049
  195    HE2  PHE  25           HE2      PHE  25   0.783  -0.469 -10.265
  196    HZ   PHE  25           HZ       PHE  25   2.347   1.421 -10.726
  197    H    LYS  26           H        LYS  26  -0.848  -0.054  -6.953
  198    HA   LYS  26           HA       LYS  26   0.462   1.574  -4.881
  199   1HB   LYS  26          HB2       LYS  26  -0.757  -0.388  -3.804
  200   2HB   LYS  26          HB3       LYS  26   0.386  -1.447  -4.601
  201   1HG   LYS  26          HG2       LYS  26   1.049   0.715  -2.568
  202   2HG   LYS  26          HG3       LYS  26   0.983  -1.029  -2.283
  203   1HD   LYS  26          HD2       LYS  26   2.828  -1.295  -4.011
  204   2HD   LYS  26          HD3       LYS  26   2.977   0.481  -4.001
  205   1HE   LYS  26          HE2       LYS  26   3.420   0.399  -1.548
  206   2HE   LYS  26          HE3       LYS  26   3.381  -1.369  -1.625
  207   1HZ   LYS  26          HZ1       LYS  26   5.244  -1.242  -3.214
  208   2HZ   LYS  26          HZ2       LYS  26   5.290   0.379  -3.071
  209   3HZ   LYS  26          HZ3       LYS  26   5.642  -0.557  -1.783
  210    H    SER  27           H        SER  27   1.215  -1.533  -6.737
  211    HA   SER  27           HA       SER  27   3.208  -0.030  -8.316
  212   1HB   SER  27          HB2       SER  27   3.977  -2.376  -6.516
  213   2HB   SER  27          HB3       SER  27   5.044  -1.534  -7.646
  214    HG   SER  27           HG       SER  27   4.818   0.340  -6.364
  215    H    LYS  28           H        LYS  28   3.863  -1.178 -10.229
  216    HA   LYS  28           HA       LYS  28   3.270  -4.009 -10.391
  217   1HB   LYS  28          HB2       LYS  28   2.170  -3.998 -12.524
  218   2HB   LYS  28          HB3       LYS  28   1.191  -3.124 -11.356
  219   1HG   LYS  28          HG2       LYS  28   1.778  -0.982 -12.346
  220   2HG   LYS  28          HG3       LYS  28   3.020  -1.728 -13.356
  221   1HD   LYS  28          HD2       LYS  28   1.248  -3.072 -14.509
  222   2HD   LYS  28          HD3       LYS  28   0.014  -2.194 -13.589
  223   1HE   LYS  28          HE2       LYS  28   0.551  -0.118 -14.632
  224   2HE   LYS  28          HE3       LYS  28   2.107  -0.712 -15.220
  225   1HZ   LYS  28          HZ1       LYS  28   1.030  -2.049 -16.824
  226   2HZ   LYS  28          HZ2       LYS  28  -0.468  -1.790 -16.223
  227   3HZ   LYS  28          HZ3       LYS  28   0.361  -0.570 -16.950
  228    H    TYR  29           H        TYR  29   4.493  -5.051 -12.117
  229    HA   TYR  29           HA       TYR  29   6.506  -3.475 -13.546
  230   1HB   TYR  29          HB2       TYR  29   8.380  -4.754 -12.707
  231   2HB   TYR  29          HB3       TYR  29   7.604  -3.925 -11.377
  232    HD1  TYR  29           HD1      TYR  29   8.501  -7.183 -12.808
  233    HD2  TYR  29           HD2      TYR  29   6.271  -5.221  -9.674
  234    HE1  TYR  29           HE1      TYR  29   8.423  -9.306 -11.537
  235    HE2  TYR  29           HE2      TYR  29   6.188  -7.337  -8.398
  236    HH   TYR  29           HH       TYR  29   6.850  -9.576  -8.317
  237    H    TYR  30           H        TYR  30   7.468  -4.793 -15.284
  238    HA   TYR  30           HA       TYR  30   5.705  -7.030 -16.097
  239   1HB   TYR  30          HB2       TYR  30   6.232  -5.201 -17.702
  240   2HB   TYR  30          HB3       TYR  30   7.929  -5.674 -17.644
  241    HD1  TYR  30           HD1      TYR  30   8.707  -7.436 -19.076
  242    HD2  TYR  30           HD2      TYR  30   4.482  -6.956 -18.390
  243    HE1  TYR  30           HE1      TYR  30   8.236  -9.114 -20.836
  244    HE2  TYR  30           HE2      TYR  30   3.991  -8.624 -20.150
  245    HH   TYR  30           HH       TYR  30   4.896 -10.069 -21.754
  246    H    ASP  31           H        ASP  31   6.311  -9.076 -15.615
  247    HA   ASP  31           HA       ASP  31   9.038  -9.613 -14.597
  248   1HB   ASP  31          HB2       ASP  31   7.048 -10.422 -13.363
  249   2HB   ASP  31          HB3       ASP  31   6.609 -11.443 -14.734
  250    H    SER  32           H        SER  32  10.010  -9.144 -16.690
  251    HA   SER  32           HA       SER  32   9.391 -10.309 -19.108
  252   1HB   SER  32          HB2       SER  32  12.225  -9.839 -18.121
  253   2HB   SER  32          HB3       SER  32  11.607  -9.689 -19.776
  254    HG   SER  32           HG       SER  32  11.861  -7.658 -18.737
  255    H    SER  33           H        SER  33  11.026 -11.838 -16.356
  256    HA   SER  33           HA       SER  33  12.138 -14.075 -17.704
  257   1HB   SER  33          HB2       SER  33  11.602 -14.887 -15.092
  258   2HB   SER  33          HB3       SER  33  13.075 -14.124 -15.688
  259    HG   SER  33           HG       SER  33  10.810 -12.788 -14.573
  260    H    LYS  34           H        LYS  34   8.823 -13.376 -16.680
  261    HA   LYS  34           HA       LYS  34   8.051 -16.201 -17.334
  262   1HB   LYS  34          HB2       LYS  34   6.719 -14.240 -15.435
  263   2HB   LYS  34          HB3       LYS  34   6.196 -15.896 -15.777
  264   1HG   LYS  34          HG2       LYS  34   8.274 -16.808 -14.825
  265   2HG   LYS  34          HG3       LYS  34   8.882 -15.174 -14.540
  266   1HD   LYS  34          HD2       LYS  34   6.790 -14.791 -13.082
  267   2HD   LYS  34          HD3       LYS  34   6.517 -16.531 -13.210
  268   1HE   LYS  34          HE2       LYS  34   7.652 -16.034 -11.132
  269   2HE   LYS  34          HE3       LYS  34   8.731 -16.967 -12.175
  270   1HZ   LYS  34          HZ1       LYS  34   9.936 -14.974 -12.672
  271   2HZ   LYS  34          HZ2       LYS  34   8.831 -14.005 -11.970
  272   3HZ   LYS  34          HZ3       LYS  34   9.762 -15.007 -11.045
  273    H    GLY  35           H        GLY  35   7.547 -12.841 -18.171
  274   1HA   GLY  35          HA2       GLY  35   6.886 -12.222 -20.289
  275   2HA   GLY  35          HA3       GLY  35   6.113 -13.791 -20.550
  276    H    TYR  36           H        TYR  36   5.465 -11.685 -17.689
  277    HA   TYR  36           HA       TYR  36   3.048 -10.585 -18.851
  278   1HB   TYR  36          HB2       TYR  36   1.600 -11.581 -16.994
  279   2HB   TYR  36          HB3       TYR  36   1.987 -12.591 -18.363
  280    HD1  TYR  36           HD1      TYR  36   2.889 -14.745 -18.053
  281    HD2  TYR  36           HD2      TYR  36   3.014 -11.902 -14.813
  282    HE1  TYR  36           HE1      TYR  36   3.500 -16.562 -16.489
  283    HE2  TYR  36           HE2      TYR  36   3.641 -13.707 -13.242
  284    HH   TYR  36           HH       TYR  36   3.969 -16.002 -12.969
  285    H    TRP  37           H        TRP  37   1.863  -9.211 -17.168
  286    HA   TRP  37           HA       TRP  37   3.831  -7.698 -15.596
  287   1HB   TRP  37          HB2       TRP  37   0.867  -7.386 -16.146
  288   2HB   TRP  37          HB3       TRP  37   1.713  -6.422 -14.958
  289    HD1  TRP  37           HD1      TRP  37   1.405  -6.832 -18.738
  290    HE1  TRP  37           HE1      TRP  37   2.363  -4.770 -19.891
  291    HE3  TRP  37           HE3      TRP  37   3.461  -4.542 -14.663
  292    HZ2  TRP  37           HZ2      TRP  37   3.857  -2.386 -19.131
  293    HZ3  TRP  37           HZ3      TRP  37   4.672  -2.383 -14.904
  294    HH2  TRP  37           HH2      TRP  37   4.863  -1.297 -17.127
  295    H    VAL  38           H        VAL  38   3.675  -7.439 -13.363
  296    HA   VAL  38           HA       VAL  38   1.959  -9.244 -11.786
  297    HB   VAL  38           HB       VAL  38   4.969  -8.891 -11.404
  298   1HG1  VAL  38          1HG1      VAL  38   2.938 -10.634  -9.933
  299   2HG1  VAL  38          2HG1      VAL  38   4.699 -10.744  -9.729
  300   3HG1  VAL  38          3HG1      VAL  38   3.858  -9.269  -9.266
  301   1HG2  VAL  38          1HG2      VAL  38   5.175 -11.314 -11.957
  302   2HG2  VAL  38          2HG2      VAL  38   3.473 -11.321 -12.460
  303   3HG2  VAL  38          3HG2      VAL  38   4.661 -10.344 -13.335
  304    H    GLY  39           H        GLY  39   1.534  -8.209  -9.636
  305   1HA   GLY  39          HA2       GLY  39   2.902  -5.729  -9.018
  306   2HA   GLY  39          HA3       GLY  39   1.269  -5.457  -9.632
  307    H    ILE  40           H        ILE  40   1.838  -4.518  -7.323
  308    HA   ILE  40           HA       ILE  40   0.525  -6.187  -5.239
  309    HB   ILE  40           HB       ILE  40   2.377  -3.769  -4.894
  310   1HG1  ILE  40          2HG1      ILE  40   3.012  -6.673  -4.213
  311   2HG1  ILE  40          3HG1      ILE  40   3.681  -5.781  -5.580
  312   1HG2  ILE  40          1HG2      ILE  40   0.564  -3.990  -3.180
  313   2HG2  ILE  40          2HG2      ILE  40   1.164  -5.616  -2.792
  314   3HG2  ILE  40          3HG2      ILE  40   2.162  -4.179  -2.482
  315   1HD1  ILE  40          1HD1      ILE  40   4.684  -4.128  -3.986
  316   2HD1  ILE  40          2HD1      ILE  40   4.176  -5.186  -2.644
  317   3HD1  ILE  40          3HD1      ILE  40   5.323  -5.778  -3.852
  318    H    TYR  41           H        TYR  41  -1.573  -5.344  -4.916
  319    HA   TYR  41           HA       TYR  41  -2.100  -2.615  -5.983
  320   1HB   TYR  41          HB2       TYR  41  -2.461  -5.095  -7.425
  321   2HB   TYR  41          HB3       TYR  41  -4.045  -4.515  -6.985
  322    HD1  TYR  41           HD1      TYR  41  -1.494  -4.281  -9.428
  323    HD2  TYR  41           HD2      TYR  41  -4.361  -1.862  -7.325
  324    HE1  TYR  41           HE1      TYR  41  -1.584  -2.720 -11.358
  325    HE2  TYR  41           HE2      TYR  41  -4.453  -0.286  -9.248
  326    HH   TYR  41           HH       TYR  41  -3.487   0.319 -11.225
  327    H    GLU  42           H        GLU  42  -3.597  -1.557  -4.774
  328    HA   GLU  42           HA       GLU  42  -5.269  -3.182  -2.936
  329   1HB   GLU  42          HB2       GLU  42  -3.694  -1.188  -2.170
  330   2HB   GLU  42          HB3       GLU  42  -5.001  -0.174  -2.759
  331   1HG   GLU  42          HG2       GLU  42  -6.597  -1.414  -1.270
  332   2HG   GLU  42          HG3       GLU  42  -5.255  -2.398  -0.690
  333    H    VAL  43           H        VAL  43  -5.754  -3.137  -5.816
  334    HA   VAL  43           HA       VAL  43  -8.524  -2.596  -5.618
  335    HB   VAL  43           HB       VAL  43  -8.014  -0.313  -6.180
  336   1HG1  VAL  43          1HG1      VAL  43  -7.088   0.453  -8.284
  337   2HG1  VAL  43          2HG1      VAL  43  -5.912  -0.388  -7.290
  338   3HG1  VAL  43          3HG1      VAL  43  -6.635  -1.208  -8.703
  339   1HG2  VAL  43          1HG2      VAL  43  -9.175  -1.601  -8.661
  340   2HG2  VAL  43          2HG2      VAL  43 -10.054  -1.364  -7.136
  341   3HG2  VAL  43          3HG2      VAL  43  -9.447   0.038  -8.046
  342    H    TRP  44           H        TRP  44  -5.895  -3.260  -8.031
  343    HA   TRP  44           HA       TRP  44  -7.643  -4.591  -9.803
  344   1HB   TRP  44          HB2       TRP  44  -5.372  -3.571 -10.284
  345   2HB   TRP  44          HB3       TRP  44  -4.648  -4.980  -9.509
  346    HD1  TRP  44           HD1      TRP  44  -7.573  -5.199 -12.026
  347    HE1  TRP  44           HE1      TRP  44  -6.825  -6.459 -14.080
  348    HE3  TRP  44           HE3      TRP  44  -2.578  -5.570 -10.945
  349    HZ2  TRP  44           HZ2      TRP  44  -4.337  -7.500 -15.172
  350    HZ3  TRP  44           HZ3      TRP  44  -1.027  -6.657 -12.540
  351    HH2  TRP  44           HH2      TRP  44  -1.895  -7.647 -14.645
  352    H    ASP  45           H        ASP  45  -7.463  -6.948 -10.433
  353    HA   ASP  45           HA       ASP  45  -7.072  -8.764  -8.108
  354   1HB   ASP  45          HB2       ASP  45  -9.391  -8.023  -7.954
  355   2HB   ASP  45          HB3       ASP  45  -9.675  -8.454  -9.643
  356    H    ARG  46           H        ARG  46  -8.061  -8.621 -11.606
  357    HA   ARG  46           HA       ARG  46  -5.820 -10.166 -12.340
  358   1HB   ARG  46          HB2       ARG  46  -7.740 -11.917 -11.405
  359   2HB   ARG  46          HB3       ARG  46  -8.197 -11.859 -13.091
  360   1HG   ARG  46          HG2       ARG  46  -5.328 -12.333 -12.187
  361   2HG   ARG  46          HG3       ARG  46  -6.494 -13.646 -12.282
  362   1HD   ARG  46          HD2       ARG  46  -6.677 -13.546 -14.615
  363   2HD   ARG  46          HD3       ARG  46  -6.021 -11.914 -14.713
  364    HE   ARG  46           HE       ARG  46  -3.841 -12.746 -14.033
  365   1HH1  ARG  46          1HH2      ARG  46  -6.033 -15.080 -15.603
  366   2HH1  ARG  46          2HH2      ARG  46  -4.761 -16.153 -16.057
  367   1HH2  ARG  46          1HH1      ARG  46  -2.243 -14.181 -14.481
  368   2HH2  ARG  46          2HH1      ARG  46  -2.510 -15.617 -15.433
  369    H    LYS  47           H        LYS  47  -9.192  -9.465 -13.327
  370    HA   LYS  47           HA       LYS  47  -8.860  -9.689 -16.070
  371   1HB   LYS  47          HB2       LYS  47 -11.030  -9.550 -14.852
  372   2HB   LYS  47          HB3       LYS  47 -10.754  -7.819 -14.580
  373   1HG   LYS  47          HG2       LYS  47 -10.772  -7.424 -17.026
  374   2HG   LYS  47          HG3       LYS  47 -10.984  -9.165 -17.311
  375   1HD   LYS  47          HD2       LYS  47 -13.150  -9.092 -16.097
  376   2HD   LYS  47          HD3       LYS  47 -12.929  -7.350 -15.812
  377   1HE   LYS  47          HE2       LYS  47 -12.873  -6.963 -18.268
  378   2HE   LYS  47          HE3       LYS  47 -13.094  -8.694 -18.549
  379   1HZ   LYS  47          HZ1       LYS  47 -15.180  -7.501 -18.718
  380   2HZ   LYS  47          HZ2       LYS  47 -15.256  -8.528 -17.457
  381   3HZ   LYS  47          HZ3       LYS  47 -15.051  -6.925 -17.200
  Start of MODEL    7
    1   1H    ALA   1          H1        ALA   1  -6.926  -2.855   1.653
    2   2H    ALA   1          H2        ALA   1  -8.169  -3.901   1.401
    3   3H    ALA   1          H3        ALA   1  -7.765  -3.454   2.938
    4    HA   ALA   1           HA       ALA   1  -5.607  -4.487   2.702
    5   1HB   ALA   1          HB1       ALA   1  -6.357  -6.854   2.743
    6   2HB   ALA   1          HB2       ALA   1  -7.375  -5.817   3.758
    7   3HB   ALA   1          HB3       ALA   1  -7.964  -6.355   2.170
    8    H    ILE   2           H        ILE   2  -4.021  -4.717   1.249
    9    HA   ILE   2           HA       ILE   2  -4.340  -4.651  -1.541
   10    HB   ILE   2           HB       ILE   2  -1.942  -5.458  -1.581
   11   1HG1  ILE   2          2HG1      ILE   2  -2.046  -5.268   1.455
   12   2HG1  ILE   2          3HG1      ILE   2  -2.141  -6.802   0.585
   13   1HG2  ILE   2          1HG2      ILE   2  -1.056  -3.360  -0.586
   14   2HG2  ILE   2          2HG2      ILE   2  -2.457  -3.122  -1.609
   15   3HG2  ILE   2          3HG2      ILE   2  -2.640  -3.063   0.163
   16   1HD1  ILE   2          1HD1      ILE   2   0.196  -4.849   0.484
   17   2HD1  ILE   2          2HD1      ILE   2   0.145  -6.421   1.292
   18   3HD1  ILE   2          3HD1      ILE   2   0.059  -6.341  -0.478
   19    H    LYS   3           H        LYS   3  -3.514  -6.215  -3.070
   20    HA   LYS   3           HA       LYS   3  -3.893  -9.083  -2.507
   21   1HB   LYS   3          HB2       LYS   3  -5.107  -7.542  -4.864
   22   2HB   LYS   3          HB3       LYS   3  -5.133  -9.293  -4.688
   23   1HG   LYS   3          HG2       LYS   3  -6.529  -7.321  -2.824
   24   2HG   LYS   3          HG3       LYS   3  -7.300  -8.184  -4.144
   25   1HD   LYS   3          HD2       LYS   3  -7.071 -10.298  -3.113
   26   2HD   LYS   3          HD3       LYS   3  -5.909  -9.731  -1.920
   27   1HE   LYS   3          HE2       LYS   3  -8.814  -8.807  -2.046
   28   2HE   LYS   3          HE3       LYS   3  -8.219 -10.127  -1.036
   29   1HZ   LYS   3          HZ1       LYS   3  -8.264  -8.201   0.294
   30   2HZ   LYS   3          HZ2       LYS   3  -6.673  -8.477  -0.016
   31   3HZ   LYS   3          HZ3       LYS   3  -7.449  -7.274  -0.786
   32    H    LEU   4           H        LEU   4  -2.867 -10.303  -4.345
   33    HA   LEU   4           HA       LEU   4  -0.631  -8.800  -5.634
   34   1HB   LEU   4          HB2       LEU   4  -0.592 -11.653  -4.557
   35   2HB   LEU   4          HB3       LEU   4   0.707 -10.861  -5.445
   36    HG   LEU   4           HG       LEU   4  -0.313 -10.071  -2.677
   37   1HD1  LEU   4          1HD1      LEU   4   0.959 -12.183  -2.708
   38   2HD1  LEU   4          2HD1      LEU   4   2.307 -11.368  -3.535
   39   3HD1  LEU   4          3HD1      LEU   4   1.853 -10.898  -1.881
   40   1HD2  LEU   4          1HD2      LEU   4   1.966  -8.911  -4.336
   41   2HD2  LEU   4          2HD2      LEU   4   0.500  -8.067  -3.787
   42   3HD2  LEU   4          3HD2      LEU   4   1.700  -8.585  -2.605
   43    H    VAL   5           H        VAL   5  -0.485  -9.190  -7.823
   44    HA   VAL   5           HA       VAL   5  -2.506 -11.034  -9.007
   45    HB   VAL   5           HB       VAL   5  -2.146  -8.132  -9.833
   46   1HG1  VAL   5          1HG1      VAL   5  -4.367 -10.173 -10.354
   47   2HG1  VAL   5          2HG1      VAL   5  -4.350  -8.487 -10.920
   48   3HG1  VAL   5          3HG1      VAL   5  -3.157  -9.617 -11.537
   49   1HG2  VAL   5          1HG2      VAL   5  -4.278  -9.198  -7.936
   50   2HG2  VAL   5          2HG2      VAL   5  -3.040  -7.969  -7.573
   51   3HG2  VAL   5          3HG2      VAL   5  -4.310  -7.609  -8.731
   52    H    GLN   6           H        GLN   6  -1.979 -11.759 -11.081
   53    HA   GLN   6           HA       GLN   6   0.502 -10.884 -12.393
   54   1HB   GLN   6          HB2       GLN   6  -0.091 -13.811 -11.737
   55   2HB   GLN   6          HB3       GLN   6   1.300 -13.174 -12.617
   56   1HG   GLN   6          HG2       GLN   6   2.020 -12.000 -10.532
   57   2HG   GLN   6          HG3       GLN   6   0.697 -12.763  -9.654
   58   1HE2  GLN   6          2HE2      GLN   6   3.896 -13.014  -9.823
   59   2HE2  GLN   6          1HE2      GLN   6   4.104 -14.741  -9.722
   60    H    SER   7           H        SER   7  -0.195 -10.545 -14.525
   61    HA   SER   7           HA       SER   7  -1.641 -12.485 -16.012
   62   1HB   SER   7          HB2       SER   7  -3.225 -10.073 -15.033
   63   2HB   SER   7          HB3       SER   7  -3.620 -10.869 -16.568
   64    HG   SER   7           HG       SER   7  -3.226 -12.372 -14.246
   65    HA   PRO   8           HA       PRO   8   0.545 -10.202 -19.014
   66   1HB   PRO   8          HB2       PRO   8  -0.679 -10.809 -21.396
   67   2HB   PRO   8          HB3       PRO   8   0.258 -11.987 -20.430
   68   1HG   PRO   8          HG2       PRO   8  -2.748 -11.579 -20.461
   69   2HG   PRO   8          HG3       PRO   8  -1.838 -13.118 -20.596
   70   1HD   PRO   8          HD2       PRO   8  -2.874 -12.289 -18.228
   71   2HD   PRO   8          HD3       PRO   8  -1.281 -13.098 -18.301
   72    H    ASN   9           H        ASN   9  -2.954  -9.492 -18.914
   73    HA   ASN   9           HA       ASN   9  -2.835  -7.282 -20.710
   74   1HB   ASN   9          HB2       ASN   9  -5.029  -6.674 -19.978
   75   2HB   ASN   9          HB3       ASN   9  -4.953  -8.412 -20.183
   76   1HD2  ASN   9          2HD2      ASN   9  -5.632  -9.685 -18.423
   77   2HD2  ASN   9          1HD2      ASN   9  -6.010  -9.029 -16.848
   78    H    GLY  10           H        GLY  10  -2.107  -7.476 -17.254
   79   1HA   GLY  10          HA2       GLY  10  -1.379  -5.926 -15.739
   80   2HA   GLY  10          HA3       GLY  10  -0.548  -5.229 -17.133
   81    H    ASN  11           H        ASN  11  -4.104  -5.232 -16.773
   82    HA   ASN  11           HA       ASN  11  -4.269  -2.617 -17.727
   83   1HB   ASN  11          HB2       ASN  11  -6.123  -4.202 -17.893
   84   2HB   ASN  11          HB3       ASN  11  -6.300  -4.215 -16.134
   85   1HD2  ASN  11          2HD2      ASN  11  -8.409  -3.346 -16.007
   86   2HD2  ASN  11          1HD2      ASN  11  -8.787  -1.712 -16.536
   87    H    PHE  12           H        PHE  12  -3.427  -0.851 -16.743
   88    HA   PHE  12           HA       PHE  12  -3.295  -0.455 -13.912
   89   1HB   PHE  12          HB2       PHE  12  -1.734   0.656 -15.349
   90   2HB   PHE  12          HB3       PHE  12  -3.013   1.390 -16.307
   91    HD1  PHE  12           HD1      PHE  12  -1.454   1.365 -12.899
   92    HD2  PHE  12           HD2      PHE  12  -3.909   3.532 -15.711
   93    HE1  PHE  12           HE1      PHE  12  -1.370   3.363 -11.436
   94    HE2  PHE  12           HE2      PHE  12  -3.803   5.535 -14.251
   95    HZ   PHE  12           HZ       PHE  12  -2.542   5.454 -12.107
   96    H    ALA  13           H        ALA  13  -5.043  -0.177 -12.629
   97    HA   ALA  13           HA       ALA  13  -7.562   0.826 -13.803
   98   1HB   ALA  13          HB1       ALA  13  -7.536  -1.363 -12.688
   99   2HB   ALA  13          HB2       ALA  13  -6.989  -0.597 -11.178
  100   3HB   ALA  13          HB3       ALA  13  -8.593  -0.220 -11.837
  101    H    ALA  14           H        ALA  14  -5.056   2.171 -12.009
  102    HA   ALA  14           HA       ALA  14  -4.674   3.851 -10.640
  103   1HB   ALA  14          HB1       ALA  14  -5.611   5.177 -12.477
  104   2HB   ALA  14          HB2       ALA  14  -7.224   5.075 -11.745
  105   3HB   ALA  14          HB3       ALA  14  -5.916   5.921 -10.896
  106    H    SER  15           H        SER  15  -8.284   3.665 -10.265
  107    HA   SER  15           HA       SER  15  -8.117   2.793  -7.543
  108   1HB   SER  15          HB2       SER  15  -9.142   4.964  -6.615
  109   2HB   SER  15          HB3       SER  15  -7.413   4.978  -6.964
  110    HG   SER  15           HG       SER  15  -8.465   6.854  -7.746
  111    H    PHE  16           H        PHE  16 -10.306   2.788  -6.496
  112    HA   PHE  16           HA       PHE  16 -12.670   3.084  -8.140
  113   1HB   PHE  16          HB2       PHE  16 -11.581   0.904  -8.938
  114   2HB   PHE  16          HB3       PHE  16 -11.795   0.289  -7.306
  115    HD1  PHE  16           HD1      PHE  16 -13.975   2.092  -9.839
  116    HD2  PHE  16           HD2      PHE  16 -13.486  -1.313  -7.226
  117    HE1  PHE  16           HE1      PHE  16 -16.195   1.234 -10.533
  118    HE2  PHE  16           HE2      PHE  16 -15.702  -2.170  -7.940
  119    HZ   PHE  16           HZ       PHE  16 -17.065  -0.895  -9.583
  120    H    VAL  17           H        VAL  17 -14.561   1.889  -6.751
  121    HA   VAL  17           HA       VAL  17 -14.020   1.960  -3.860
  122    HB   VAL  17           HB       VAL  17 -16.296   3.510  -5.168
  123   1HG1  VAL  17          1HG1      VAL  17 -16.976   2.462  -3.019
  124   2HG1  VAL  17          2HG1      VAL  17 -15.573   3.200  -2.216
  125   3HG1  VAL  17          3HG1      VAL  17 -16.869   4.217  -2.876
  126   1HG2  VAL  17          1HG2      VAL  17 -14.213   4.796  -5.341
  127   2HG2  VAL  17          2HG2      VAL  17 -15.248   5.511  -4.108
  128   3HG2  VAL  17          3HG2      VAL  17 -13.861   4.510  -3.623
  129    H    LEU  18           H        LEU  18 -15.000   0.210  -2.939
  130    HA   LEU  18           HA       LEU  18 -17.214  -1.233  -4.189
  131   1HB   LEU  18          HB2       LEU  18 -15.315  -2.084  -5.504
  132   2HB   LEU  18          HB3       LEU  18 -14.374  -2.349  -4.052
  133    HG   LEU  18           HG       LEU  18 -16.000  -4.120  -3.332
  134   1HD1  LEU  18          1HD1      LEU  18 -17.542  -5.056  -5.029
  135   2HD1  LEU  18          2HD1      LEU  18 -18.003  -3.401  -4.622
  136   3HD1  LEU  18          3HD1      LEU  18 -17.143  -3.728  -6.140
  137   1HD2  LEU  18          1HD2      LEU  18 -14.702  -4.511  -6.059
  138   2HD2  LEU  18          2HD2      LEU  18 -13.903  -4.678  -4.480
  139   3HD2  LEU  18          3HD2      LEU  18 -15.195  -5.798  -4.936
  140    H    ASP  19           H        ASP  19 -18.228  -2.464  -2.604
  141    HA   ASP  19           HA       ASP  19 -18.959  -2.908  -0.539
  142   1HB   ASP  19          HB2       ASP  19 -17.513  -4.816  -1.025
  143   2HB   ASP  19          HB3       ASP  19 -16.157  -4.016  -0.222
  144    H    GLY  20           H        GLY  20 -18.554  -0.312  -0.627
  145   1HA   GLY  20          HA2       GLY  20 -18.445   1.547   0.673
  146   2HA   GLY  20          HA3       GLY  20 -18.500   0.460   2.070
  147    H    THR  21           H        THR  21 -15.807   0.223  -0.209
  148    HA   THR  21           HA       THR  21 -13.962   1.576   1.694
  149    HB   THR  21           HB       THR  21 -13.610  -1.156   0.368
  150    HG1  THR  21           HG1      THR  21 -15.179  -1.313   1.937
  151   1HG2  THR  21          1HG2      THR  21 -11.975   0.255   2.522
  152   2HG2  THR  21          2HG2      THR  21 -11.766  -1.439   2.020
  153   3HG2  THR  21          3HG2      THR  21 -11.452  -0.143   0.869
  154    H    LYS  22           H        LYS  22 -12.090   2.469   0.624
  155    HA   LYS  22           HA       LYS  22 -12.427   2.879  -2.295
  156   1HB   LYS  22          HB2       LYS  22 -12.099   4.842  -0.796
  157   2HB   LYS  22          HB3       LYS  22 -10.504   4.217  -0.340
  158   1HG   LYS  22          HG2       LYS  22  -9.720   4.435  -2.657
  159   2HG   LYS  22          HG3       LYS  22 -11.351   4.875  -3.202
  160   1HD   LYS  22          HD2       LYS  22 -11.250   6.936  -1.829
  161   2HD   LYS  22          HD3       LYS  22  -9.617   6.490  -1.279
  162   1HE   LYS  22          HE2       LYS  22  -8.817   6.521  -3.631
  163   2HE   LYS  22          HE3       LYS  22 -10.442   6.940  -4.187
  164   1HZ   LYS  22          HZ1       LYS  22  -9.037   8.892  -4.020
  165   2HZ   LYS  22          HZ2       LYS  22 -10.259   9.023  -2.953
  166   3HZ   LYS  22          HZ3       LYS  22  -8.755   8.638  -2.436
  167    H    TRP  23           H        TRP  23 -10.707   2.447  -3.729
  168    HA   TRP  23           HA       TRP  23  -8.709   0.403  -2.901
  169   1HB   TRP  23          HB2       TRP  23 -10.800   0.332  -5.127
  170   2HB   TRP  23          HB3       TRP  23  -9.530  -0.833  -4.986
  171    HD1  TRP  23           HD1      TRP  23 -12.732   0.243  -3.342
  172    HE1  TRP  23           HE1      TRP  23 -13.634  -1.536  -1.761
  173    HE3  TRP  23           HE3      TRP  23  -8.828  -3.052  -3.574
  174    HZ2  TRP  23           HZ2      TRP  23 -12.743  -4.087  -0.694
  175    HZ3  TRP  23           HZ3      TRP  23  -8.885  -5.156  -2.286
  176    HH2  TRP  23           HH2      TRP  23 -10.843  -5.695  -0.847
  177    H    ILE  24           H        ILE  24  -6.760   0.571  -4.212
  178    HA   ILE  24           HA       ILE  24  -6.502   2.745  -6.127
  179    HB   ILE  24           HB       ILE  24  -6.676   3.914  -3.972
  180   1HG1  ILE  24          2HG1      ILE  24  -3.855   4.207  -5.049
  181   2HG1  ILE  24          3HG1      ILE  24  -5.296   4.772  -5.900
  182   1HG2  ILE  24          1HG2      ILE  24  -4.090   2.534  -3.146
  183   2HG2  ILE  24          2HG2      ILE  24  -4.982   3.764  -2.230
  184   3HG2  ILE  24          3HG2      ILE  24  -5.697   2.176  -2.481
  185   1HD1  ILE  24          1HD1      ILE  24  -4.330   5.732  -3.175
  186   2HD1  ILE  24          2HD1      ILE  24  -4.310   6.622  -4.705
  187   3HD1  ILE  24          3HD1      ILE  24  -5.862   6.220  -3.943
  188    H    PHE  25           H        PHE  25  -4.404   2.858  -7.086
  189    HA   PHE  25           HA       PHE  25  -2.907   0.487  -7.440
  190   1HB   PHE  25          HB2       PHE  25  -3.017   2.302  -9.059
  191   2HB   PHE  25          HB3       PHE  25  -2.358   3.442  -7.897
  192    HD1  PHE  25           HD1      PHE  25  -1.211   0.035  -9.103
  193    HD2  PHE  25           HD2      PHE  25  -0.283   4.220  -8.622
  194    HE1  PHE  25           HE1      PHE  25   1.027  -0.361 -10.029
  195    HE2  PHE  25           HE2      PHE  25   1.981   3.812  -9.542
  196    HZ   PHE  25           HZ       PHE  25   2.649   1.523 -10.254
  197    H    LYS  26           H        LYS  26  -0.699  -0.004  -6.858
  198    HA   LYS  26           HA       LYS  26   0.550   1.601  -4.749
  199   1HB   LYS  26          HB2       LYS  26  -0.733  -0.307  -3.661
  200   2HB   LYS  26          HB3       LYS  26   0.396  -1.413  -4.411
  201   1HG   LYS  26          HG2       LYS  26   1.092   0.773  -2.410
  202   2HG   LYS  26          HG3       LYS  26   0.928  -0.955  -2.074
  203   1HD   LYS  26          HD2       LYS  26   2.798  -1.365  -3.749
  204   2HD   LYS  26          HD3       LYS  26   3.050   0.400  -3.762
  205   1HE   LYS  26          HE2       LYS  26   3.407   0.332  -1.293
  206   2HE   LYS  26          HE3       LYS  26   3.270  -1.432  -1.348
  207   1HZ   LYS  26          HZ1       LYS  26   5.326   0.192  -2.736
  208   2HZ   LYS  26          HZ2       LYS  26   5.576  -0.772  -1.443
  209   3HZ   LYS  26          HZ3       LYS  26   5.183  -1.422  -2.892
  210    H    SER  27           H        SER  27   1.288  -1.552  -6.545
  211    HA   SER  27           HA       SER  27   3.445  -0.137  -8.001
  212   1HB   SER  27          HB2       SER  27   3.940  -2.565  -6.215
  213   2HB   SER  27          HB3       SER  27   5.123  -1.807  -7.286
  214    HG   SER  27           HG       SER  27   5.021   0.059  -6.006
  215    H    LYS  28           H        LYS  28   4.027  -1.201  -9.965
  216    HA   LYS  28           HA       LYS  28   3.183  -3.944 -10.419
  217   1HB   LYS  28          HB2       LYS  28   1.897  -3.555 -12.422
  218   2HB   LYS  28          HB3       LYS  28   1.152  -2.705 -11.075
  219   1HG   LYS  28          HG2       LYS  28   2.432  -0.601 -11.938
  220   2HG   LYS  28          HG3       LYS  28   2.715  -1.522 -13.406
  221   1HD   LYS  28          HD2       LYS  28  -0.000  -0.862 -12.197
  222   2HD   LYS  28          HD3       LYS  28   0.738   0.011 -13.524
  223   1HE   LYS  28          HE2       LYS  28   0.023  -2.959 -13.660
  224   2HE   LYS  28          HE3       LYS  28  -1.086  -1.668 -14.101
  225   1HZ   LYS  28          HZ1       LYS  28  -0.068  -2.406 -16.049
  226   2HZ   LYS  28          HZ2       LYS  28   0.573  -0.935 -15.767
  227   3HZ   LYS  28          HZ3       LYS  28   1.468  -2.277 -15.468
  228    H    TYR  29           H        TYR  29   4.341  -4.910 -12.184
  229    HA   TYR  29           HA       TYR  29   6.229  -3.304 -13.724
  230   1HB   TYR  29          HB2       TYR  29   8.208  -4.432 -12.998
  231   2HB   TYR  29          HB3       TYR  29   7.458  -3.723 -11.588
  232    HD1  TYR  29           HD1      TYR  29   8.705  -6.765 -13.103
  233    HD2  TYR  29           HD2      TYR  29   6.133  -5.256  -9.982
  234    HE1  TYR  29           HE1      TYR  29   8.858  -8.936 -11.940
  235    HE2  TYR  29           HE2      TYR  29   6.274  -7.433  -8.811
  236    HH   TYR  29           HH       TYR  29   8.223 -10.182 -10.071
  237    H    TYR  30           H        TYR  30   7.251  -4.667 -15.416
  238    HA   TYR  30           HA       TYR  30   5.506  -6.933 -16.205
  239   1HB   TYR  30          HB2       TYR  30   5.969  -5.078 -17.809
  240   2HB   TYR  30          HB3       TYR  30   7.679  -5.491 -17.764
  241    HD1  TYR  30           HD1      TYR  30   8.502  -7.133 -19.309
  242    HD2  TYR  30           HD2      TYR  30   4.282  -6.932 -18.454
  243    HE1  TYR  30           HE1      TYR  30   8.061  -8.710 -21.161
  244    HE2  TYR  30           HE2      TYR  30   3.822  -8.510 -20.309
  245    HH   TYR  30           HH       TYR  30   6.423  -9.820 -22.414
  246    H    ASP  31           H        ASP  31   6.189  -8.937 -15.694
  247    HA   ASP  31           HA       ASP  31   8.960  -9.351 -14.734
  248   1HB   ASP  31          HB2       ASP  31   7.169 -10.188 -13.302
  249   2HB   ASP  31          HB3       ASP  31   6.513 -11.146 -14.632
  250    H    SER  32           H        SER  32   9.855  -9.017 -16.871
  251    HA   SER  32           HA       SER  32   9.169 -10.242 -19.208
  252   1HB   SER  32          HB2       SER  32  12.035  -9.751 -18.332
  253   2HB   SER  32          HB3       SER  32  11.362  -9.651 -19.969
  254    HG   SER  32           HG       SER  32  11.629  -7.590 -18.994
  255    H    SER  33           H        SER  33  10.867 -11.822 -16.507
  256    HA   SER  33           HA       SER  33  11.930 -14.045 -17.877
  257   1HB   SER  33          HB2       SER  33  10.861 -13.928 -15.032
  258   2HB   SER  33          HB3       SER  33  12.099 -15.025 -15.669
  259    HG   SER  33           HG       SER  33  12.984 -13.217 -14.535
  260    H    LYS  34           H        LYS  34   8.588 -13.307 -17.070
  261    HA   LYS  34           HA       LYS  34   7.768 -15.999 -18.092
  262   1HB   LYS  34          HB2       LYS  34   6.561 -14.373 -15.826
  263   2HB   LYS  34          HB3       LYS  34   5.740 -15.731 -16.607
  264   1HG   LYS  34          HG2       LYS  34   7.623 -17.235 -15.983
  265   2HG   LYS  34          HG3       LYS  34   8.399 -15.891 -15.120
  266   1HD   LYS  34          HD2       LYS  34   6.446 -15.699 -13.626
  267   2HD   LYS  34          HD3       LYS  34   5.629 -17.011 -14.506
  268   1HE   LYS  34          HE2       LYS  34   7.488 -18.554 -13.903
  269   2HE   LYS  34          HE3       LYS  34   8.276 -17.250 -13.006
  270   1HZ   LYS  34          HZ1       LYS  34   7.004 -18.683 -11.545
  271   2HZ   LYS  34          HZ2       LYS  34   6.346 -17.191 -11.533
  272   3HZ   LYS  34          HZ3       LYS  34   5.623 -18.403 -12.361
  273    H    GLY  35           H        GLY  35   7.537 -12.548 -18.422
  274   1HA   GLY  35          HA2       GLY  35   6.776 -11.436 -20.264
  275   2HA   GLY  35          HA3       GLY  35   6.185 -12.959 -20.953
  276    H    TYR  36           H        TYR  36   5.372 -11.320 -17.828
  277    HA   TYR  36           HA       TYR  36   2.803 -10.485 -18.836
  278   1HB   TYR  36          HB2       TYR  36   1.434 -11.584 -17.180
  279   2HB   TYR  36          HB3       TYR  36   2.168 -12.723 -18.274
  280    HD1  TYR  36           HD1      TYR  36   4.687 -11.988 -15.791
  281    HD2  TYR  36           HD2      TYR  36   0.960 -14.085 -16.404
  282    HE1  TYR  36           HE1      TYR  36   5.192 -13.436 -13.882
  283    HE2  TYR  36           HE2      TYR  36   1.482 -15.563 -14.498
  284    HH   TYR  36           HH       TYR  36   3.008 -16.076 -12.807
  285    H    TRP  37           H        TRP  37   1.581  -9.249 -16.977
  286    HA   TRP  37           HA       TRP  37   3.604  -7.606 -15.581
  287   1HB   TRP  37          HB2       TRP  37   0.618  -7.331 -16.016
  288   2HB   TRP  37          HB3       TRP  37   1.503  -6.356 -14.860
  289    HD1  TRP  37           HD1      TRP  37   1.192  -6.877 -18.642
  290    HE1  TRP  37           HE1      TRP  37   2.164  -4.865 -19.868
  291    HE3  TRP  37           HE3      TRP  37   3.117  -4.378 -14.625
  292    HZ2  TRP  37           HZ2      TRP  37   3.589  -2.420 -19.180
  293    HZ3  TRP  37           HZ3      TRP  37   4.301  -2.207 -14.939
  294    HH2  TRP  37           HH2      TRP  37   4.524  -1.221 -17.205
  295    H    VAL  38           H        VAL  38   3.551  -7.356 -13.354
  296    HA   VAL  38           HA       VAL  38   1.968  -9.208 -11.697
  297    HB   VAL  38           HB       VAL  38   4.994  -8.788 -11.579
  298   1HG1  VAL  38          1HG1      VAL  38   4.210  -8.935  -9.303
  299   2HG1  VAL  38          2HG1      VAL  38   3.162 -10.311  -9.677
  300   3HG1  VAL  38          3HG1      VAL  38   4.934 -10.482  -9.718
  301   1HG2  VAL  38          1HG2      VAL  38   4.477 -10.403 -13.312
  302   2HG2  VAL  38          2HG2      VAL  38   5.122 -11.266 -11.920
  303   3HG2  VAL  38          3HG2      VAL  38   3.373 -11.281 -12.245
  304    H    GLY  39           H        GLY  39   1.552  -8.178  -9.572
  305   1HA   GLY  39          HA2       GLY  39   2.890  -5.683  -8.962
  306   2HA   GLY  39          HA3       GLY  39   1.231  -5.429  -9.510
  307    H    ILE  40           H        ILE  40   1.912  -4.557  -7.187
  308    HA   ILE  40           HA       ILE  40   0.551  -6.252  -5.158
  309    HB   ILE  40           HB       ILE  40   2.426  -3.872  -4.696
  310   1HG1  ILE  40          2HG1      ILE  40   3.044  -6.803  -4.137
  311   2HG1  ILE  40          3HG1      ILE  40   3.737  -5.852  -5.450
  312   1HG2  ILE  40          1HG2      ILE  40   2.153  -4.388  -2.309
  313   2HG2  ILE  40          2HG2      ILE  40   0.573  -4.160  -3.039
  314   3HG2  ILE  40          3HG2      ILE  40   1.154  -5.803  -2.702
  315   1HD1  ILE  40          1HD1      ILE  40   4.725  -4.283  -3.774
  316   2HD1  ILE  40          2HD1      ILE  40   4.177  -5.384  -2.482
  317   3HD1  ILE  40          3HD1      ILE  40   5.344  -5.943  -3.687
  318    H    TYR  41           H        TYR  41  -1.530  -5.422  -4.978
  319    HA   TYR  41           HA       TYR  41  -2.015  -2.647  -5.958
  320   1HB   TYR  41          HB2       TYR  41  -2.528  -5.147  -7.389
  321   2HB   TYR  41          HB3       TYR  41  -4.047  -4.407  -6.969
  322    HD1  TYR  41           HD1      TYR  41  -4.193  -1.773  -7.428
  323    HD2  TYR  41           HD2      TYR  41  -1.444  -4.452  -9.379
  324    HE1  TYR  41           HE1      TYR  41  -4.113  -0.251  -9.385
  325    HE2  TYR  41           HE2      TYR  41  -1.366  -2.942 -11.344
  326    HH   TYR  41           HH       TYR  41  -3.099   0.204 -11.392
  327    H    GLU  42           H        GLU  42  -3.994  -1.748  -5.186
  328    HA   GLU  42           HA       GLU  42  -5.618  -3.503  -3.430
  329   1HB   GLU  42          HB2       GLU  42  -4.124  -1.856  -2.165
  330   2HB   GLU  42          HB3       GLU  42  -5.052  -0.549  -2.882
  331   1HG   GLU  42          HG2       GLU  42  -7.080  -1.296  -1.744
  332   2HG   GLU  42          HG3       GLU  42  -6.307  -2.813  -1.285
  333    H    VAL  43           H        VAL  43  -5.883  -3.167  -6.261
  334    HA   VAL  43           HA       VAL  43  -8.623  -2.503  -6.199
  335    HB   VAL  43           HB       VAL  43  -8.014  -0.208  -6.501
  336   1HG1  VAL  43          1HG1      VAL  43  -6.869   0.712  -8.442
  337   2HG1  VAL  43          2HG1      VAL  43  -5.807  -0.292  -7.466
  338   3HG1  VAL  43          3HG1      VAL  43  -6.460  -0.922  -8.995
  339   1HG2  VAL  43          1HG2      VAL  43  -9.273   0.383  -8.433
  340   2HG2  VAL  43          2HG2      VAL  43  -9.003  -1.200  -9.183
  341   3HG2  VAL  43          3HG2      VAL  43  -9.994  -1.073  -7.715
  342    H    TRP  44           H        TRP  44  -5.831  -3.118  -8.454
  343    HA   TRP  44           HA       TRP  44  -7.432  -4.144 -10.514
  344   1HB   TRP  44          HB2       TRP  44  -5.032  -3.463 -10.681
  345   2HB   TRP  44          HB3       TRP  44  -4.582  -4.927  -9.810
  346    HD1  TRP  44           HD1      TRP  44  -7.070  -4.749 -12.775
  347    HE1  TRP  44           HE1      TRP  44  -6.159  -6.095 -14.733
  348    HE3  TRP  44           HE3      TRP  44  -2.455  -5.913 -10.888
  349    HZ2  TRP  44           HZ2      TRP  44  -3.819  -7.687 -15.327
  350    HZ3  TRP  44           HZ3      TRP  44  -0.888  -7.324 -12.190
  351    HH2  TRP  44           HH2      TRP  44  -1.564  -8.239 -14.399
  352    H    ASP  45           H        ASP  45  -8.145  -6.193 -11.056
  353    HA   ASP  45           HA       ASP  45  -7.838  -8.418  -9.111
  354   1HB   ASP  45          HB2       ASP  45  -9.869  -7.215  -8.464
  355   2HB   ASP  45          HB3       ASP  45 -10.471  -7.279 -10.123
  356    H    ARG  46           H        ARG  46  -6.345  -8.396 -11.111
  357    HA   ARG  46           HA       ARG  46  -5.587  -9.046 -13.051
  358   1HB   ARG  46          HB2       ARG  46  -5.962 -11.244 -13.808
  359   2HB   ARG  46          HB3       ARG  46  -5.833 -11.214 -12.054
  360   1HG   ARG  46          HG2       ARG  46  -8.252 -11.596 -11.849
  361   2HG   ARG  46          HG3       ARG  46  -8.450 -11.430 -13.605
  362   1HD   ARG  46          HD2       ARG  46  -8.489 -13.762 -13.073
  363   2HD   ARG  46          HD3       ARG  46  -6.981 -13.444 -13.919
  364    HE   ARG  46           HE       ARG  46  -7.391 -14.089 -11.049
  365   1HH1  ARG  46          1HH2      ARG  46  -5.012 -13.401 -13.606
  366   2HH1  ARG  46          2HH2      ARG  46  -3.663 -13.972 -12.699
  367   1HH2  ARG  46          1HH1      ARG  46  -5.608 -14.897  -9.865
  368   2HH2  ARG  46          2HH1      ARG  46  -4.028 -14.905 -10.547
  369    H    LYS  47           H        LYS  47  -8.589  -7.729 -13.142
  370    HA   LYS  47           HA       LYS  47  -8.209  -7.123 -15.977
  371   1HB   LYS  47          HB2       LYS  47 -10.891  -7.934 -14.743
  372   2HB   LYS  47          HB3       LYS  47 -10.690  -7.125 -16.299
  373   1HG   LYS  47          HG2       LYS  47  -9.364  -9.071 -17.136
  374   2HG   LYS  47          HG3       LYS  47  -9.653  -9.907 -15.595
  375   1HD   LYS  47          HD2       LYS  47 -12.099  -9.804 -15.993
  376   2HD   LYS  47          HD3       LYS  47 -11.809  -8.988 -17.547
  377   1HE   LYS  47          HE2       LYS  47 -10.500 -10.952 -18.328
  378   2HE   LYS  47          HE3       LYS  47 -10.785 -11.762 -16.783
  379   1HZ   LYS  47          HZ1       LYS  47 -12.894 -11.008 -18.723
  380   2HZ   LYS  47          HZ2       LYS  47 -12.330 -12.514 -18.471
  381   3HZ   LYS  47          HZ3       LYS  47 -13.158 -11.756 -17.293
  Start of MODEL    8
    1   1H    ALA   1          H1        ALA   1  -6.483  -7.105   2.366
    2   2H    ALA   1          H2        ALA   1  -5.174  -6.333   2.973
    3   3H    ALA   1          H3        ALA   1  -6.639  -6.154   3.688
    4    HA   ALA   1           HA       ALA   1  -7.543  -5.058   1.798
    5   1HB   ALA   1          HB1       ALA   1  -6.571  -3.604   3.498
    6   2HB   ALA   1          HB2       ALA   1  -4.965  -3.735   2.749
    7   3HB   ALA   1          HB3       ALA   1  -6.296  -2.940   1.882
    8    H    ILE   2           H        ILE   2  -3.954  -4.908   1.155
    9    HA   ILE   2           HA       ILE   2  -4.299  -4.777  -1.652
   10    HB   ILE   2           HB       ILE   2  -1.888  -5.499  -1.751
   11   1HG1  ILE   2          2HG1      ILE   2  -1.946  -5.363   1.294
   12   2HG1  ILE   2          3HG1      ILE   2  -1.948  -6.878   0.386
   13   1HG2  ILE   2          1HG2      ILE   2  -1.055  -3.375  -0.847
   14   2HG2  ILE   2          2HG2      ILE   2  -2.586  -3.163  -1.682
   15   3HG2  ILE   2          3HG2      ILE   2  -2.549  -3.167   0.096
   16   1HD1  ILE   2          1HD1      ILE   2   0.264  -4.786   0.309
   17   2HD1  ILE   2          2HD1      ILE   2   0.303  -6.356   1.122
   18   3HD1  ILE   2          3HD1      ILE   2   0.216  -6.290  -0.646
   19    H    LYS   3           H        LYS   3  -3.777  -6.249  -3.258
   20    HA   LYS   3           HA       LYS   3  -3.994  -9.160  -2.684
   21   1HB   LYS   3          HB2       LYS   3  -4.989  -7.523  -5.076
   22   2HB   LYS   3          HB3       LYS   3  -4.824  -9.281  -5.092
   23   1HG   LYS   3          HG2       LYS   3  -6.464  -9.524  -3.304
   24   2HG   LYS   3          HG3       LYS   3  -6.618  -7.763  -3.149
   25   1HD   LYS   3          HD2       LYS   3  -7.536  -7.576  -5.395
   26   2HD   LYS   3          HD3       LYS   3  -7.257  -9.304  -5.706
   27   1HE   LYS   3          HE2       LYS   3  -8.838  -9.936  -3.959
   28   2HE   LYS   3          HE3       LYS   3  -9.053  -8.249  -3.477
   29   1HZ   LYS   3          HZ1       LYS   3  -9.814  -9.322  -6.146
   30   2HZ   LYS   3          HZ2       LYS   3 -10.848  -9.084  -4.899
   31   3HZ   LYS   3          HZ3       LYS   3 -10.099  -7.807  -5.580
   32    H    LEU   4           H        LEU   4  -2.642 -10.373  -4.205
   33    HA   LEU   4           HA       LEU   4  -0.393  -8.838  -5.435
   34   1HB   LEU   4          HB2       LEU   4  -0.344 -11.659  -4.268
   35   2HB   LEU   4          HB3       LEU   4   0.972 -10.876  -5.142
   36    HG   LEU   4           HG       LEU   4  -0.148 -10.017  -2.435
   37   1HD1  LEU   4          1HD1      LEU   4   2.025 -10.749  -1.564
   38   2HD1  LEU   4          2HD1      LEU   4   1.192 -12.087  -2.370
   39   3HD1  LEU   4          3HD1      LEU   4   2.531 -11.255  -3.193
   40   1HD2  LEU   4          1HD2      LEU   4   0.620  -8.023  -3.592
   41   2HD2  LEU   4          2HD2      LEU   4   1.818  -8.460  -2.376
   42   3HD2  LEU   4          3HD2      LEU   4   2.122  -8.838  -4.090
   43    H    VAL   5           H        VAL   5  -0.338  -9.128  -7.623
   44    HA   VAL   5           HA       VAL   5  -2.330 -11.027  -8.780
   45    HB   VAL   5           HB       VAL   5  -2.125  -8.077  -9.488
   46   1HG1  VAL   5          1HG1      VAL   5  -4.396  -8.441 -10.406
   47   2HG1  VAL   5          2HG1      VAL   5  -3.233  -9.515 -11.172
   48   3HG1  VAL   5          3HG1      VAL   5  -4.331 -10.151  -9.922
   49   1HG2  VAL   5          1HG2      VAL   5  -4.209  -7.666  -8.205
   50   2HG2  VAL   5          2HG2      VAL   5  -4.076  -9.287  -7.490
   51   3HG2  VAL   5          3HG2      VAL   5  -2.848  -8.036  -7.162
   52    H    GLN   6           H        GLN   6  -1.921 -11.601 -10.954
   53    HA   GLN   6           HA       GLN   6   0.092 -10.207 -12.465
   54   1HB   GLN   6          HB2       GLN   6   1.273 -12.327 -13.127
   55   2HB   GLN   6          HB3       GLN   6   1.616 -11.784 -11.487
   56   1HG   GLN   6          HG2       GLN   6   0.369 -13.528 -10.490
   57   2HG   GLN   6          HG3       GLN   6  -0.502 -13.897 -11.981
   58   1HE2  GLN   6          2HE2      GLN   6   2.947 -13.815 -10.787
   59   2HE2  GLN   6          1HE2      GLN   6   3.441 -15.172 -11.779
   60    H    SER   7           H        SER   7  -0.239 -10.503 -14.679
   61    HA   SER   7           HA       SER   7  -1.546 -12.535 -16.007
   62   1HB   SER   7          HB2       SER   7  -3.434 -10.294 -15.193
   63   2HB   SER   7          HB3       SER   7  -3.643 -11.117 -16.749
   64    HG   SER   7           HG       SER   7  -3.409 -12.422 -14.262
   65    HA   PRO   8           HA       PRO   8   0.529 -10.228 -19.073
   66   1HB   PRO   8          HB2       PRO   8  -0.658 -10.923 -21.460
   67   2HB   PRO   8          HB3       PRO   8   0.360 -12.024 -20.485
   68   1HG   PRO   8          HG2       PRO   8  -2.665 -11.829 -20.520
   69   2HG   PRO   8          HG3       PRO   8  -1.649 -13.301 -20.631
   70   1HD   PRO   8          HD2       PRO   8  -2.749 -12.523 -18.279
   71   2HD   PRO   8          HD3       PRO   8  -1.097 -13.204 -18.332
   72    H    ASN   9           H        ASN   9  -2.965  -9.664 -18.911
   73    HA   ASN   9           HA       ASN   9  -3.037  -7.506 -20.766
   74   1HB   ASN   9          HB2       ASN   9  -5.228  -6.987 -19.888
   75   2HB   ASN   9          HB3       ASN   9  -5.061  -8.718 -20.116
   76   1HD2  ASN   9          2HD2      ASN   9  -5.629 -10.016 -18.348
   77   2HD2  ASN   9          1HD2      ASN   9  -5.879  -9.400 -16.731
   78    H    GLY  10           H        GLY  10  -2.091  -7.549 -17.355
   79   1HA   GLY  10          HA2       GLY  10  -1.525  -5.902 -15.877
   80   2HA   GLY  10          HA3       GLY  10  -0.729  -5.176 -17.279
   81    H    ASN  11           H        ASN  11  -4.249  -5.520 -16.648
   82    HA   ASN  11           HA       ASN  11  -4.908  -2.970 -17.630
   83   1HB   ASN  11          HB2       ASN  11  -6.448  -4.882 -17.515
   84   2HB   ASN  11          HB3       ASN  11  -6.481  -4.774 -15.755
   85   1HD2  ASN  11          1HD2      ASN  11  -7.218  -2.511 -14.887
   86   2HD2  ASN  11          2HD2      ASN  11  -8.572  -1.787 -15.742
   87    H    PHE  12           H        PHE  12  -3.609  -1.363 -16.648
   88    HA   PHE  12           HA       PHE  12  -3.499  -0.824 -13.877
   89   1HB   PHE  12          HB2       PHE  12  -1.911   0.128 -15.432
   90   2HB   PHE  12          HB3       PHE  12  -3.181   0.964 -16.312
   91    HD1  PHE  12           HD1      PHE  12  -1.388   0.849 -13.017
   92    HD2  PHE  12           HD2      PHE  12  -3.909   3.149 -15.657
   93    HE1  PHE  12           HE1      PHE  12  -1.076   2.842 -11.579
   94    HE2  PHE  12           HE2      PHE  12  -3.575   5.145 -14.227
   95    HZ   PHE  12           HZ       PHE  12  -2.169   4.997 -12.178
   96    H    ALA  13           H        ALA  13  -5.252  -0.496 -12.621
   97    HA   ALA  13           HA       ALA  13  -7.718   0.627 -13.773
   98   1HB   ALA  13          HB1       ALA  13  -8.756  -0.235 -11.726
   99   2HB   ALA  13          HB2       ALA  13  -7.767  -1.489 -12.501
  100   3HB   ALA  13          HB3       ALA  13  -7.159  -0.636 -11.063
  101    H    ALA  14           H        ALA  14  -5.100   1.884 -12.018
  102    HA   ALA  14           HA       ALA  14  -4.608   3.578 -10.704
  103   1HB   ALA  14          HB1       ALA  14  -7.075   4.954 -11.815
  104   2HB   ALA  14          HB2       ALA  14  -5.699   5.717 -11.000
  105   3HB   ALA  14          HB3       ALA  14  -5.467   4.923 -12.568
  106    H    SER  15           H        SER  15  -8.228   3.454 -10.326
  107    HA   SER  15           HA       SER  15  -8.056   2.686  -7.572
  108   1HB   SER  15          HB2       SER  15  -9.126   4.863  -6.723
  109   2HB   SER  15          HB3       SER  15  -7.397   4.908  -7.067
  110    HG   SER  15           HG       SER  15  -8.479   6.728  -7.919
  111    H    PHE  16           H        PHE  16 -10.250   2.680  -6.543
  112    HA   PHE  16           HA       PHE  16 -12.604   2.912  -8.211
  113   1HB   PHE  16          HB2       PHE  16 -11.539   0.705  -8.924
  114   2HB   PHE  16          HB3       PHE  16 -11.713   0.153  -7.266
  115    HD1  PHE  16           HD1      PHE  16 -13.456  -1.389  -7.002
  116    HD2  PHE  16           HD2      PHE  16 -13.906   1.803  -9.879
  117    HE1  PHE  16           HE1      PHE  16 -15.680  -2.274  -7.648
  118    HE2  PHE  16           HE2      PHE  16 -16.141   0.924 -10.496
  119    HZ   PHE  16           HZ       PHE  16 -17.031  -1.117  -9.385
  120    H    VAL  17           H        VAL  17 -14.510   1.819  -6.759
  121    HA   VAL  17           HA       VAL  17 -13.924   1.857  -3.909
  122    HB   VAL  17           HB       VAL  17 -14.384   4.205  -4.360
  123   1HG1  VAL  17          1HG1      VAL  17 -17.136   3.391  -5.374
  124   2HG1  VAL  17          2HG1      VAL  17 -16.541   5.042  -5.112
  125   3HG1  VAL  17          3HG1      VAL  17 -15.814   4.039  -6.371
  126   1HG2  VAL  17          1HG2      VAL  17 -16.174   4.575  -2.729
  127   2HG2  VAL  17          2HG2      VAL  17 -16.661   2.873  -2.848
  128   3HG2  VAL  17          3HG2      VAL  17 -15.062   3.311  -2.204
  129    H    LEU  18           H        LEU  18 -15.227   0.368  -2.866
  130    HA   LEU  18           HA       LEU  18 -17.494  -0.901  -4.250
  131   1HB   LEU  18          HB2       LEU  18 -15.557  -2.065  -5.228
  132   2HB   LEU  18          HB3       LEU  18 -14.850  -2.286  -3.638
  133    HG   LEU  18           HG       LEU  18 -16.747  -3.785  -2.995
  134   1HD1  LEU  18          1HD1      LEU  18 -18.177  -4.714  -4.797
  135   2HD1  LEU  18          2HD1      LEU  18 -18.488  -2.993  -4.563
  136   3HD1  LEU  18          3HD1      LEU  18 -17.508  -3.532  -5.943
  137   1HD2  LEU  18          1HD2      LEU  18 -15.197  -4.592  -5.489
  138   2HD2  LEU  18          2HD2      LEU  18 -14.611  -4.679  -3.815
  139   3HD2  LEU  18          3HD2      LEU  18 -15.966  -5.696  -4.325
  140    H    ASP  19           H        ASP  19 -18.916  -1.471  -2.713
  141    HA   ASP  19           HA       ASP  19 -19.928  -1.564  -0.719
  142   1HB   ASP  19          HB2       ASP  19 -19.167  -3.852  -1.160
  143   2HB   ASP  19          HB3       ASP  19 -17.710  -3.563  -0.206
  144    H    GLY  20           H        GLY  20 -18.637   0.746  -0.679
  145   1HA   GLY  20          HA2       GLY  20 -18.200   2.427   0.793
  146   2HA   GLY  20          HA3       GLY  20 -18.500   1.294   2.117
  147    H    THR  21           H        THR  21 -15.975   0.375  -0.127
  148    HA   THR  21           HA       THR  21 -13.836   1.399   1.685
  149    HB   THR  21           HB       THR  21 -13.981  -1.278   0.223
  150    HG1  THR  21           HG1      THR  21 -15.441  -1.211   1.924
  151   1HG2  THR  21          1HG2      THR  21 -11.999  -0.234   2.293
  152   2HG2  THR  21          2HG2      THR  21 -12.065  -1.901   1.672
  153   3HG2  THR  21          3HG2      THR  21 -11.668  -0.574   0.579
  154    H    LYS  22           H        LYS  22 -12.133   2.382   0.576
  155    HA   LYS  22           HA       LYS  22 -12.464   2.750  -2.349
  156   1HB   LYS  22          HB2       LYS  22 -12.139   4.714  -0.813
  157   2HB   LYS  22          HB3       LYS  22 -10.519   4.107  -0.431
  158   1HG   LYS  22          HG2       LYS  22  -9.836   4.363  -2.776
  159   2HG   LYS  22          HG3       LYS  22 -11.496   4.781  -3.246
  160   1HD   LYS  22          HD2       LYS  22 -11.373   6.825  -1.854
  161   2HD   LYS  22          HD3       LYS  22  -9.711   6.402  -1.377
  162   1HE   LYS  22          HE2       LYS  22  -9.003   6.490  -3.753
  163   2HE   LYS  22          HE3       LYS  22 -10.659   6.869  -4.245
  164   1HZ   LYS  22          HZ1       LYS  22 -10.492   8.941  -2.994
  165   2HZ   LYS  22          HZ2       LYS  22  -8.962   8.594  -2.531
  166   3HZ   LYS  22          HZ3       LYS  22  -9.302   8.860  -4.103
  167    H    TRP  23           H        TRP  23 -10.673   2.356  -3.764
  168    HA   TRP  23           HA       TRP  23  -8.689   0.322  -2.888
  169   1HB   TRP  23          HB2       TRP  23 -10.739   0.204  -5.149
  170   2HB   TRP  23          HB3       TRP  23  -9.454  -0.947  -4.959
  171    HD1  TRP  23           HD1      TRP  23 -12.729   0.090  -3.393
  172    HE1  TRP  23           HE1      TRP  23 -13.628  -1.702  -1.834
  173    HE3  TRP  23           HE3      TRP  23  -8.806  -3.187  -3.625
  174    HZ2  TRP  23           HZ2      TRP  23 -12.741  -4.269  -0.789
  175    HZ3  TRP  23           HZ3      TRP  23  -8.859  -5.297  -2.348
  176    HH2  TRP  23           HH2      TRP  23 -10.821  -5.854  -0.925
  177    H    ILE  24           H        ILE  24  -6.710   0.498  -4.177
  178    HA   ILE  24           HA       ILE  24  -6.480   2.653  -6.135
  179    HB   ILE  24           HB       ILE  24  -6.678   3.827  -3.988
  180   1HG1  ILE  24          2HG1      ILE  24  -3.858   4.173  -5.054
  181   2HG1  ILE  24          3HG1      ILE  24  -5.307   4.701  -5.919
  182   1HG2  ILE  24          1HG2      ILE  24  -5.686   2.118  -2.487
  183   2HG2  ILE  24          2HG2      ILE  24  -4.081   2.469  -3.157
  184   3HG2  ILE  24          3HG2      ILE  24  -4.970   3.705  -2.247
  185   1HD1  ILE  24          1HD1      ILE  24  -5.917   6.148  -3.978
  186   2HD1  ILE  24          2HD1      ILE  24  -4.385   5.694  -3.192
  187   3HD1  ILE  24          3HD1      ILE  24  -4.366   6.576  -4.725
  188    H    PHE  25           H        PHE  25  -4.341   2.857  -7.050
  189    HA   PHE  25           HA       PHE  25  -2.820   0.520  -7.474
  190   1HB   PHE  25          HB2       PHE  25  -2.863   2.419  -9.000
  191   2HB   PHE  25          HB3       PHE  25  -2.223   3.489  -7.762
  192    HD1  PHE  25           HD1      PHE  25   0.050   4.062  -7.921
  193    HD2  PHE  25           HD2      PHE  25  -1.264   0.262  -9.474
  194    HE1  PHE  25           HE1      PHE  25   2.342   3.593  -8.740
  195    HE2  PHE  25           HE2      PHE  25   1.014  -0.209 -10.276
  196    HZ   PHE  25           HZ       PHE  25   2.835   1.466  -9.930
  197    H    LYS  26           H        LYS  26  -0.605   0.022  -6.876
  198    HA   LYS  26           HA       LYS  26   0.572   1.529  -4.671
  199   1HB   LYS  26          HB2       LYS  26  -0.775  -0.363  -3.650
  200   2HB   LYS  26          HB3       LYS  26   0.355  -1.486  -4.367
  201   1HG   LYS  26          HG2       LYS  26   1.069   0.703  -2.381
  202   2HG   LYS  26          HG3       LYS  26   0.758  -0.989  -1.985
  203   1HD   LYS  26          HD2       LYS  26   2.675  -1.600  -3.561
  204   2HD   LYS  26          HD3       LYS  26   3.100   0.117  -3.574
  205   1HE   LYS  26          HE2       LYS  26   2.915  -1.647  -1.092
  206   2HE   LYS  26          HE3       LYS  26   4.406  -1.245  -1.945
  207   1HZ   LYS  26          HZ1       LYS  26   2.652   0.714  -0.579
  208   2HZ   LYS  26          HZ2       LYS  26   4.101   0.192  -0.057
  209   3HZ   LYS  26          HZ3       LYS  26   4.013   1.092  -1.408
  210    H    SER  27           H        SER  27   1.254  -1.563  -6.572
  211    HA   SER  27           HA       SER  27   3.487  -0.158  -7.911
  212   1HB   SER  27          HB2       SER  27   3.866  -2.724  -6.299
  213   2HB   SER  27          HB3       SER  27   5.085  -1.923  -7.298
  214    HG   SER  27           HG       SER  27   5.393  -1.384  -5.148
  215    H    LYS  28           H        LYS  28   4.139  -1.210  -9.884
  216    HA   LYS  28           HA       LYS  28   3.163  -3.887 -10.446
  217   1HB   LYS  28          HB2       LYS  28   2.118  -3.408 -12.561
  218   2HB   LYS  28          HB3       LYS  28   1.284  -2.521 -11.292
  219   1HG   LYS  28          HG2       LYS  28   2.542  -0.442 -11.972
  220   2HG   LYS  28          HG3       LYS  28   3.302  -1.363 -13.275
  221   1HD   LYS  28          HD2       LYS  28   1.097  -1.802 -14.298
  222   2HD   LYS  28          HD3       LYS  28   0.298  -0.991 -12.949
  223   1HE   LYS  28          HE2       LYS  28   0.348   0.540 -14.797
  224   2HE   LYS  28          HE3       LYS  28   1.430   1.145 -13.544
  225   1HZ   LYS  28          HZ1       LYS  28   2.380   1.302 -15.774
  226   2HZ   LYS  28          HZ2       LYS  28   3.301   0.334 -14.848
  227   3HZ   LYS  28          HZ3       LYS  28   2.301  -0.312 -15.981
  228    H    TYR  29           H        TYR  29   4.349  -4.876 -12.220
  229    HA   TYR  29           HA       TYR  29   6.329  -3.342 -13.672
  230   1HB   TYR  29          HB2       TYR  29   8.275  -4.549 -12.993
  231   2HB   TYR  29          HB3       TYR  29   7.570  -3.842 -11.562
  232    HD1  TYR  29           HD1      TYR  29   8.717  -6.883 -13.136
  233    HD2  TYR  29           HD2      TYR  29   6.205  -5.365  -9.970
  234    HE1  TYR  29           HE1      TYR  29   8.832  -9.076 -11.997
  235    HE2  TYR  29           HE2      TYR  29   6.309  -7.557  -8.828
  236    HH   TYR  29           HH       TYR  29   7.185  -9.724  -8.871
  237    H    TYR  30           H        TYR  30   7.328  -4.762 -15.382
  238    HA   TYR  30           HA       TYR  30   5.490  -6.967 -16.165
  239   1HB   TYR  30          HB2       TYR  30   5.956  -5.121 -17.783
  240   2HB   TYR  30          HB3       TYR  30   7.656  -5.575 -17.775
  241    HD1  TYR  30           HD1      TYR  30   8.427  -7.488 -19.078
  242    HD2  TYR  30           HD2      TYR  30   4.211  -6.727 -18.598
  243    HE1  TYR  30           HE1      TYR  30   7.933  -9.088 -20.903
  244    HE2  TYR  30           HE2      TYR  30   3.700  -8.316 -20.422
  245    HH   TYR  30           HH       TYR  30   4.586  -9.737 -22.051
  246    H    ASP  31           H        ASP  31   6.164  -9.015 -15.729
  247    HA   ASP  31           HA       ASP  31   8.941  -9.419 -14.780
  248   1HB   ASP  31          HB2       ASP  31   7.211 -10.304 -13.333
  249   2HB   ASP  31          HB3       ASP  31   6.534 -11.257 -14.663
  250    H    SER  32           H        SER  32   9.915  -9.148 -16.846
  251    HA   SER  32           HA       SER  32   9.378 -10.545 -19.165
  252   1HB   SER  32          HB2       SER  32  12.143  -9.866 -18.102
  253   2HB   SER  32          HB3       SER  32  11.631  -9.975 -19.796
  254    HG   SER  32           HG       SER  32  11.723  -7.809 -19.052
  255    H    SER  33           H        SER  33  10.504 -11.992 -16.174
  256    HA   SER  33           HA       SER  33  11.920 -14.220 -17.268
  257   1HB   SER  33          HB2       SER  33  10.303 -14.416 -14.736
  258   2HB   SER  33          HB3       SER  33  11.897 -15.081 -15.108
  259    HG   SER  33           HG       SER  33  11.068 -12.518 -14.351
  260    H    LYS  34           H        LYS  34   8.485 -13.461 -17.134
  261    HA   LYS  34           HA       LYS  34   7.893 -16.086 -18.398
  262   1HB   LYS  34          HB2       LYS  34   6.463 -14.876 -15.995
  263   2HB   LYS  34          HB3       LYS  34   5.740 -16.133 -16.995
  264   1HG   LYS  34          HG2       LYS  34   8.389 -16.487 -15.543
  265   2HG   LYS  34          HG3       LYS  34   6.838 -16.940 -14.870
  266   1HD   LYS  34          HD2       LYS  34   6.464 -18.672 -16.369
  267   2HD   LYS  34          HD3       LYS  34   7.579 -18.069 -17.589
  268   1HE   LYS  34          HE2       LYS  34   8.578 -18.933 -14.858
  269   2HE   LYS  34          HE3       LYS  34   8.270 -20.125 -16.125
  270   1HZ   LYS  34          HZ1       LYS  34  10.051 -17.808 -16.595
  271   2HZ   LYS  34          HZ2       LYS  34  10.596 -19.254 -16.029
  272   3HZ   LYS  34          HZ3       LYS  34   9.896 -19.154 -17.496
  273    H    GLY  35           H        GLY  35   7.401 -12.649 -18.350
  274   1HA   GLY  35          HA2       GLY  35   6.706 -11.468 -20.179
  275   2HA   GLY  35          HA3       GLY  35   6.118 -12.944 -20.952
  276    H    TYR  36           H        TYR  36   5.283 -11.399 -17.774
  277    HA   TYR  36           HA       TYR  36   2.706 -10.549 -18.811
  278   1HB   TYR  36          HB2       TYR  36   1.497 -11.585 -16.820
  279   2HB   TYR  36          HB3       TYR  36   1.890 -12.623 -18.168
  280    HD1  TYR  36           HD1      TYR  36   3.659 -11.566 -14.966
  281    HD2  TYR  36           HD2      TYR  36   2.354 -14.796 -17.513
  282    HE1  TYR  36           HE1      TYR  36   4.617 -13.196 -13.382
  283    HE2  TYR  36           HE2      TYR  36   3.248 -16.434 -15.897
  284    HH   TYR  36           HH       TYR  36   4.351 -16.745 -13.856
  285    H    TRP  37           H        TRP  37   1.550  -9.170 -17.109
  286    HA   TRP  37           HA       TRP  37   3.527  -7.535 -15.661
  287   1HB   TRP  37          HB2       TRP  37   0.535  -7.317 -16.107
  288   2HB   TRP  37          HB3       TRP  37   1.406  -6.307 -14.969
  289    HD1  TRP  37           HD1      TRP  37   1.000  -6.838 -18.725
  290    HE1  TRP  37           HE1      TRP  37   1.984  -4.856 -19.991
  291    HE3  TRP  37           HE3      TRP  37   3.158  -4.387 -14.790
  292    HZ2  TRP  37           HZ2      TRP  37   3.635  -2.536 -19.387
  293    HZ3  TRP  37           HZ3      TRP  37   4.493  -2.329 -15.170
  294    HH2  TRP  37           HH2      TRP  37   4.740  -1.399 -17.465
  295    H    VAL  38           H        VAL  38   3.432  -7.251 -13.431
  296    HA   VAL  38           HA       VAL  38   1.895  -9.128 -11.761
  297    HB   VAL  38           HB       VAL  38   4.884  -8.581 -11.468
  298   1HG1  VAL  38          1HG1      VAL  38   3.832  -9.073  -9.313
  299   2HG1  VAL  38          2HG1      VAL  38   3.027 -10.503  -9.992
  300   3HG1  VAL  38          3HG1      VAL  38   4.792 -10.459  -9.812
  301   1HG2  VAL  38          1HG2      VAL  38   4.677 -10.018 -13.399
  302   2HG2  VAL  38          2HG2      VAL  38   5.238 -10.987 -12.040
  303   3HG2  VAL  38          3HG2      VAL  38   3.539 -11.082 -12.546
  304    H    GLY  39           H        GLY  39   1.535  -8.104  -9.602
  305   1HA   GLY  39          HA2       GLY  39   2.857  -5.600  -9.022
  306   2HA   GLY  39          HA3       GLY  39   1.175  -5.360  -9.506
  307    H    ILE  40           H        ILE  40   1.956  -4.521  -7.179
  308    HA   ILE  40           HA       ILE  40   0.672  -6.268  -5.139
  309    HB   ILE  40           HB       ILE  40   2.499  -3.845  -4.709
  310   1HG1  ILE  40          2HG1      ILE  40   3.181  -6.762  -4.161
  311   2HG1  ILE  40          3HG1      ILE  40   3.836  -5.797  -5.480
  312   1HG2  ILE  40          1HG2      ILE  40   0.686  -4.165  -3.013
  313   2HG2  ILE  40          2HG2      ILE  40   1.317  -5.791  -2.683
  314   3HG2  ILE  40          3HG2      ILE  40   2.288  -4.349  -2.319
  315   1HD1  ILE  40          1HD1      ILE  40   4.316  -5.335  -2.518
  316   2HD1  ILE  40          2HD1      ILE  40   5.475  -5.858  -3.747
  317   3HD1  ILE  40          3HD1      ILE  40   4.817  -4.211  -3.807
  318    H    TYR  41           H        TYR  41  -1.463  -5.479  -4.954
  319    HA   TYR  41           HA       TYR  41  -1.964  -2.718  -5.973
  320   1HB   TYR  41          HB2       TYR  41  -2.261  -5.183  -7.447
  321   2HB   TYR  41          HB3       TYR  41  -3.867  -4.634  -7.045
  322    HD1  TYR  41           HD1      TYR  41  -4.061  -1.864  -7.320
  323    HD2  TYR  41           HD2      TYR  41  -1.448  -4.483  -9.529
  324    HE1  TYR  41           HE1      TYR  41  -4.129  -0.303  -9.246
  325    HE2  TYR  41           HE2      TYR  41  -1.529  -2.934 -11.466
  326    HH   TYR  41           HH       TYR  41  -3.305   0.185 -11.318
  327    H    GLU  42           H        GLU  42  -3.680  -1.706  -4.974
  328    HA   GLU  42           HA       GLU  42  -5.365  -3.383  -3.187
  329   1HB   GLU  42          HB2       GLU  42  -3.824  -1.396  -2.314
  330   2HB   GLU  42          HB3       GLU  42  -5.123  -0.382  -2.918
  331   1HG   GLU  42          HG2       GLU  42  -6.747  -1.681  -1.510
  332   2HG   GLU  42          HG3       GLU  42  -5.401  -2.638  -0.896
  333    H    VAL  43           H        VAL  43  -5.678  -3.181  -6.125
  334    HA   VAL  43           HA       VAL  43  -8.471  -2.662  -6.028
  335    HB   VAL  43           HB       VAL  43  -7.907  -0.361  -6.415
  336   1HG1  VAL  43          1HG1      VAL  43  -5.740  -0.451  -7.442
  337   2HG1  VAL  43          2HG1      VAL  43  -6.430  -1.143  -8.930
  338   3HG1  VAL  43          3HG1      VAL  43  -6.843   0.507  -8.421
  339   1HG2  VAL  43          1HG2      VAL  43  -8.982  -1.462  -9.020
  340   2HG2  VAL  43          2HG2      VAL  43  -9.919  -1.299  -7.522
  341   3HG2  VAL  43          3HG2      VAL  43  -9.250   0.141  -8.316
  342    H    TRP  44           H        TRP  44  -5.694  -3.328  -8.304
  343    HA   TRP  44           HA       TRP  44  -7.344  -4.371 -10.309
  344   1HB   TRP  44          HB2       TRP  44  -4.953  -3.721 -10.571
  345   2HB   TRP  44          HB3       TRP  44  -4.484  -5.171  -9.686
  346    HD1  TRP  44           HD1      TRP  44  -7.077  -5.115 -12.570
  347    HE1  TRP  44           HE1      TRP  44  -6.219  -6.552 -14.494
  348    HE3  TRP  44           HE3      TRP  44  -2.360  -6.092 -10.833
  349    HZ2  TRP  44           HZ2      TRP  44  -3.802  -7.941 -15.214
  350    HZ3  TRP  44           HZ3      TRP  44  -0.773  -7.419 -12.197
  351    HH2  TRP  44           HH2      TRP  44  -1.480  -8.344 -14.396
  352    H    ASP  45           H        ASP  45  -7.943  -6.453 -10.908
  353    HA   ASP  45           HA       ASP  45  -7.819  -8.622  -8.886
  354   1HB   ASP  45          HB2       ASP  45  -9.851  -7.213  -8.513
  355   2HB   ASP  45          HB3       ASP  45 -10.366  -7.541 -10.167
  356    H    ARG  46           H        ARG  46  -6.247  -8.536 -10.962
  357    HA   ARG  46           HA       ARG  46  -5.418  -9.329 -12.794
  358   1HB   ARG  46          HB2       ARG  46  -5.471 -11.551 -13.231
  359   2HB   ARG  46          HB3       ARG  46  -5.809 -11.431 -11.528
  360   1HG   ARG  46          HG2       ARG  46  -7.615 -12.709 -11.773
  361   2HG   ARG  46          HG3       ARG  46  -8.369 -11.548 -12.857
  362   1HD   ARG  46          HD2       ARG  46  -6.345 -13.605 -13.813
  363   2HD   ARG  46          HD3       ARG  46  -8.084 -13.926 -13.727
  364    HE   ARG  46           HE       ARG  46  -8.236 -11.734 -15.154
  365   1HH1  ARG  46          1HH1      ARG  46  -5.966 -14.428 -15.625
  366   2HH1  ARG  46          2HH1      ARG  46  -5.874 -14.226 -17.334
  367   1HH2  ARG  46          1HH2      ARG  46  -7.946 -11.309 -17.328
  368   2HH2  ARG  46          2HH2      ARG  46  -7.095 -12.441 -18.349
  369    H    LYS  47           H        LYS  47  -8.722  -8.594 -13.107
  370    HA   LYS  47           HA       LYS  47 -10.072  -8.120 -14.826
  371   1HB   LYS  47          HB2       LYS  47  -8.351  -6.355 -15.238
  372   2HB   LYS  47          HB3       LYS  47  -7.537  -7.443 -16.357
  373   1HG   LYS  47          HG2       LYS  47  -8.805  -5.823 -17.582
  374   2HG   LYS  47          HG3       LYS  47  -9.527  -7.398 -17.849
  375   1HD   LYS  47          HD2       LYS  47 -11.351  -6.906 -16.325
  376   2HD   LYS  47          HD3       LYS  47 -10.607  -5.382 -15.820
  377   1HE   LYS  47          HE2       LYS  47 -11.337  -5.971 -18.720
  378   2HE   LYS  47          HE3       LYS  47 -12.521  -5.325 -17.583
  379   1HZ   LYS  47          HZ1       LYS  47 -11.201  -3.379 -17.294
  380   2HZ   LYS  47          HZ2       LYS  47  -9.956  -3.948 -18.187
  381   3HZ   LYS  47          HZ3       LYS  47 -11.392  -3.602 -18.893
  Start of MODEL    9
    1   1H    ALA   1          H1        ALA   1  -7.018  -3.519   3.426
    2   2H    ALA   1          H2        ALA   1  -6.250  -2.937   2.090
    3   3H    ALA   1          H3        ALA   1  -7.647  -3.782   1.927
    4    HA   ALA   1           HA       ALA   1  -5.101  -4.841   2.924
    5   1HB   ALA   1          HB1       ALA   1  -7.721  -6.308   2.362
    6   2HB   ALA   1          HB2       ALA   1  -6.176  -7.064   2.804
    7   3HB   ALA   1          HB3       ALA   1  -7.003  -6.008   3.961
    8    H    ILE   2           H        ILE   2  -3.641  -5.149   1.324
    9    HA   ILE   2           HA       ILE   2  -4.271  -4.764  -1.433
   10    HB   ILE   2           HB       ILE   2  -1.951  -5.670  -1.816
   11   1HG1  ILE   2          2HG1      ILE   2  -1.668  -5.663   1.217
   12   2HG1  ILE   2          3HG1      ILE   2  -1.923  -7.134   0.275
   13   1HG2  ILE   2          1HG2      ILE   2  -2.281  -3.369   0.154
   14   2HG2  ILE   2          2HG2      ILE   2  -0.856  -3.664  -0.865
   15   3HG2  ILE   2          3HG2      ILE   2  -2.397  -3.305  -1.620
   16   1HD1  ILE   2          1HD1      ILE   2   0.436  -6.866   0.742
   17   2HD1  ILE   2          2HD1      ILE   2   0.147  -6.708  -1.000
   18   3HD1  ILE   2          3HD1      ILE   2   0.460  -5.263  -0.006
   19    H    LYS   3           H        LYS   3  -4.123  -6.154  -3.130
   20    HA   LYS   3           HA       LYS   3  -4.470  -9.083  -2.751
   21   1HB   LYS   3          HB2       LYS   3  -5.102  -7.178  -5.069
   22   2HB   LYS   3          HB3       LYS   3  -5.056  -8.921  -5.269
   23   1HG   LYS   3          HG2       LYS   3  -6.937  -7.555  -3.297
   24   2HG   LYS   3          HG3       LYS   3  -7.338  -7.872  -4.989
   25   1HD   LYS   3          HD2       LYS   3  -6.965 -10.306  -4.644
   26   2HD   LYS   3          HD3       LYS   3  -6.560 -10.006  -2.952
   27   1HE   LYS   3          HE2       LYS   3  -8.831 -10.825  -3.131
   28   2HE   LYS   3          HE3       LYS   3  -8.830  -9.174  -2.509
   29   1HZ   LYS   3          HZ1       LYS   3  -9.547  -8.392  -4.640
   30   2HZ   LYS   3          HZ2       LYS   3  -9.344  -9.848  -5.364
   31   3HZ   LYS   3          HZ3       LYS   3 -10.523  -9.635  -4.241
   32    H    LEU   4           H        LEU   4  -3.165 -10.242  -4.458
   33    HA   LEU   4           HA       LEU   4  -0.726  -8.803  -5.378
   34   1HB   LEU   4          HB2       LEU   4  -0.917 -11.701  -4.431
   35   2HB   LEU   4          HB3       LEU   4   0.488 -10.959  -5.189
   36    HG   LEU   4           HG       LEU   4  -0.686 -10.165  -2.482
   37   1HD1  LEU   4          1HD1      LEU   4   1.854 -11.701  -3.177
   38   2HD1  LEU   4          2HD1      LEU   4   1.334 -11.212  -1.548
   39   3HD1  LEU   4          3HD1      LEU   4   0.378 -12.386  -2.464
   40   1HD2  LEU   4          1HD2      LEU   4   1.845  -9.231  -3.898
   41   2HD2  LEU   4          2HD2      LEU   4   0.419  -8.233  -3.532
   42   3HD2  LEU   4          3HD2      LEU   4   1.413  -8.853  -2.214
   43    H    VAL   5           H        VAL   5  -0.473  -9.073  -7.602
   44    HA   VAL   5           HA       VAL   5  -2.570 -10.712  -8.943
   45    HB   VAL   5           HB       VAL   5  -2.048  -7.791  -9.615
   46   1HG1  VAL   5          1HG1      VAL   5  -4.359  -9.718 -10.128
   47   2HG1  VAL   5          2HG1      VAL   5  -4.371  -8.000 -10.558
   48   3HG1  VAL   5          3HG1      VAL   5  -3.218  -9.083 -11.338
   49   1HG2  VAL   5          1HG2      VAL   5  -2.855  -7.708  -7.289
   50   2HG2  VAL   5          2HG2      VAL   5  -4.088  -7.149  -8.403
   51   3HG2  VAL   5          3HG2      VAL   5  -4.215  -8.779  -7.711
   52    H    GLN   6           H        GLN   6  -2.087 -11.339 -11.049
   53    HA   GLN   6           HA       GLN   6   0.040 -10.117 -12.516
   54   1HB   GLN   6          HB2       GLN   6   1.198 -12.283 -13.019
   55   2HB   GLN   6          HB3       GLN   6   1.490 -11.663 -11.407
   56   1HG   GLN   6          HG2       GLN   6  -0.544 -13.865 -11.958
   57   2HG   GLN   6          HG3       GLN   6   1.153 -14.172 -11.643
   58   1HE2  GLN   6          2HE2      GLN   6   2.081 -13.215  -9.536
   59   2HE2  GLN   6          1HE2      GLN   6   1.034 -13.268  -8.142
   60    H    SER   7           H        SER   7  -0.331 -10.378 -14.714
   61    HA   SER   7           HA       SER   7  -1.785 -12.434 -15.966
   62   1HB   SER   7          HB2       SER   7  -3.366  -9.894 -15.368
   63   2HB   SER   7          HB3       SER   7  -3.723 -10.895 -16.782
   64    HG   SER   7           HG       SER   7  -3.526 -11.998 -14.198
   65    HA   PRO   8           HA       PRO   8   0.575 -10.471 -19.107
   66   1HB   PRO   8          HB2       PRO   8  -0.628 -11.191 -21.475
   67   2HB   PRO   8          HB3       PRO   8   0.281 -12.320 -20.428
   68   1HG   PRO   8          HG2       PRO   8  -2.719 -11.881 -20.531
   69   2HG   PRO   8          HG3       PRO   8  -1.825 -13.435 -20.549
   70   1HD   PRO   8          HD2       PRO   8  -2.893 -12.449 -18.260
   71   2HD   PRO   8          HD3       PRO   8  -1.303 -13.267 -18.247
   72    H    ASN   9           H        ASN   9  -2.880  -9.663 -19.086
   73    HA   ASN   9           HA       ASN   9  -2.748  -7.615 -21.067
   74   1HB   ASN   9          HB2       ASN   9  -4.738  -8.138 -18.817
   75   2HB   ASN   9          HB3       ASN   9  -4.925  -6.829 -19.972
   76   1HD2  ASN   9          2HD2      ASN   9  -6.139  -9.811 -19.446
   77   2HD2  ASN   9          1HD2      ASN   9  -6.385 -10.330 -21.091
   78    H    GLY  10           H        GLY  10  -1.925  -7.523 -17.623
   79   1HA   GLY  10          HA2       GLY  10  -1.312  -5.800 -16.224
   80   2HA   GLY  10          HA3       GLY  10  -0.642  -5.038 -17.677
   81    H    ASN  11           H        ASN  11  -4.002  -5.715 -16.580
   82    HA   ASN  11           HA       ASN  11  -4.995  -3.259 -17.735
   83   1HB   ASN  11          HB2       ASN  11  -6.367  -5.275 -17.765
   84   2HB   ASN  11          HB3       ASN  11  -6.343  -5.347 -16.001
   85   1HD2  ASN  11          2HD2      ASN  11  -8.620  -5.129 -15.735
   86   2HD2  ASN  11          1HD2      ASN  11  -9.457  -3.630 -16.119
   87    H    PHE  12           H        PHE  12  -3.472  -1.885 -16.529
   88    HA   PHE  12           HA       PHE  12  -3.556  -1.310 -13.809
   89   1HB   PHE  12          HB2       PHE  12  -1.871  -0.384 -15.236
   90   2HB   PHE  12          HB3       PHE  12  -3.059   0.407 -16.259
   91    HD1  PHE  12           HD1      PHE  12  -3.904   2.596 -15.763
   92    HD2  PHE  12           HD2      PHE  12  -1.445   0.526 -12.885
   93    HE1  PHE  12           HE1      PHE  12  -3.648   4.692 -14.467
   94    HE2  PHE  12           HE2      PHE  12  -1.210   2.626 -11.582
   95    HZ   PHE  12           HZ       PHE  12  -2.308   4.713 -12.371
   96    H    ALA  13           H        ALA  13  -5.203  -0.712 -12.534
   97    HA   ALA  13           HA       ALA  13  -7.689   0.306 -13.759
   98   1HB   ALA  13          HB1       ALA  13  -7.149  -0.893 -11.014
   99   2HB   ALA  13          HB2       ALA  13  -8.740  -0.530 -11.708
  100   3HB   ALA  13          HB3       ALA  13  -7.724  -1.782 -12.444
  101    H    ALA  14           H        ALA  14  -5.101   1.720 -12.150
  102    HA   ALA  14           HA       ALA  14  -4.644   3.436 -10.843
  103   1HB   ALA  14          HB1       ALA  14  -5.800   5.541 -11.205
  104   2HB   ALA  14          HB2       ALA  14  -5.519   4.701 -12.740
  105   3HB   ALA  14          HB3       ALA  14  -7.140   4.705 -12.017
  106    H    SER  15           H        SER  15  -8.269   3.414 -10.404
  107    HA   SER  15           HA       SER  15  -8.019   2.540  -7.700
  108   1HB   SER  15          HB2       SER  15  -8.669   4.517  -6.515
  109   2HB   SER  15          HB3       SER  15  -7.243   4.918  -7.447
  110    HG   SER  15           HG       SER  15  -8.575   5.971  -8.946
  111    H    PHE  16           H        PHE  16 -10.223   2.536  -6.589
  112    HA   PHE  16           HA       PHE  16 -12.593   2.759  -8.264
  113   1HB   PHE  16          HB2       PHE  16 -11.461   0.567  -8.948
  114   2HB   PHE  16          HB3       PHE  16 -11.672   0.029  -7.285
  115    HD1  PHE  16           HD1      PHE  16 -13.887   1.672  -9.890
  116    HD2  PHE  16           HD2      PHE  16 -13.315  -1.622  -7.153
  117    HE1  PHE  16           HE1      PHE  16 -16.082   0.732 -10.552
  118    HE2  PHE  16           HE2      PHE  16 -15.503  -2.564  -7.841
  119    HZ   PHE  16           HZ       PHE  16 -16.894  -1.388  -9.533
  120    H    VAL  17           H        VAL  17 -14.462   1.559  -6.821
  121    HA   VAL  17           HA       VAL  17 -13.931   1.804  -3.936
  122    HB   VAL  17           HB       VAL  17 -16.241   3.176  -5.384
  123   1HG1  VAL  17          1HG1      VAL  17 -15.720   2.937  -2.384
  124   2HG1  VAL  17          2HG1      VAL  17 -16.994   3.909  -3.146
  125   3HG1  VAL  17          3HG1      VAL  17 -17.041   2.153  -3.277
  126   1HG2  VAL  17          1HG2      VAL  17 -14.015   4.344  -3.659
  127   2HG2  VAL  17          2HG2      VAL  17 -14.185   4.546  -5.420
  128   3HG2  VAL  17          3HG2      VAL  17 -15.384   5.249  -4.335
  129    H    LEU  18           H        LEU  18 -14.843   0.049  -2.917
  130    HA   LEU  18           HA       LEU  18 -16.989  -1.530  -4.110
  131   1HB   LEU  18          HB2       LEU  18 -15.057  -2.403  -5.357
  132   2HB   LEU  18          HB3       LEU  18 -14.125  -2.563  -3.883
  133    HG   LEU  18           HG       LEU  18 -15.715  -4.331  -3.081
  134   1HD1  LEU  18          1HD1      LEU  18 -16.841  -4.122  -5.915
  135   2HD1  LEU  18          2HD1      LEU  18 -17.220  -5.395  -4.735
  136   3HD1  LEU  18          3HD1      LEU  18 -17.722  -3.732  -4.425
  137   1HD2  LEU  18          1HD2      LEU  18 -14.378  -4.841  -5.768
  138   2HD2  LEU  18          2HD2      LEU  18 -13.595  -4.900  -4.175
  139   3HD2  LEU  18          3HD2      LEU  18 -14.853  -6.075  -4.580
  140    H    ASP  19           H        ASP  19 -17.973  -2.749  -2.478
  141    HA   ASP  19           HA       ASP  19 -18.739  -3.054  -0.395
  142   1HB   ASP  19          HB2       ASP  19 -17.174  -4.917  -0.701
  143   2HB   ASP  19          HB3       ASP  19 -15.892  -3.983   0.072
  144    H    GLY  20           H        GLY  20 -18.416  -0.439  -0.705
  145   1HA   GLY  20          HA2       GLY  20 -18.414   1.523   0.443
  146   2HA   GLY  20          HA3       GLY  20 -18.489   0.547   1.917
  147    H    THR  21           H        THR  21 -15.701   0.248  -0.240
  148    HA   THR  21           HA       THR  21 -13.985   1.785   1.647
  149    HB   THR  21           HB       THR  21 -13.481  -0.999   0.491
  150    HG1  THR  21           HG1      THR  21 -15.104  -1.129   2.011
  151   1HG2  THR  21          1HG2      THR  21 -11.987   0.594   2.622
  152   2HG2  THR  21          2HG2      THR  21 -11.694  -1.116   2.224
  153   3HG2  THR  21          3HG2      THR  21 -11.385   0.128   1.015
  154    H    LYS  22           H        LYS  22 -12.110   2.692   0.621
  155    HA   LYS  22           HA       LYS  22 -12.327   3.068  -2.296
  156   1HB   LYS  22          HB2       LYS  22 -11.859   5.012  -0.795
  157   2HB   LYS  22          HB3       LYS  22 -10.411   4.204  -0.199
  158   1HG   LYS  22          HG2       LYS  22  -9.735   5.888  -1.756
  159   2HG   LYS  22          HG3       LYS  22  -9.415   4.323  -2.486
  160   1HD   LYS  22          HD2       LYS  22 -11.665   4.615  -3.728
  161   2HD   LYS  22          HD3       LYS  22 -11.661   6.283  -3.137
  162   1HE   LYS  22          HE2       LYS  22  -9.455   6.648  -4.241
  163   2HE   LYS  22          HE3       LYS  22  -9.444   4.958  -4.760
  164   1HZ   LYS  22          HZ1       LYS  22 -10.181   6.328  -6.571
  165   2HZ   LYS  22          HZ2       LYS  22 -11.472   5.464  -6.068
  166   3HZ   LYS  22          HZ3       LYS  22 -11.342   7.047  -5.668
  167    H    TRP  23           H        TRP  23 -10.716   2.366  -3.754
  168    HA   TRP  23           HA       TRP  23  -8.662   0.439  -2.781
  169   1HB   TRP  23          HB2       TRP  23 -10.733   0.141  -5.003
  170   2HB   TRP  23          HB3       TRP  23  -9.397  -0.945  -4.788
  171    HD1  TRP  23           HD1      TRP  23 -12.626   0.079  -3.153
  172    HE1  TRP  23           HE1      TRP  23 -13.475  -1.707  -1.547
  173    HE3  TRP  23           HE3      TRP  23  -8.675  -3.151  -3.436
  174    HZ2  TRP  23           HZ2      TRP  23 -12.523  -4.245  -0.486
  175    HZ3  TRP  23           HZ3      TRP  23  -8.673  -5.250  -2.136
  176    HH2  TRP  23           HH2      TRP  23 -10.592  -5.816  -0.660
  177    H    ILE  24           H        ILE  24  -6.700   0.574  -4.080
  178    HA   ILE  24           HA       ILE  24  -6.508   2.588  -6.178
  179    HB   ILE  24           HB       ILE  24  -6.704   3.928  -4.135
  180   1HG1  ILE  24          2HG1      ILE  24  -3.877   4.184  -5.208
  181   2HG1  ILE  24          3HG1      ILE  24  -5.318   4.648  -6.120
  182   1HG2  ILE  24          1HG2      ILE  24  -4.106   2.649  -3.189
  183   2HG2  ILE  24          2HG2      ILE  24  -5.012   3.941  -2.377
  184   3HG2  ILE  24          3HG2      ILE  24  -5.712   2.332  -2.502
  185   1HD1  ILE  24          1HD1      ILE  24  -4.404   5.849  -3.476
  186   2HD1  ILE  24          2HD1      ILE  24  -4.379   6.608  -5.074
  187   3HD1  ILE  24          3HD1      ILE  24  -5.934   6.245  -4.299
  188    H    PHE  25           H        PHE  25  -4.403   2.723  -7.137
  189    HA   PHE  25           HA       PHE  25  -2.860   0.400  -7.435
  190   1HB   PHE  25          HB2       PHE  25  -2.937   2.213  -9.055
  191   2HB   PHE  25          HB3       PHE  25  -2.301   3.354  -7.881
  192    HD1  PHE  25           HD1      PHE  25  -0.010   3.889  -7.952
  193    HD2  PHE  25           HD2      PHE  25  -1.339   0.124  -9.578
  194    HE1  PHE  25           HE1      PHE  25   2.280   3.430  -8.782
  195    HE2  PHE  25           HE2      PHE  25   0.937  -0.333 -10.398
  196    HZ   PHE  25           HZ       PHE  25   2.764   1.328 -10.019
  197    H    LYS  26           H        LYS  26  -0.636  -0.052  -6.871
  198    HA   LYS  26           HA       LYS  26   0.546   1.505  -4.691
  199   1HB   LYS  26          HB2       LYS  26  -0.774  -0.417  -3.672
  200   2HB   LYS  26          HB3       LYS  26   0.387  -1.514  -4.386
  201   1HG   LYS  26          HG2       LYS  26   1.044   0.693  -2.400
  202   2HG   LYS  26          HG3       LYS  26   0.767  -1.005  -2.001
  203   1HD   LYS  26          HD2       LYS  26   2.702  -1.578  -3.569
  204   2HD   LYS  26          HD3       LYS  26   3.091   0.148  -3.587
  205   1HE   LYS  26          HE2       LYS  26   2.935  -1.614  -1.100
  206   2HE   LYS  26          HE3       LYS  26   4.420  -1.185  -1.950
  207   1HZ   LYS  26          HZ1       LYS  26   2.627   0.742  -0.591
  208   2HZ   LYS  26          HZ2       LYS  26   4.085   0.249  -0.068
  209   3HZ   LYS  26          HZ3       LYS  26   3.981   1.146  -1.421
  210    H    SER  27           H        SER  27   1.242  -1.567  -6.619
  211    HA   SER  27           HA       SER  27   3.466  -0.139  -7.947
  212   1HB   SER  27          HB2       SER  27   3.863  -2.726  -6.373
  213   2HB   SER  27          HB3       SER  27   5.077  -1.893  -7.350
  214    HG   SER  27           HG       SER  27   5.367  -1.401  -5.183
  215    H    LYS  28           H        LYS  28   4.133  -1.190  -9.923
  216    HA   LYS  28           HA       LYS  28   3.144  -3.866 -10.485
  217   1HB   LYS  28          HB2       LYS  28   2.169  -3.406 -12.624
  218   2HB   LYS  28          HB3       LYS  28   1.309  -2.473 -11.407
  219   1HG   LYS  28          HG2       LYS  28   2.594  -0.429 -12.095
  220   2HG   LYS  28          HG3       LYS  28   3.436  -1.386 -13.320
  221   1HD   LYS  28          HD2       LYS  28   1.215  -1.947 -14.353
  222   2HD   LYS  28          HD3       LYS  28   0.439  -0.836 -13.224
  223   1HE   LYS  28          HE2       LYS  28   2.597  -0.118 -15.273
  224   2HE   LYS  28          HE3       LYS  28   0.868   0.131 -15.498
  225   1HZ   LYS  28          HZ1       LYS  28   0.907   1.693 -13.631
  226   2HZ   LYS  28          HZ2       LYS  28   2.525   1.478 -13.439
  227   3HZ   LYS  28          HZ3       LYS  28   1.943   2.154 -14.797
  228    H    TYR  29           H        TYR  29   4.357  -4.878 -12.229
  229    HA   TYR  29           HA       TYR  29   6.384  -3.375 -13.640
  230   1HB   TYR  29          HB2       TYR  29   8.302  -4.599 -12.924
  231   2HB   TYR  29          HB3       TYR  29   7.576  -3.896 -11.502
  232    HD1  TYR  29           HD1      TYR  29   6.108  -5.440  -9.985
  233    HD2  TYR  29           HD2      TYR  29   8.791  -6.914 -13.030
  234    HE1  TYR  29           HE1      TYR  29   6.176  -7.635  -8.852
  235    HE2  TYR  29           HE2      TYR  29   8.878  -9.108 -11.892
  236    HH   TYR  29           HH       TYR  29   7.077  -9.794  -8.862
  237    H    TYR  30           H        TYR  30   7.388  -4.809 -15.333
  238    HA   TYR  30           HA       TYR  30   5.537  -6.996 -16.139
  239   1HB   TYR  30          HB2       TYR  30   6.028  -5.176 -17.762
  240   2HB   TYR  30          HB3       TYR  30   7.734  -5.602 -17.707
  241    HD1  TYR  30           HD1      TYR  30   8.571  -7.488 -18.996
  242    HD2  TYR  30           HD2      TYR  30   4.328  -6.826 -18.606
  243    HE1  TYR  30           HE1      TYR  30   8.151  -9.107 -20.827
  244    HE2  TYR  30           HE2      TYR  30   3.893  -8.433 -20.434
  245    HH   TYR  30           HH       TYR  30   4.847  -9.843 -22.034
  246    H    ASP  31           H        ASP  31   6.164  -9.009 -15.539
  247    HA   ASP  31           HA       ASP  31   8.952  -9.466 -14.647
  248   1HB   ASP  31          HB2       ASP  31   7.225 -10.327 -13.167
  249   2HB   ASP  31          HB3       ASP  31   6.511 -11.255 -14.492
  250    H    SER  32           H        SER  32   9.982  -9.305 -16.658
  251    HA   SER  32           HA       SER  32   9.280 -10.679 -19.012
  252   1HB   SER  32          HB2       SER  32  11.834 -10.326 -19.429
  253   2HB   SER  32          HB3       SER  32  10.765  -8.927 -19.261
  254    HG   SER  32           HG       SER  32  12.677  -8.716 -18.017
  255    H    SER  33           H        SER  33  10.496 -12.046 -16.025
  256    HA   SER  33           HA       SER  33  11.841 -14.318 -17.119
  257   1HB   SER  33          HB2       SER  33  10.278 -14.489 -14.555
  258   2HB   SER  33          HB3       SER  33  11.870 -15.146 -14.952
  259    HG   SER  33           HG       SER  33  11.036 -12.578 -14.208
  260    H    LYS  34           H        LYS  34   8.432 -13.484 -16.816
  261    HA   LYS  34           HA       LYS  34   7.660 -16.172 -17.889
  262   1HB   LYS  34          HB2       LYS  34   6.306 -14.496 -15.744
  263   2HB   LYS  34          HB3       LYS  34   5.528 -15.860 -16.558
  264   1HG   LYS  34          HG2       LYS  34   7.301 -17.387 -15.752
  265   2HG   LYS  34          HG3       LYS  34   8.089 -16.039 -14.906
  266   1HD   LYS  34          HD2       LYS  34   6.088 -15.699 -13.522
  267   2HD   LYS  34          HD3       LYS  34   5.252 -17.019 -14.375
  268   1HE   LYS  34          HE2       LYS  34   7.005 -18.608 -13.596
  269   2HE   LYS  34          HE3       LYS  34   7.818 -17.289 -12.744
  270   1HZ   LYS  34          HZ1       LYS  34   5.092 -18.286 -12.150
  271   2HZ   LYS  34          HZ2       LYS  34   6.422 -18.556 -11.250
  272   3HZ   LYS  34          HZ3       LYS  34   5.821 -17.045 -11.373
  273    H    GLY  35           H        GLY  35   7.504 -12.721 -18.270
  274   1HA   GLY  35          HA2       GLY  35   6.866 -11.604 -20.157
  275   2HA   GLY  35          HA3       GLY  35   6.229 -13.100 -20.856
  276    H    TYR  36           H        TYR  36   5.406 -11.393 -17.755
  277    HA   TYR  36           HA       TYR  36   2.863 -10.541 -18.842
  278   1HB   TYR  36          HB2       TYR  36   1.446 -11.590 -17.215
  279   2HB   TYR  36          HB3       TYR  36   2.222 -12.776 -18.229
  280    HD1  TYR  36           HD1      TYR  36   0.886 -13.977 -16.298
  281    HD2  TYR  36           HD2      TYR  36   4.691 -12.011 -15.739
  282    HE1  TYR  36           HE1      TYR  36   1.304 -15.354 -14.294
  283    HE2  TYR  36           HE2      TYR  36   5.092 -13.352 -13.728
  284    HH   TYR  36           HH       TYR  36   2.777 -15.838 -12.550
  285    H    TRP  37           H        TRP  37   1.605  -9.222 -17.143
  286    HA   TRP  37           HA       TRP  37   3.538  -7.535 -15.682
  287   1HB   TRP  37          HB2       TRP  37   0.568  -7.330 -16.260
  288   2HB   TRP  37          HB3       TRP  37   1.377  -6.310 -15.084
  289    HD1  TRP  37           HD1      TRP  37   1.142  -6.849 -18.853
  290    HE1  TRP  37           HE1      TRP  37   2.178  -4.862 -20.071
  291    HE3  TRP  37           HE3      TRP  37   3.159  -4.420 -14.828
  292    HZ2  TRP  37           HZ2      TRP  37   3.775  -2.526 -19.392
  293    HZ3  TRP  37           HZ3      TRP  37   4.483  -2.342 -15.149
  294    HH2  TRP  37           HH2      TRP  37   4.788  -1.386 -17.420
  295    H    VAL  38           H        VAL  38   3.429  -7.257 -13.467
  296    HA   VAL  38           HA       VAL  38   1.844  -9.104 -11.802
  297    HB   VAL  38           HB       VAL  38   4.856  -8.657 -11.560
  298   1HG1  VAL  38          1HG1      VAL  38   3.849  -9.089  -9.378
  299   2HG1  VAL  38          2HG1      VAL  38   2.960 -10.486 -10.016
  300   3HG1  VAL  38          3HG1      VAL  38   4.731 -10.524  -9.889
  301   1HG2  VAL  38          1HG2      VAL  38   3.394 -11.113 -12.601
  302   2HG2  VAL  38          2HG2      VAL  38   4.552 -10.100 -13.478
  303   3HG2  VAL  38          3HG2      VAL  38   5.102 -11.083 -12.124
  304    H    GLY  39           H        GLY  39   1.520  -8.092  -9.627
  305   1HA   GLY  39          HA2       GLY  39   2.860  -5.590  -9.055
  306   2HA   GLY  39          HA3       GLY  39   1.180  -5.351  -9.548
  307    H    ILE  40           H        ILE  40   1.987  -4.501  -7.219
  308    HA   ILE  40           HA       ILE  40   0.750  -6.244  -5.143
  309    HB   ILE  40           HB       ILE  40   2.446  -3.739  -4.705
  310   1HG1  ILE  40          2HG1      ILE  40   4.033  -5.294  -5.622
  311   2HG1  ILE  40          3HG1      ILE  40   4.317  -5.068  -3.909
  312   1HG2  ILE  40          1HG2      ILE  40   0.867  -4.239  -2.919
  313   2HG2  ILE  40          2HG2      ILE  40   1.481  -5.898  -2.792
  314   3HG2  ILE  40          3HG2      ILE  40   2.518  -4.524  -2.356
  315   1HD1  ILE  40          1HD1      ILE  40   3.293  -7.255  -3.412
  316   2HD1  ILE  40          2HD1      ILE  40   2.928  -7.486  -5.144
  317   3HD1  ILE  40          3HD1      ILE  40   4.608  -7.415  -4.586
  318    H    TYR  41           H        TYR  41  -1.384  -5.426  -4.779
  319    HA   TYR  41           HA       TYR  41  -1.961  -2.719  -5.892
  320   1HB   TYR  41          HB2       TYR  41  -2.317  -5.252  -7.248
  321   2HB   TYR  41          HB3       TYR  41  -3.901  -4.679  -6.799
  322    HD1  TYR  41           HD1      TYR  41  -1.664  -4.691  -9.424
  323    HD2  TYR  41           HD2      TYR  41  -4.054  -1.905  -7.168
  324    HE1  TYR  41           HE1      TYR  41  -1.798  -3.199 -11.408
  325    HE2  TYR  41           HE2      TYR  41  -4.181  -0.411  -9.144
  326    HH   TYR  41           HH       TYR  41  -3.451  -0.012 -11.258
  327    H    GLU  42           H        GLU  42  -3.710  -1.707  -4.880
  328    HA   GLU  42           HA       GLU  42  -5.358  -3.425  -3.097
  329   1HB   GLU  42          HB2       GLU  42  -3.842  -1.685  -1.980
  330   2HB   GLU  42          HB3       GLU  42  -4.874  -0.449  -2.685
  331   1HG   GLU  42          HG2       GLU  42  -6.791  -1.223  -1.426
  332   2HG   GLU  42          HG3       GLU  42  -5.990  -2.742  -1.033
  333    H    VAL  43           H        VAL  43  -5.714  -3.235  -5.930
  334    HA   VAL  43           HA       VAL  43  -8.482  -2.648  -5.790
  335    HB   VAL  43           HB       VAL  43  -7.933  -0.380  -6.304
  336   1HG1  VAL  43          1HG1      VAL  43  -6.849   0.414  -8.314
  337   2HG1  VAL  43          2HG1      VAL  43  -5.753  -0.524  -7.311
  338   3HG1  VAL  43          3HG1      VAL  43  -6.449  -1.247  -8.785
  339   1HG2  VAL  43          1HG2      VAL  43  -8.967  -1.603  -8.872
  340   2HG2  VAL  43          2HG2      VAL  43  -9.923  -1.392  -7.392
  341   3HG2  VAL  43          3HG2      VAL  43  -9.258   0.025  -8.237
  342    H    TRP  44           H        TRP  44  -5.799  -3.356  -8.158
  343    HA   TRP  44           HA       TRP  44  -7.612  -4.530  -9.966
  344   1HB   TRP  44          HB2       TRP  44  -5.326  -3.637 -10.500
  345   2HB   TRP  44          HB3       TRP  44  -4.638  -5.080  -9.754
  346    HD1  TRP  44           HD1      TRP  44  -7.678  -5.192 -12.130
  347    HE1  TRP  44           HE1      TRP  44  -7.123  -6.545 -14.174
  348    HE3  TRP  44           HE3      TRP  44  -2.633  -5.682 -11.372
  349    HZ2  TRP  44           HZ2      TRP  44  -4.738  -7.728 -15.391
  350    HZ3  TRP  44           HZ3      TRP  44  -1.231  -6.862 -13.036
  351    HH2  TRP  44           HH2      TRP  44  -2.262  -7.892 -15.042
  352    H    ASP  45           H        ASP  45  -7.796  -6.764 -10.643
  353    HA   ASP  45           HA       ASP  45  -7.295  -8.862  -8.632
  354   1HB   ASP  45          HB2       ASP  45  -9.413  -7.645  -7.980
  355   2HB   ASP  45          HB3       ASP  45 -10.112  -8.111  -9.531
  356    H    ARG  46           H        ARG  46  -6.256  -8.432 -11.271
  357    HA   ARG  46           HA       ARG  46  -5.593  -9.733 -13.009
  358   1HB   ARG  46          HB2       ARG  46  -7.812 -11.730 -12.484
  359   2HB   ARG  46          HB3       ARG  46  -6.380 -11.963 -13.433
  360   1HG   ARG  46          HG2       ARG  46  -5.026 -12.404 -11.639
  361   2HG   ARG  46          HG3       ARG  46  -5.890 -11.349 -10.527
  362   1HD   ARG  46          HD2       ARG  46  -7.005 -13.991 -11.525
  363   2HD   ARG  46          HD3       ARG  46  -6.132 -13.763  -9.998
  364    HE   ARG  46           HE       ARG  46  -8.348 -11.911 -10.278
  365   1HH1  ARG  46          1HH2      ARG  46  -7.665 -15.301  -9.481
  366   2HH1  ARG  46          2HH2      ARG  46  -9.004 -15.472  -8.410
  367   1HH2  ARG  46          1HH1      ARG  46 -10.059 -12.079  -8.720
  368   2HH2  ARG  46          2HH1      ARG  46 -10.416 -13.619  -8.017
  369    H    LYS  47           H        LYS  47  -9.038  -9.249 -12.605
  370    HA   LYS  47           HA       LYS  47 -10.122  -9.635 -15.089
  371   1HB   LYS  47          HB2       LYS  47 -10.699  -7.470 -13.027
  372   2HB   LYS  47          HB3       LYS  47 -11.749  -7.799 -14.408
  373   1HG   LYS  47          HG2       LYS  47 -12.302  -9.989 -13.646
  374   2HG   LYS  47          HG3       LYS  47 -11.001 -10.004 -12.447
  375   1HD   LYS  47          HD2       LYS  47 -12.114  -8.271 -11.123
  376   2HD   LYS  47          HD3       LYS  47 -13.381  -8.113 -12.345
  377   1HE   LYS  47          HE2       LYS  47 -14.165  -9.429 -10.437
  378   2HE   LYS  47          HE3       LYS  47 -14.166 -10.384 -11.920
  379   1HZ   LYS  47          HZ1       LYS  47 -12.150 -11.466 -11.174
  380   2HZ   LYS  47          HZ2       LYS  47 -12.051 -10.539  -9.825
  381   3HZ   LYS  47          HZ3       LYS  47 -13.285 -11.597 -10.012
  Start of MODEL   10
    1   1H    ALA   1          H1        ALA   1  -7.828  -4.764   3.340
    2   2H    ALA   1          H2        ALA   1  -7.638  -3.870   1.976
    3   3H    ALA   1          H3        ALA   1  -8.174  -5.410   1.867
    4    HA   ALA   1           HA       ALA   1  -5.512  -4.568   2.759
    5   1HB   ALA   1          HB1       ALA   1  -6.237  -6.619   3.938
    6   2HB   ALA   1          HB2       ALA   1  -6.605  -7.396   2.380
    7   3HB   ALA   1          HB3       ALA   1  -4.932  -6.969   2.793
    8    H    ILE   2           H        ILE   2  -3.789  -5.056   1.263
    9    HA   ILE   2           HA       ILE   2  -4.370  -4.691  -1.520
   10    HB   ILE   2           HB       ILE   2  -1.948  -5.445  -1.806
   11   1HG1  ILE   2          2HG1      ILE   2  -1.803  -5.233   1.230
   12   2HG1  ILE   2          3HG1      ILE   2  -1.895  -6.776   0.376
   13   1HG2  ILE   2          1HG2      ILE   2  -2.627  -3.122  -1.759
   14   2HG2  ILE   2          2HG2      ILE   2  -2.549  -3.082   0.016
   15   3HG2  ILE   2          3HG2      ILE   2  -1.077  -3.300  -0.955
   16   1HD1  ILE   2          1HD1      ILE   2   0.335  -4.725   0.050
   17   2HD1  ILE   2          2HD1      ILE   2   0.412  -6.251   0.942
   18   3HD1  ILE   2          3HD1      ILE   2   0.199  -6.278  -0.816
   19    H    LYS   3           H        LYS   3  -3.884  -6.098  -3.224
   20    HA   LYS   3           HA       LYS   3  -4.126  -9.026  -2.757
   21   1HB   LYS   3          HB2       LYS   3  -5.186  -7.272  -5.037
   22   2HB   LYS   3          HB3       LYS   3  -5.079  -9.033  -5.123
   23   1HG   LYS   3          HG2       LYS   3  -6.640  -9.288  -3.262
   24   2HG   LYS   3          HG3       LYS   3  -6.717  -7.532  -3.031
   25   1HD   LYS   3          HD2       LYS   3  -7.738  -7.221  -5.222
   26   2HD   LYS   3          HD3       LYS   3  -7.573  -8.952  -5.591
   27   1HE   LYS   3          HE2       LYS   3  -9.069  -9.534  -3.735
   28   2HE   LYS   3          HE3       LYS   3  -9.177  -7.838  -3.244
   29   1HZ   LYS   3          HZ1       LYS   3 -10.311  -7.351  -5.300
   30   2HZ   LYS   3          HZ2       LYS   3 -10.139  -8.887  -5.856
   31   3HZ   LYS   3          HZ3       LYS   3 -11.089  -8.577  -4.558
   32    H    LEU   4           H        LEU   4  -2.908 -10.188  -4.477
   33    HA   LEU   4           HA       LEU   4  -0.645  -8.645  -5.663
   34   1HB   LEU   4          HB2       LEU   4  -0.603 -11.512  -4.616
   35   2HB   LEU   4          HB3       LEU   4   0.696 -10.716  -5.499
   36    HG   LEU   4           HG       LEU   4  -0.312  -9.956  -2.719
   37   1HD1  LEU   4          1HD1      LEU   4   0.986 -12.055  -2.801
   38   2HD1  LEU   4          2HD1      LEU   4   2.311 -11.211  -3.632
   39   3HD1  LEU   4          3HD1      LEU   4   1.877 -10.774  -1.964
   40   1HD2  LEU   4          1HD2      LEU   4   0.453  -7.928  -3.795
   41   2HD2  LEU   4          2HD2      LEU   4   1.701  -8.450  -2.668
   42   3HD2  LEU   4          3HD2      LEU   4   1.911  -8.740  -4.413
   43    H    VAL   5           H        VAL   5  -0.426  -9.041  -7.866
   44    HA   VAL   5           HA       VAL   5  -2.532 -10.777  -9.067
   45    HB   VAL   5           HB       VAL   5  -2.056  -7.880  -9.868
   46   1HG1  VAL   5          1HG1      VAL   5  -3.193  -9.247 -11.551
   47   2HG1  VAL   5          2HG1      VAL   5  -4.307  -9.886 -10.314
   48   3HG1  VAL   5          3HG1      VAL   5  -4.386  -8.188 -10.803
   49   1HG2  VAL   5          1HG2      VAL   5  -2.869  -7.704  -7.563
   50   2HG2  VAL   5          2HG2      VAL   5  -4.153  -7.272  -8.678
   51   3HG2  VAL   5          3HG2      VAL   5  -4.174  -8.867  -7.904
   52    H    GLN   6           H        GLN   6  -2.112 -11.454 -11.196
   53    HA   GLN   6           HA       GLN   6   0.418 -10.723 -12.504
   54   1HB   GLN   6          HB2       GLN   6  -0.378 -13.617 -11.942
   55   2HB   GLN   6          HB3       GLN   6   1.064 -13.051 -12.788
   56   1HG   GLN   6          HG2       GLN   6   1.854 -12.032 -10.644
   57   2HG   GLN   6          HG3       GLN   6   0.459 -12.714  -9.816
   58   1HE2  GLN   6          2HE2      GLN   6   3.578 -13.220  -9.818
   59   2HE2  GLN   6          1HE2      GLN   6   3.664 -14.961  -9.841
   60    H    SER   7           H        SER   7  -0.240 -10.315 -14.652
   61    HA   SER   7           HA       SER   7  -1.914 -12.211 -16.031
   62   1HB   SER   7          HB2       SER   7  -3.014  -9.374 -15.810
   63   2HB   SER   7          HB3       SER   7  -3.709 -10.700 -16.730
   64    HG   SER   7           HG       SER   7  -3.413 -11.516 -14.229
   65    HA   PRO   8           HA       PRO   8   0.749 -10.582 -19.138
   66   1HB   PRO   8          HB2       PRO   8  -0.531 -11.141 -21.510
   67   2HB   PRO   8          HB3       PRO   8   0.239 -12.373 -20.466
   68   1HG   PRO   8          HG2       PRO   8  -2.688 -11.587 -20.569
   69   2HG   PRO   8          HG3       PRO   8  -1.980 -13.235 -20.589
   70   1HD   PRO   8          HD2       PRO   8  -2.930 -12.131 -18.300
   71   2HD   PRO   8          HD3       PRO   8  -1.449 -13.132 -18.286
   72    H    ASN   9           H        ASN   9  -2.596  -9.362 -19.132
   73    HA   ASN   9           HA       ASN   9  -1.999  -7.252 -21.023
   74   1HB   ASN   9          HB2       ASN   9  -4.257  -6.563 -20.778
   75   2HB   ASN   9          HB3       ASN   9  -4.216  -8.314 -20.900
   76   1HD2  ASN   9          2HD2      ASN   9  -6.542  -7.662 -20.053
   77   2HD2  ASN   9          1HD2      ASN   9  -6.739  -7.758 -18.312
   78    H    GLY  10           H        GLY  10  -1.573  -7.486 -17.595
   79   1HA   GLY  10          HA2       GLY  10  -1.078  -5.963 -15.964
   80   2HA   GLY  10          HA3       GLY  10  -0.333  -5.012 -17.255
   81    H    ASN  11           H        ASN  11  -3.823  -5.745 -16.960
   82    HA   ASN  11           HA       ASN  11  -4.675  -3.233 -17.761
   83   1HB   ASN  11          HB2       ASN  11  -6.132  -5.131 -17.863
   84   2HB   ASN  11          HB3       ASN  11  -6.057  -5.357 -16.116
   85   1HD2  ASN  11          2HD2      ASN  11  -8.304  -5.175 -15.783
   86   2HD2  ASN  11          1HD2      ASN  11  -9.166  -3.653 -16.002
   87    H    PHE  12           H        PHE  12  -3.904  -1.415 -16.803
   88    HA   PHE  12           HA       PHE  12  -3.692  -1.044 -13.960
   89   1HB   PHE  12          HB2       PHE  12  -2.159   0.045 -15.455
   90   2HB   PHE  12          HB3       PHE  12  -3.456   0.774 -16.380
   91    HD1  PHE  12           HD1      PHE  12  -1.651   0.901 -13.101
   92    HD2  PHE  12           HD2      PHE  12  -4.382   2.888 -15.787
   93    HE1  PHE  12           HE1      PHE  12  -1.443   2.989 -11.777
   94    HE2  PHE  12           HE2      PHE  12  -4.136   4.980 -14.484
   95    HZ   PHE  12           HZ       PHE  12  -2.682   5.033 -12.465
   96    H    ALA  13           H        ALA  13  -5.416  -0.742 -12.658
   97    HA   ALA  13           HA       ALA  13  -7.963   0.247 -13.750
   98   1HB   ALA  13          HB1       ALA  13  -7.259  -0.863 -11.003
   99   2HB   ALA  13          HB2       ALA  13  -8.889  -0.537 -11.620
  100   3HB   ALA  13          HB3       ALA  13  -7.899  -1.799 -12.375
  101    H    ALA  14           H        ALA  14  -5.337   1.701 -12.185
  102    HA   ALA  14           HA       ALA  14  -4.866   3.423 -10.890
  103   1HB   ALA  14          HB1       ALA  14  -6.048   5.517 -11.167
  104   2HB   ALA  14          HB2       ALA  14  -5.854   4.717 -12.738
  105   3HB   ALA  14          HB3       ALA  14  -7.426   4.690 -11.917
  106    H    SER  15           H        SER  15  -8.469   3.242 -10.397
  107    HA   SER  15           HA       SER  15  -8.164   2.576  -7.617
  108   1HB   SER  15          HB2       SER  15  -9.288   4.815  -6.886
  109   2HB   SER  15          HB3       SER  15  -7.551   4.772  -7.152
  110    HG   SER  15           HG       SER  15  -9.527   5.830  -8.894
  111    H    PHE  16           H        PHE  16 -10.350   2.592  -6.501
  112    HA   PHE  16           HA       PHE  16 -12.743   2.755  -8.126
  113   1HB   PHE  16          HB2       PHE  16 -11.670   0.526  -8.780
  114   2HB   PHE  16          HB3       PHE  16 -11.831   0.034  -7.101
  115    HD1  PHE  16           HD1      PHE  16 -14.070   1.607  -9.723
  116    HD2  PHE  16           HD2      PHE  16 -13.547  -1.543  -6.814
  117    HE1  PHE  16           HE1      PHE  16 -16.307   0.703 -10.292
  118    HE2  PHE  16           HE2      PHE  16 -15.776  -2.455  -7.415
  119    HZ   PHE  16           HZ       PHE  16 -17.160  -1.335  -9.147
  120    H    VAL  17           H        VAL  17 -14.636   1.726  -6.609
  121    HA   VAL  17           HA       VAL  17 -13.985   1.878  -3.749
  122    HB   VAL  17           HB       VAL  17 -16.255   3.456  -5.042
  123   1HG1  VAL  17          1HG1      VAL  17 -16.924   2.485  -2.860
  124   2HG1  VAL  17          2HG1      VAL  17 -15.477   3.186  -2.101
  125   3HG1  VAL  17          3HG1      VAL  17 -16.751   4.237  -2.751
  126   1HG2  VAL  17          1HG2      VAL  17 -13.779   4.445  -3.557
  127   2HG2  VAL  17          2HG2      VAL  17 -14.138   4.686  -5.280
  128   3HG2  VAL  17          3HG2      VAL  17 -15.148   5.458  -4.058
  129    H    LEU  18           H        LEU  18 -15.034   0.198  -2.723
  130    HA   LEU  18           HA       LEU  18 -17.305  -1.189  -3.971
  131   1HB   LEU  18          HB2       LEU  18 -15.369  -2.277  -5.049
  132   2HB   LEU  18          HB3       LEU  18 -14.573  -2.455  -3.496
  133    HG   LEU  18           HG       LEU  18 -16.373  -4.022  -2.747
  134   1HD1  LEU  18          1HD1      LEU  18 -17.872  -5.008  -4.455
  135   2HD1  LEU  18          2HD1      LEU  18 -18.227  -3.297  -4.223
  136   3HD1  LEU  18          3HD1      LEU  18 -17.307  -3.820  -5.649
  137   1HD2  LEU  18          1HD2      LEU  18 -15.608  -5.914  -4.108
  138   2HD2  LEU  18          2HD2      LEU  18 -14.944  -4.795  -5.322
  139   3HD2  LEU  18          3HD2      LEU  18 -14.259  -4.850  -3.682
  140    H    ASP  19           H        ASP  19 -18.573  -1.926  -2.365
  141    HA   ASP  19           HA       ASP  19 -19.477  -2.086  -0.330
  142   1HB   ASP  19          HB2       ASP  19 -18.450  -4.277  -0.686
  143   2HB   ASP  19          HB3       ASP  19 -16.993  -3.748   0.160
  144    H    GLY  20           H        GLY  20 -18.589   0.360  -0.435
  145   1HA   GLY  20          HA2       GLY  20 -18.245   2.181   0.881
  146   2HA   GLY  20          HA3       GLY  20 -18.421   1.113   2.282
  147    H    THR  21           H        THR  21 -15.833   0.406   0.006
  148    HA   THR  21           HA       THR  21 -13.786   1.625   1.798
  149    HB   THR  21           HB       THR  21 -13.728  -1.114   0.445
  150    HG1  THR  21           HG1      THR  21 -15.246  -1.111   2.087
  151   1HG2  THR  21          1HG2      THR  21 -11.481  -0.246   0.855
  152   2HG2  THR  21          2HG2      THR  21 -11.899   0.131   2.544
  153   3HG2  THR  21          3HG2      THR  21 -11.832  -1.558   1.982
  154    H    LYS  22           H        LYS  22 -12.078   2.594   0.652
  155    HA   LYS  22           HA       LYS  22 -12.433   2.866  -2.280
  156   1HB   LYS  22          HB2       LYS  22 -12.128   4.890  -0.858
  157   2HB   LYS  22          HB3       LYS  22 -10.531   4.294  -0.371
  158   1HG   LYS  22          HG2       LYS  22  -9.708   4.480  -2.667
  159   2HG   LYS  22          HG3       LYS  22 -11.337   4.800  -3.272
  160   1HD   LYS  22          HD2       LYS  22 -10.073   6.852  -3.231
  161   2HD   LYS  22          HD3       LYS  22 -11.383   6.949  -2.044
  162   1HE   LYS  22          HE2       LYS  22  -9.768   6.409  -0.226
  163   2HE   LYS  22          HE3       LYS  22  -8.467   6.274  -1.417
  164   1HZ   LYS  22          HZ1       LYS  22  -9.992   8.748  -0.835
  165   2HZ   LYS  22          HZ2       LYS  22  -8.472   8.436  -0.344
  166   3HZ   LYS  22          HZ3       LYS  22  -8.785   8.625  -1.931
  167    H    TRP  23           H        TRP  23 -10.703   2.420  -3.699
  168    HA   TRP  23           HA       TRP  23  -8.649   0.476  -2.788
  169   1HB   TRP  23          HB2       TRP  23 -10.753   0.207  -4.985
  170   2HB   TRP  23          HB3       TRP  23  -9.413  -0.877  -4.799
  171    HD1  TRP  23           HD1      TRP  23 -12.657   0.062  -3.105
  172    HE1  TRP  23           HE1      TRP  23 -13.447  -1.788  -1.544
  173    HE3  TRP  23           HE3      TRP  23  -8.653  -3.102  -3.534
  174    HZ2  TRP  23           HZ2      TRP  23 -12.449  -4.342  -0.587
  175    HZ3  TRP  23           HZ3      TRP  23  -8.603  -5.235  -2.305
  176    HH2  TRP  23           HH2      TRP  23 -10.496  -5.874  -0.826
  177    H    ILE  24           H        ILE  24  -6.717   0.615  -4.130
  178    HA   ILE  24           HA       ILE  24  -6.493   2.837  -6.039
  179    HB   ILE  24           HB       ILE  24  -6.588   3.933  -3.853
  180   1HG1  ILE  24          2HG1      ILE  24  -4.512   5.204  -3.769
  181   2HG1  ILE  24          3HG1      ILE  24  -3.721   4.075  -4.854
  182   1HG2  ILE  24          1HG2      ILE  24  -4.906   3.590  -2.101
  183   2HG2  ILE  24          2HG2      ILE  24  -5.830   2.119  -2.383
  184   3HG2  ILE  24          3HG2      ILE  24  -4.180   2.265  -3.028
  185   1HD1  ILE  24          1HD1      ILE  24  -4.476   6.149  -5.981
  186   2HD1  ILE  24          2HD1      ILE  24  -5.271   4.730  -6.670
  187   3HD1  ILE  24          3HD1      ILE  24  -6.153   5.784  -5.535
  188    H    PHE  25           H        PHE  25  -4.441   2.912  -7.108
  189    HA   PHE  25           HA       PHE  25  -2.949   0.564  -7.540
  190   1HB   PHE  25          HB2       PHE  25  -3.015   2.382  -9.124
  191   2HB   PHE  25          HB3       PHE  25  -2.396   3.523  -7.942
  192    HD1  PHE  25           HD1      PHE  25  -0.060   3.907  -7.682
  193    HD2  PHE  25           HD2      PHE  25  -1.441   0.559 -10.019
  194    HE1  PHE  25           HE1      PHE  25   2.240   3.546  -8.535
  195    HE2  PHE  25           HE2      PHE  25   0.852   0.212 -10.879
  196    HZ   PHE  25           HZ       PHE  25   2.705   1.696 -10.132
  197    H    LYS  26           H        LYS  26  -0.706   0.036  -7.004
  198    HA   LYS  26           HA       LYS  26   0.535   1.569  -4.835
  199   1HB   LYS  26          HB2       LYS  26  -0.805  -0.296  -3.772
  200   2HB   LYS  26          HB3       LYS  26   0.282  -1.441  -4.522
  201   1HG   LYS  26          HG2       LYS  26   1.030   0.696  -2.488
  202   2HG   LYS  26          HG3       LYS  26   0.829  -1.034  -2.183
  203   1HD   LYS  26          HD2       LYS  26   2.699  -1.433  -3.879
  204   2HD   LYS  26          HD3       LYS  26   2.988   0.325  -3.816
  205   1HE   LYS  26          HE2       LYS  26   3.328   0.127  -1.342
  206   2HE   LYS  26          HE3       LYS  26   3.195  -1.631  -1.506
  207   1HZ   LYS  26          HZ1       LYS  26   5.252   0.093  -2.760
  208   2HZ   LYS  26          HZ2       LYS  26   5.497  -0.995  -1.572
  209   3HZ   LYS  26          HZ3       LYS  26   5.099  -1.495  -3.082
  210    H    SER  27           H        SER  27   1.196  -1.539  -6.718
  211    HA   SER  27           HA       SER  27   3.414  -0.145  -8.087
  212   1HB   SER  27          HB2       SER  27   3.840  -2.662  -6.410
  213   2HB   SER  27          HB3       SER  27   5.048  -1.859  -7.417
  214    HG   SER  27           HG       SER  27   4.914  -0.053  -6.034
  215    H    LYS  28           H        LYS  28   4.097  -1.250 -10.017
  216    HA   LYS  28           HA       LYS  28   2.996  -3.890 -10.624
  217   1HB   LYS  28          HB2       LYS  28   1.328  -1.968 -11.338
  218   2HB   LYS  28          HB3       LYS  28   2.502  -1.656 -12.616
  219   1HG   LYS  28          HG2       LYS  28   2.197  -4.136 -13.275
  220   2HG   LYS  28          HG3       LYS  28   0.919  -4.208 -12.062
  221   1HD   LYS  28          HD2       LYS  28  -0.225  -3.804 -14.099
  222   2HD   LYS  28          HD3       LYS  28  -0.190  -2.234 -13.282
  223   1HE   LYS  28          HE2       LYS  28   1.956  -1.754 -14.676
  224   2HE   LYS  28          HE3       LYS  28   1.549  -3.211 -15.586
  225   1HZ   LYS  28          HZ1       LYS  28   0.695  -1.303 -16.705
  226   2HZ   LYS  28          HZ2       LYS  28  -0.586  -2.161 -16.151
  227   3HZ   LYS  28          HZ3       LYS  28  -0.114  -0.778 -15.390
  228    H    TYR  29           H        TYR  29   4.397  -4.965 -12.137
  229    HA   TYR  29           HA       TYR  29   6.453  -3.449 -13.570
  230   1HB   TYR  29          HB2       TYR  29   8.321  -4.605 -12.635
  231   2HB   TYR  29          HB3       TYR  29   7.468  -3.824 -11.325
  232    HD1  TYR  29           HD1      TYR  29   8.716  -6.965 -12.649
  233    HD2  TYR  29           HD2      TYR  29   5.992  -5.252  -9.771
  234    HE1  TYR  29           HE1      TYR  29   8.712  -9.093 -11.397
  235    HE2  TYR  29           HE2      TYR  29   5.970  -7.387  -8.518
  236    HH   TYR  29           HH       TYR  29   7.906 -10.243  -9.533
  237    H    TYR  30           H        TYR  30   7.508  -4.830 -15.201
  238    HA   TYR  30           HA       TYR  30   5.741  -7.047 -16.060
  239   1HB   TYR  30          HB2       TYR  30   6.408  -5.223 -17.637
  240   2HB   TYR  30          HB3       TYR  30   8.081  -5.748 -17.492
  241    HD1  TYR  30           HD1      TYR  30   4.653  -6.805 -18.546
  242    HD2  TYR  30           HD2      TYR  30   8.877  -7.648 -18.782
  243    HE1  TYR  30           HE1      TYR  30   4.222  -8.367 -20.413
  244    HE2  TYR  30           HE2      TYR  30   8.461  -9.215 -20.651
  245    HH   TYR  30           HH       TYR  30   5.178  -9.787 -22.004
  246    H    ASP  31           H        ASP  31   6.307  -9.111 -15.606
  247    HA   ASP  31           HA       ASP  31   9.032  -9.653 -14.544
  248   1HB   ASP  31          HB2       ASP  31   7.244 -10.250 -13.005
  249   2HB   ASP  31          HB3       ASP  31   6.489 -11.261 -14.242
  250    H    SER  32           H        SER  32  10.059  -9.703 -16.513
  251    HA   SER  32           HA       SER  32   9.394 -11.129 -18.787
  252   1HB   SER  32          HB2       SER  32  12.191 -10.711 -17.681
  253   2HB   SER  32          HB3       SER  32  11.703 -10.833 -19.382
  254    HG   SER  32           HG       SER  32  12.025  -8.658 -18.706
  255    H    SER  33           H        SER  33  10.208 -12.557 -15.691
  256    HA   SER  33           HA       SER  33  11.465 -14.948 -16.602
  257   1HB   SER  33          HB2       SER  33   9.616 -14.806 -14.211
  258   2HB   SER  33          HB3       SER  33  11.061 -15.801 -14.444
  259    HG   SER  33           HG       SER  33  10.750 -13.077 -13.860
  260    H    LYS  34           H        LYS  34   8.083 -13.893 -16.682
  261    HA   LYS  34           HA       LYS  34   7.481 -16.408 -18.155
  262   1HB   LYS  34          HB2       LYS  34   6.485 -16.112 -15.671
  263   2HB   LYS  34          HB3       LYS  34   5.280 -15.159 -16.549
  264   1HG   LYS  34          HG2       LYS  34   4.888 -17.137 -18.057
  265   2HG   LYS  34          HG3       LYS  34   6.065 -18.055 -17.098
  266   1HD   LYS  34          HD2       LYS  34   4.625 -17.691 -15.069
  267   2HD   LYS  34          HD3       LYS  34   3.435 -16.872 -16.109
  268   1HE   LYS  34          HE2       LYS  34   3.233 -18.935 -17.488
  269   2HE   LYS  34          HE3       LYS  34   4.408 -19.747 -16.445
  270   1HZ   LYS  34          HZ1       LYS  34   2.846 -19.487 -14.600
  271   2HZ   LYS  34          HZ2       LYS  34   1.753 -18.756 -15.577
  272   3HZ   LYS  34          HZ3       LYS  34   2.158 -20.314 -15.822
  273    H    GLY  35           H        GLY  35   7.479 -12.962 -18.131
  274   1HA   GLY  35          HA2       GLY  35   7.099 -11.593 -19.933
  275   2HA   GLY  35          HA3       GLY  35   6.477 -12.964 -20.871
  276    H    TYR  36           H        TYR  36   5.530 -11.434 -17.735
  277    HA   TYR  36           HA       TYR  36   2.985 -10.562 -18.835
  278   1HB   TYR  36          HB2       TYR  36   1.612 -11.632 -17.153
  279   2HB   TYR  36          HB3       TYR  36   2.364 -12.795 -18.213
  280    HD1  TYR  36           HD1      TYR  36   1.097 -14.008 -16.212
  281    HD2  TYR  36           HD2      TYR  36   4.945 -12.076 -15.832
  282    HE1  TYR  36           HE1      TYR  36   1.647 -15.459 -14.287
  283    HE2  TYR  36           HE2      TYR  36   5.480 -13.503 -13.927
  284    HH   TYR  36           HH       TYR  36   4.799 -15.258 -12.567
  285    H    TRP  37           H        TRP  37   1.765  -9.233 -17.120
  286    HA   TRP  37           HA       TRP  37   3.748  -7.614 -15.635
  287   1HB   TRP  37          HB2       TRP  37   0.809  -7.273 -16.267
  288   2HB   TRP  37          HB3       TRP  37   1.658  -6.271 -15.103
  289    HD1  TRP  37           HD1      TRP  37   1.310  -6.791 -18.846
  290    HE1  TRP  37           HE1      TRP  37   2.402  -4.853 -20.092
  291    HE3  TRP  37           HE3      TRP  37   3.651  -4.554 -14.905
  292    HZ2  TRP  37           HZ2      TRP  37   4.085  -2.564 -19.443
  293    HZ3  TRP  37           HZ3      TRP  37   4.983  -2.479 -15.232
  294    HH2  TRP  37           HH2      TRP  37   5.193  -1.475 -17.493
  295    H    VAL  38           H        VAL  38   3.627  -7.378 -13.426
  296    HA   VAL  38           HA       VAL  38   1.888  -9.155 -11.841
  297    HB   VAL  38           HB       VAL  38   4.927  -8.868 -11.631
  298   1HG1  VAL  38          1HG1      VAL  38   2.972 -10.315  -9.793
  299   2HG1  VAL  38          2HG1      VAL  38   4.731 -10.578  -9.790
  300   3HG1  VAL  38          3HG1      VAL  38   4.079  -8.998  -9.378
  301   1HG2  VAL  38          1HG2      VAL  38   3.186 -11.265 -12.360
  302   2HG2  VAL  38          2HG2      VAL  38   4.364 -10.443 -13.392
  303   3HG2  VAL  38          3HG2      VAL  38   4.923 -11.356 -11.994
  304    H    GLY  39           H        GLY  39   1.524  -8.155  -9.667
  305   1HA   GLY  39          HA2       GLY  39   2.841  -5.626  -9.094
  306   2HA   GLY  39          HA3       GLY  39   1.169  -5.425  -9.630
  307    H    ILE  40           H        ILE  40   1.803  -4.480  -7.333
  308    HA   ILE  40           HA       ILE  40   0.579  -6.205  -5.241
  309    HB   ILE  40           HB       ILE  40   2.429  -3.790  -4.870
  310   1HG1  ILE  40          2HG1      ILE  40   3.122  -6.704  -4.302
  311   2HG1  ILE  40          3HG1      ILE  40   3.739  -5.765  -5.661
  312   1HG2  ILE  40          1HG2      ILE  40   1.290  -5.725  -2.810
  313   2HG2  ILE  40          2HG2      ILE  40   2.265  -4.279  -2.471
  314   3HG2  ILE  40          3HG2      ILE  40   0.649  -4.101  -3.133
  315   1HD1  ILE  40          1HD1      ILE  40   5.426  -5.784  -3.972
  316   2HD1  ILE  40          2HD1      ILE  40   4.762  -4.141  -4.057
  317   3HD1  ILE  40          3HD1      ILE  40   4.299  -5.232  -2.725
  318    H    TYR  41           H        TYR  41  -1.541  -5.377  -4.971
  319    HA   TYR  41           HA       TYR  41  -2.042  -2.620  -5.999
  320   1HB   TYR  41          HB2       TYR  41  -2.392  -5.096  -7.445
  321   2HB   TYR  41          HB3       TYR  41  -3.981  -4.526  -7.015
  322    HD1  TYR  41           HD1      TYR  41  -4.173  -1.776  -7.321
  323    HD2  TYR  41           HD2      TYR  41  -1.563  -4.397  -9.519
  324    HE1  TYR  41           HE1      TYR  41  -4.303  -0.254  -9.280
  325    HE2  TYR  41           HE2      TYR  41  -1.724  -2.905 -11.498
  326    HH   TYR  41           HH       TYR  41  -3.582   0.168 -11.404
  327    H    GLU  42           H        GLU  42  -3.626  -1.574  -4.863
  328    HA   GLU  42           HA       GLU  42  -5.290  -3.226  -3.040
  329   1HB   GLU  42          HB2       GLU  42  -3.734  -1.224  -2.242
  330   2HB   GLU  42          HB3       GLU  42  -5.048  -0.222  -2.834
  331   1HG   GLU  42          HG2       GLU  42  -6.638  -1.504  -1.373
  332   2HG   GLU  42          HG3       GLU  42  -5.284  -2.469  -0.792
  333    H    VAL  43           H        VAL  43  -5.706  -3.123  -5.960
  334    HA   VAL  43           HA       VAL  43  -8.491  -2.589  -5.768
  335    HB   VAL  43           HB       VAL  43  -7.973  -0.313  -6.307
  336   1HG1  VAL  43          1HG1      VAL  43  -6.988   0.465  -8.385
  337   2HG1  VAL  43          2HG1      VAL  43  -5.841  -0.392  -7.371
  338   3HG1  VAL  43          3HG1      VAL  43  -6.534  -1.195  -8.807
  339   1HG2  VAL  43          1HG2      VAL  43  -9.094  -1.557  -8.827
  340   2HG2  VAL  43          2HG2      VAL  43  -9.995  -1.341  -7.312
  341   3HG2  VAL  43          3HG2      VAL  43  -9.370   0.072  -8.188
  342    H    TRP  44           H        TRP  44  -5.838  -3.298  -8.134
  343    HA   TRP  44           HA       TRP  44  -7.574  -4.357 -10.035
  344   1HB   TRP  44          HB2       TRP  44  -5.228  -3.607 -10.405
  345   2HB   TRP  44          HB3       TRP  44  -4.654  -5.073  -9.618
  346    HD1  TRP  44           HD1      TRP  44  -7.499  -5.119 -12.231
  347    HE1  TRP  44           HE1      TRP  44  -6.766  -6.417 -14.267
  348    HE3  TRP  44           HE3      TRP  44  -2.549  -5.664 -11.059
  349    HZ2  TRP  44           HZ2      TRP  44  -4.299  -7.584 -15.292
  350    HZ3  TRP  44           HZ3      TRP  44  -1.006  -6.812 -12.618
  351    HH2  TRP  44           HH2      TRP  44  -1.871  -7.811 -14.716
  352    H    ASP  45           H        ASP  45  -8.038  -6.502 -10.725
  353    HA   ASP  45           HA       ASP  45  -8.084  -8.538  -8.555
  354   1HB   ASP  45          HB2       ASP  45 -10.067  -6.988  -8.528
  355   2HB   ASP  45          HB3       ASP  45 -10.480  -7.548 -10.149
  356    H    ARG  46           H        ARG  46  -6.456  -8.493 -10.899
  357    HA   ARG  46           HA       ARG  46  -5.702  -9.851 -12.522
  358   1HB   ARG  46          HB2       ARG  46  -6.079 -11.337 -10.367
  359   2HB   ARG  46          HB3       ARG  46  -7.292 -12.147 -11.351
  360   1HG   ARG  46          HG2       ARG  46  -5.548 -12.609 -13.083
  361   2HG   ARG  46          HG3       ARG  46  -4.369 -11.713 -12.106
  362   1HD   ARG  46          HD2       ARG  46  -4.699 -13.359 -10.253
  363   2HD   ARG  46          HD3       ARG  46  -5.771 -14.294 -11.322
  364    HE   ARG  46           HE       ARG  46  -3.266 -13.751 -12.614
  365   1HH1  ARG  46          1HH2      ARG  46  -4.577 -15.812 -10.032
  366   2HH1  ARG  46          2HH2      ARG  46  -3.404 -17.058 -10.238
  367   1HH2  ARG  46          1HH1      ARG  46  -1.750 -15.416 -12.928
  368   2HH2  ARG  46          2HH1      ARG  46  -1.737 -16.813 -11.917
  369    H    LYS  47           H        LYS  47  -7.709  -8.324 -13.518
  370    HA   LYS  47           HA       LYS  47  -8.648 -10.012 -15.723
  371   1HB   LYS  47          HB2       LYS  47 -10.583  -9.838 -14.149
  372   2HB   LYS  47          HB3       LYS  47 -10.474  -8.070 -14.230
  373   1HG   LYS  47          HG2       LYS  47 -10.883  -8.171 -16.690
  374   2HG   LYS  47          HG3       LYS  47 -11.011  -9.931 -16.598
  375   1HD   LYS  47          HD2       LYS  47 -12.839  -7.938 -15.181
  376   2HD   LYS  47          HD3       LYS  47 -13.205  -8.769 -16.700
  377   1HE   LYS  47          HE2       LYS  47 -13.030 -10.968 -15.538
  378   2HE   LYS  47          HE3       LYS  47 -12.725 -10.128 -14.011
  379   1HZ   LYS  47          HZ1       LYS  47 -15.044 -10.739 -14.230
  380   2HZ   LYS  47          HZ2       LYS  47 -14.923  -9.116 -14.205
  381   3HZ   LYS  47          HZ3       LYS  47 -15.206  -9.897 -15.614
  Start of MODEL   11
    1   1H    ALA   1          H1        ALA   1  -6.153  -7.287   2.705
    2   2H    ALA   1          H2        ALA   1  -4.817  -6.491   3.213
    3   3H    ALA   1          H3        ALA   1  -6.219  -6.355   4.048
    4    HA   ALA   1           HA       ALA   1  -7.303  -5.257   2.259
    5   1HB   ALA   1          HB1       ALA   1  -6.096  -3.112   2.268
    6   2HB   ALA   1          HB2       ALA   1  -6.227  -3.802   3.892
    7   3HB   ALA   1          HB3       ALA   1  -4.684  -3.888   3.015
    8    H    ILE   2           H        ILE   2  -3.790  -5.000   1.311
    9    HA   ILE   2           HA       ILE   2  -4.377  -4.762  -1.427
   10    HB   ILE   2           HB       ILE   2  -1.911  -5.583  -1.690
   11   1HG1  ILE   2          2HG1      ILE   2  -0.452  -5.202   0.211
   12   2HG1  ILE   2          3HG1      ILE   2  -1.816  -4.969   1.296
   13   1HG2  ILE   2          1HG2      ILE   2  -1.125  -3.325  -1.058
   14   2HG2  ILE   2          2HG2      ILE   2  -2.627  -3.312  -1.976
   15   3HG2  ILE   2          3HG2      ILE   2  -2.665  -3.035  -0.218
   16   1HD1  ILE   2          1HD1      ILE   2  -2.425  -7.329   1.096
   17   2HD1  ILE   2          2HD1      ILE   2  -1.207  -7.568  -0.186
   18   3HD1  ILE   2          3HD1      ILE   2  -0.705  -7.204   1.477
   19    H    LYS   3           H        LYS   3  -3.893  -6.089  -3.175
   20    HA   LYS   3           HA       LYS   3  -4.193  -9.029  -2.831
   21   1HB   LYS   3          HB2       LYS   3  -5.294  -7.107  -4.942
   22   2HB   LYS   3          HB3       LYS   3  -5.152  -8.841  -5.226
   23   1HG   LYS   3          HG2       LYS   3  -6.692  -9.371  -3.456
   24   2HG   LYS   3          HG3       LYS   3  -6.754  -7.688  -2.903
   25   1HD   LYS   3          HD2       LYS   3  -7.833  -6.954  -4.922
   26   2HD   LYS   3          HD3       LYS   3  -7.617  -8.519  -5.707
   27   1HE   LYS   3          HE2       LYS   3  -9.274  -8.136  -3.171
   28   2HE   LYS   3          HE3       LYS   3  -9.946  -7.983  -4.798
   29   1HZ   LYS   3          HZ1       LYS   3 -10.287 -10.199  -3.970
   30   2HZ   LYS   3          HZ2       LYS   3  -9.274 -10.256  -5.258
   31   3HZ   LYS   3          HZ3       LYS   3  -8.692 -10.441  -3.729
   32    H    LEU   4           H        LEU   4  -3.063 -10.126  -4.684
   33    HA   LEU   4           HA       LEU   4  -0.743  -8.613  -5.775
   34   1HB   LEU   4          HB2       LEU   4  -0.731 -11.458  -4.669
   35   2HB   LEU   4          HB3       LEU   4   0.597 -10.686  -5.531
   36    HG   LEU   4           HG       LEU   4  -0.490  -9.834  -2.809
   37   1HD1  LEU   4          1HD1      LEU   4   0.732 -11.975  -2.765
   38   2HD1  LEU   4          2HD1      LEU   4   2.118 -11.212  -3.577
   39   3HD1  LEU   4          3HD1      LEU   4   1.639 -10.699  -1.943
   40   1HD2  LEU   4          1HD2      LEU   4   1.849  -8.750  -4.439
   41   2HD2  LEU   4          2HD2      LEU   4   0.392  -7.872  -3.921
   42   3HD2  LEU   4          3HD2      LEU   4   1.564  -8.395  -2.717
   43    H    VAL   5           H        VAL   5  -0.546  -8.978  -7.976
   44    HA   VAL   5           HA       VAL   5  -2.497 -10.885  -9.172
   45    HB   VAL   5           HB       VAL   5  -2.197  -7.985 -10.025
   46   1HG1  VAL   5          1HG1      VAL   5  -4.461  -8.507 -11.095
   47   2HG1  VAL   5          2HG1      VAL   5  -3.105  -9.385 -11.794
   48   3HG1  VAL   5          3HG1      VAL   5  -4.205 -10.194 -10.655
   49   1HG2  VAL   5          1HG2      VAL   5  -3.168  -7.879  -7.782
   50   2HG2  VAL   5          2HG2      VAL   5  -4.402  -7.548  -8.984
   51   3HG2  VAL   5          3HG2      VAL   5  -4.351  -9.143  -8.204
   52    H    GLN   6           H        GLN   6  -2.040 -11.517 -11.297
   53    HA   GLN   6           HA       GLN   6   0.469 -10.740 -12.587
   54   1HB   GLN   6          HB2       GLN   6  -0.260 -13.677 -12.115
   55   2HB   GLN   6          HB3       GLN   6   1.134 -13.033 -12.955
   56   1HG   GLN   6          HG2       GLN   6   1.973 -13.803 -10.910
   57   2HG   GLN   6          HG3       GLN   6   1.914 -12.057 -10.751
   58   1HE2  GLN   6          2HE2      GLN   6   1.884 -12.166  -8.415
   59   2HE2  GLN   6          1HE2      GLN   6   0.489 -12.753  -7.546
   60    H    SER   7           H        SER   7  -0.109 -10.474 -14.765
   61    HA   SER   7           HA       SER   7  -1.662 -12.340 -16.206
   62   1HB   SER   7          HB2       SER   7  -3.097  -9.785 -15.383
   63   2HB   SER   7          HB3       SER   7  -3.461 -10.558 -16.932
   64    HG   SER   7           HG       SER   7  -3.396 -12.020 -14.535
   65    HA   PRO   8           HA       PRO   8   0.851 -10.416 -19.204
   66   1HB   PRO   8          HB2       PRO   8  -0.423 -10.855 -21.611
   67   2HB   PRO   8          HB3       PRO   8   0.388 -12.127 -20.652
   68   1HG   PRO   8          HG2       PRO   8  -2.561 -11.422 -20.692
   69   2HG   PRO   8          HG3       PRO   8  -1.806 -13.044 -20.822
   70   1HD   PRO   8          HD2       PRO   8  -2.773 -12.129 -18.464
   71   2HD   PRO   8          HD3       PRO   8  -1.253 -13.069 -18.519
   72    H    ASN   9           H        ASN   9  -2.495  -9.237 -19.062
   73    HA   ASN   9           HA       ASN   9  -1.962  -7.025 -20.860
   74   1HB   ASN   9          HB2       ASN   9  -4.212  -6.372 -20.551
   75   2HB   ASN   9          HB3       ASN   9  -4.166  -8.112 -20.759
   76   1HD2  ASN   9          2HD2      ASN   9  -6.472  -7.574 -19.872
   77   2HD2  ASN   9          1HD2      ASN   9  -6.674  -7.691 -18.134
   78    H    GLY  10           H        GLY  10  -1.502  -7.441 -17.438
   79   1HA   GLY  10          HA2       GLY  10  -1.038  -5.996 -15.723
   80   2HA   GLY  10          HA3       GLY  10  -0.238  -5.009 -16.952
   81    H    ASN  11           H        ASN  11  -3.737  -5.709 -16.689
   82    HA   ASN  11           HA       ASN  11  -4.543  -3.197 -17.520
   83   1HB   ASN  11          HB2       ASN  11  -6.038  -5.079 -17.604
   84   2HB   ASN  11          HB3       ASN  11  -6.004  -5.249 -15.847
   85   1HD2  ASN  11          2HD2      ASN  11  -8.273  -5.010 -15.623
   86   2HD2  ASN  11          1HD2      ASN  11  -9.070  -3.458 -15.871
   87    H    PHE  12           H        PHE  12  -3.769  -1.382 -16.584
   88    HA   PHE  12           HA       PHE  12  -3.603  -1.007 -13.739
   89   1HB   PHE  12          HB2       PHE  12  -1.954   0.056 -15.020
   90   2HB   PHE  12          HB3       PHE  12  -3.102   0.673 -16.195
   91    HD1  PHE  12           HD1      PHE  12  -4.236   2.766 -15.908
   92    HD2  PHE  12           HD2      PHE  12  -1.660   1.230 -12.802
   93    HE1  PHE  12           HE1      PHE  12  -4.216   4.992 -14.821
   94    HE2  PHE  12           HE2      PHE  12  -1.669   3.456 -11.709
   95    HZ   PHE  12           HZ       PHE  12  -2.938   5.343 -12.715
   96    H    ALA  13           H        ALA  13  -5.339  -0.632 -12.485
   97    HA   ALA  13           HA       ALA  13  -7.850   0.338 -13.675
   98   1HB   ALA  13          HB1       ALA  13  -7.222  -0.729 -10.896
   99   2HB   ALA  13          HB2       ALA  13  -8.838  -0.426 -11.560
  100   3HB   ALA  13          HB3       ALA  13  -7.818  -1.692 -12.269
  101    H    ALA  14           H        ALA  14  -5.273   1.814 -12.042
  102    HA   ALA  14           HA       ALA  14  -4.844   3.560 -10.772
  103   1HB   ALA  14          HB1       ALA  14  -6.018   5.638 -11.099
  104   2HB   ALA  14          HB2       ALA  14  -5.808   4.816 -12.656
  105   3HB   ALA  14          HB3       ALA  14  -7.391   4.805 -11.852
  106    H    SER  15           H        SER  15  -8.453   3.253 -10.320
  107    HA   SER  15           HA       SER  15  -8.201   2.569  -7.551
  108   1HB   SER  15          HB2       SER  15  -9.311   4.743  -6.732
  109   2HB   SER  15          HB3       SER  15  -7.588   4.811  -7.100
  110    HG   SER  15           HG       SER  15  -8.707   6.592  -7.979
  111    H    PHE  16           H        PHE  16 -10.379   2.582  -6.457
  112    HA   PHE  16           HA       PHE  16 -12.777   2.730  -8.070
  113   1HB   PHE  16          HB2       PHE  16 -11.718   0.497  -8.717
  114   2HB   PHE  16          HB3       PHE  16 -11.845   0.022  -7.028
  115    HD1  PHE  16           HD1      PHE  16 -14.126   1.535  -9.649
  116    HD2  PHE  16           HD2      PHE  16 -13.554  -1.526  -6.655
  117    HE1  PHE  16           HE1      PHE  16 -16.371   0.612 -10.155
  118    HE2  PHE  16           HE2      PHE  16 -15.791  -2.455  -7.190
  119    HZ   PHE  16           HZ       PHE  16 -17.207  -1.385  -8.929
  120    H    VAL  17           H        VAL  17 -14.641   1.735  -6.541
  121    HA   VAL  17           HA       VAL  17 -13.975   1.898  -3.685
  122    HB   VAL  17           HB       VAL  17 -16.248   3.481  -4.971
  123   1HG1  VAL  17          1HG1      VAL  17 -15.481   3.208  -2.027
  124   2HG1  VAL  17          2HG1      VAL  17 -16.739   4.275  -2.681
  125   3HG1  VAL  17          3HG1      VAL  17 -16.933   2.526  -2.791
  126   1HG2  VAL  17          1HG2      VAL  17 -13.777   4.471  -3.482
  127   2HG2  VAL  17          2HG2      VAL  17 -14.122   4.697  -5.210
  128   3HG2  VAL  17          3HG2      VAL  17 -15.140   5.481  -4.005
  129    H    LEU  18           H        LEU  18 -15.029   0.260  -2.622
  130    HA   LEU  18           HA       LEU  18 -17.276  -1.178  -3.876
  131   1HB   LEU  18          HB2       LEU  18 -15.304  -2.299  -4.830
  132   2HB   LEU  18          HB3       LEU  18 -14.555  -2.396  -3.246
  133    HG   LEU  18           HG       LEU  18 -16.350  -3.948  -2.476
  134   1HD1  LEU  18          1HD1      LEU  18 -17.248  -3.867  -5.394
  135   2HD1  LEU  18          2HD1      LEU  18 -17.815  -5.020  -4.167
  136   3HD1  LEU  18          3HD1      LEU  18 -18.192  -3.306  -3.998
  137   1HD2  LEU  18          1HD2      LEU  18 -15.552  -5.889  -3.742
  138   2HD2  LEU  18          2HD2      LEU  18 -14.884  -4.820  -4.997
  139   3HD2  LEU  18          3HD2      LEU  18 -14.216  -4.796  -3.351
  140    H    ASP  19           H        ASP  19 -18.636  -1.763  -2.280
  141    HA   ASP  19           HA       ASP  19 -19.595  -1.843  -0.256
  142   1HB   ASP  19          HB2       ASP  19 -18.633  -4.072  -0.557
  143   2HB   ASP  19          HB3       ASP  19 -17.176  -3.578   0.310
  144    H    GLY  20           H        GLY  20 -18.582   0.574  -0.399
  145   1HA   GLY  20          HA2       GLY  20 -18.226   2.402   0.908
  146   2HA   GLY  20          HA3       GLY  20 -18.437   1.359   2.322
  147    H    THR  21           H        THR  21 -15.855   0.504   0.104
  148    HA   THR  21           HA       THR  21 -13.795   1.744   1.868
  149    HB   THR  21           HB       THR  21 -13.764  -1.019   0.567
  150    HG1  THR  21           HG1      THR  21 -15.291  -0.955   2.207
  151   1HG2  THR  21          1HG2      THR  21 -11.876  -1.457   2.113
  152   2HG2  THR  21          2HG2      THR  21 -11.510  -0.167   0.967
  153   3HG2  THR  21          3HG2      THR  21 -11.924   0.239   2.648
  154    H    LYS  22           H        LYS  22 -12.125   2.738   0.704
  155    HA   LYS  22           HA       LYS  22 -12.448   2.901  -2.237
  156   1HB   LYS  22          HB2       LYS  22 -12.132   4.967  -0.881
  157   2HB   LYS  22          HB3       LYS  22 -10.539   4.382  -0.373
  158   1HG   LYS  22          HG2       LYS  22  -9.724   4.460  -2.680
  159   2HG   LYS  22          HG3       LYS  22 -11.351   4.830  -3.285
  160   1HD   LYS  22          HD2       LYS  22 -11.321   6.981  -2.059
  161   2HD   LYS  22          HD3       LYS  22  -9.695   6.608  -1.441
  162   1HE   LYS  22          HE2       LYS  22  -8.839   6.503  -3.773
  163   2HE   LYS  22          HE3       LYS  22 -10.457   6.859  -4.390
  164   1HZ   LYS  22          HZ1       LYS  22  -8.844   8.687  -2.701
  165   2HZ   LYS  22          HZ2       LYS  22  -9.085   8.845  -4.304
  166   3HZ   LYS  22          HZ3       LYS  22 -10.338   9.013  -3.278
  167    H    TRP  23           H        TRP  23 -10.732   2.369  -3.643
  168    HA   TRP  23           HA       TRP  23  -8.645   0.495  -2.658
  169   1HB   TRP  23          HB2       TRP  23 -10.789   0.100  -4.800
  170   2HB   TRP  23          HB3       TRP  23  -9.409  -0.936  -4.640
  171    HD1  TRP  23           HD1      TRP  23 -12.631  -0.086  -2.869
  172    HE1  TRP  23           HE1      TRP  23 -13.312  -1.950  -1.274
  173    HE3  TRP  23           HE3      TRP  23  -8.541  -3.116  -3.390
  174    HZ2  TRP  23           HZ2      TRP  23 -12.191  -4.458  -0.312
  175    HZ3  TRP  23           HZ3      TRP  23  -8.374  -5.233  -2.148
  176    HH2  TRP  23           HH2      TRP  23 -10.191  -5.922  -0.599
  177    H    ILE  24           H        ILE  24  -6.715   0.646  -4.023
  178    HA   ILE  24           HA       ILE  24  -6.623   2.681  -6.122
  179    HB   ILE  24           HB       ILE  24  -6.696   3.978  -4.038
  180   1HG1  ILE  24          2HG1      ILE  24  -3.950   4.219  -5.313
  181   2HG1  ILE  24          3HG1      ILE  24  -5.449   4.755  -6.075
  182   1HG2  ILE  24          1HG2      ILE  24  -4.051   2.669  -3.279
  183   2HG2  ILE  24          2HG2      ILE  24  -4.904   3.942  -2.384
  184   3HG2  ILE  24          3HG2      ILE  24  -5.614   2.337  -2.506
  185   1HD1  ILE  24          1HD1      ILE  24  -4.363   6.647  -5.054
  186   2HD1  ILE  24          2HD1      ILE  24  -5.848   6.297  -4.145
  187   3HD1  ILE  24          3HD1      ILE  24  -4.257   5.829  -3.488
  188    H    PHE  25           H        PHE  25  -4.587   2.788  -7.212
  189    HA   PHE  25           HA       PHE  25  -3.069   0.427  -7.529
  190   1HB   PHE  25          HB2       PHE  25  -3.273   2.163  -9.224
  191   2HB   PHE  25          HB3       PHE  25  -2.575   3.361  -8.147
  192    HD1  PHE  25           HD1      PHE  25  -1.388  -0.093  -9.186
  193    HD2  PHE  25           HD2      PHE  25  -0.597   4.146  -9.091
  194    HE1  PHE  25           HE1      PHE  25   0.741  -0.471 -10.352
  195    HE2  PHE  25           HE2      PHE  25   1.570   3.755 -10.224
  196    HZ   PHE  25           HZ       PHE  25   2.246   1.450 -10.876
  197    H    LYS  26           H        LYS  26  -0.889  -0.073  -6.985
  198    HA   LYS  26           HA       LYS  26   0.406   1.603  -4.934
  199   1HB   LYS  26          HB2       LYS  26  -0.773  -0.384  -3.858
  200   2HB   LYS  26          HB3       LYS  26   0.391  -1.418  -4.658
  201   1HG   LYS  26          HG2       LYS  26   1.014   0.756  -2.627
  202   2HG   LYS  26          HG3       LYS  26   0.983  -0.988  -2.339
  203   1HD   LYS  26          HD2       LYS  26   2.829  -1.223  -4.068
  204   2HD   LYS  26          HD3       LYS  26   2.943   0.555  -4.065
  205   1HE   LYS  26          HE2       LYS  26   3.395   0.496  -1.617
  206   2HE   LYS  26          HE3       LYS  26   3.384  -1.273  -1.678
  207   1HZ   LYS  26          HZ1       LYS  26   5.244  -1.133  -3.267
  208   2HZ   LYS  26          HZ2       LYS  26   5.262   0.492  -3.146
  209   3HZ   LYS  26          HZ3       LYS  26   5.632  -0.421  -1.846
  210    H    SER  27           H        SER  27   1.209  -1.488  -6.790
  211    HA   SER  27           HA       SER  27   3.159   0.051  -8.388
  212   1HB   SER  27          HB2       SER  27   3.991  -2.276  -6.589
  213   2HB   SER  27          HB3       SER  27   5.033  -1.411  -7.725
  214    HG   SER  27           HG       SER  27   4.776   0.456  -6.441
  215    H    LYS  28           H        LYS  28   3.808  -1.092 -10.306
  216    HA   LYS  28           HA       LYS  28   3.239  -3.936 -10.433
  217   1HB   LYS  28          HB2       LYS  28   2.172  -3.958 -12.576
  218   2HB   LYS  28          HB3       LYS  28   1.175  -3.074 -11.433
  219   1HG   LYS  28          HG2       LYS  28   1.750  -0.946 -12.459
  220   2HG   LYS  28          HG3       LYS  28   3.011  -1.699 -13.443
  221   1HD   LYS  28          HD2       LYS  28   1.271  -3.092 -14.581
  222   2HD   LYS  28          HD3       LYS  28   0.014  -2.230 -13.677
  223   1HE   LYS  28          HE2       LYS  28   0.532  -0.148 -14.748
  224   2HE   LYS  28          HE3       LYS  28   2.066  -0.761 -15.380
  225   1HZ   LYS  28          HZ1       LYS  28  -0.543  -1.867 -16.254
  226   2HZ   LYS  28          HZ2       LYS  28   0.240  -0.651 -17.040
  227   3HZ   LYS  28          HZ3       LYS  28   0.928  -2.121 -16.917
  228    H    TYR  29           H        TYR  29   4.488  -5.008 -12.089
  229    HA   TYR  29           HA       TYR  29   6.572  -3.489 -13.476
  230   1HB   TYR  29          HB2       TYR  29   8.397  -4.762 -12.529
  231   2HB   TYR  29          HB3       TYR  29   7.577  -3.892 -11.254
  232    HD1  TYR  29           HD1      TYR  29   6.195  -5.124  -9.555
  233    HD2  TYR  29           HD2      TYR  29   8.469  -7.200 -12.581
  234    HE1  TYR  29           HE1      TYR  29   6.050  -7.204  -8.227
  235    HE2  TYR  29           HE2      TYR  29   8.328  -9.287 -11.258
  236    HH   TYR  29           HH       TYR  29   6.679  -9.450  -8.070
  237    H    TYR  30           H        TYR  30   7.573  -4.862 -15.150
  238    HA   TYR  30           HA       TYR  30   5.791  -7.086 -15.963
  239   1HB   TYR  30          HB2       TYR  30   6.406  -5.271 -17.570
  240   2HB   TYR  30          HB3       TYR  30   8.080  -5.816 -17.489
  241    HD1  TYR  30           HD1      TYR  30   8.780  -7.819 -18.693
  242    HD2  TYR  30           HD2      TYR  30   4.606  -6.763 -18.459
  243    HE1  TYR  30           HE1      TYR  30   8.262  -9.475 -20.464
  244    HE2  TYR  30           HE2      TYR  30   4.073  -8.419 -20.216
  245    HH   TYR  30           HH       TYR  30   4.935 -10.014 -21.700
  246    H    ASP  31           H        ASP  31   6.341  -9.111 -15.414
  247    HA   ASP  31           HA       ASP  31   9.054  -9.728 -14.383
  248   1HB   ASP  31          HB2       ASP  31   7.075 -10.503 -13.109
  249   2HB   ASP  31          HB3       ASP  31   6.550 -11.461 -14.495
  250    H    SER  32           H        SER  32  10.237  -9.571 -16.319
  251    HA   SER  32           HA       SER  32   9.426 -10.575 -18.798
  252   1HB   SER  32          HB2       SER  32  12.283 -10.312 -17.790
  253   2HB   SER  32          HB3       SER  32  11.712 -10.193 -19.465
  254    HG   SER  32           HG       SER  32  12.068  -8.136 -18.523
  255    H    SER  33           H        SER  33  10.742 -12.368 -16.041
  256    HA   SER  33           HA       SER  33  11.793 -14.582 -17.566
  257   1HB   SER  33          HB2       SER  33  10.905 -14.514 -14.653
  258   2HB   SER  33          HB3       SER  33  12.018 -15.657 -15.414
  259    HG   SER  33           HG       SER  33  13.096 -13.977 -14.260
  260    H    LYS  34           H        LYS  34   8.691 -13.886 -15.867
  261    HA   LYS  34           HA       LYS  34   7.477 -16.391 -16.852
  262   1HB   LYS  34          HB2       LYS  34   6.334 -13.980 -15.383
  263   2HB   LYS  34          HB3       LYS  34   5.426 -15.443 -15.763
  264   1HG   LYS  34          HG2       LYS  34   7.887 -15.335 -13.960
  265   2HG   LYS  34          HG3       LYS  34   6.210 -15.375 -13.418
  266   1HD   LYS  34          HD2       LYS  34   5.912 -17.594 -14.526
  267   2HD   LYS  34          HD3       LYS  34   7.632 -17.574 -14.983
  268   1HE   LYS  34          HE2       LYS  34   8.270 -17.399 -12.595
  269   2HE   LYS  34          HE3       LYS  34   6.563 -17.423 -12.132
  270   1HZ   LYS  34          HZ1       LYS  34   7.568 -19.605 -11.927
  271   2HZ   LYS  34          HZ2       LYS  34   6.409 -19.657 -13.070
  272   3HZ   LYS  34          HZ3       LYS  34   7.987 -19.635 -13.500
  273    H    GLY  35           H        GLY  35   7.615 -13.000 -17.848
  274   1HA   GLY  35          HA2       GLY  35   7.126 -12.127 -19.916
  275   2HA   GLY  35          HA3       GLY  35   6.440 -13.673 -20.444
  276    H    TYR  36           H        TYR  36   5.599 -11.621 -17.556
  277    HA   TYR  36           HA       TYR  36   3.205 -10.659 -18.839
  278   1HB   TYR  36          HB2       TYR  36   1.630 -11.493 -17.108
  279   2HB   TYR  36          HB3       TYR  36   2.189 -12.670 -18.260
  280    HD1  TYR  36           HD1      TYR  36   1.400 -14.515 -17.020
  281    HD2  TYR  36           HD2      TYR  36   4.183 -11.788 -15.159
  282    HE1  TYR  36           HE1      TYR  36   1.690 -16.090 -15.145
  283    HE2  TYR  36           HE2      TYR  36   4.476 -13.355 -13.293
  284    HH   TYR  36           HH       TYR  36   2.748 -16.497 -13.102
  285    H    TRP  37           H        TRP  37   1.899  -9.233 -17.195
  286    HA   TRP  37           HA       TRP  37   3.823  -7.625 -15.640
  287   1HB   TRP  37          HB2       TRP  37   0.877  -7.367 -16.280
  288   2HB   TRP  37          HB3       TRP  37   1.648  -6.408 -15.038
  289    HD1  TRP  37           HD1      TRP  37   1.371  -6.664 -18.804
  290    HE1  TRP  37           HE1      TRP  37   2.352  -4.570 -19.878
  291    HE3  TRP  37           HE3      TRP  37   3.535  -4.611 -14.662
  292    HZ2  TRP  37           HZ2      TRP  37   3.892  -2.248 -19.030
  293    HZ3  TRP  37           HZ3      TRP  37   4.779  -2.461 -14.823
  294    HH2  TRP  37           HH2      TRP  37   4.949  -1.271 -16.993
  295    H    VAL  38           H        VAL  38   3.637  -7.374 -13.425
  296    HA   VAL  38           HA       VAL  38   1.899  -9.161 -11.864
  297    HB   VAL  38           HB       VAL  38   4.914  -8.789 -11.496
  298   1HG1  VAL  38          1HG1      VAL  38   4.634 -10.541  -9.685
  299   2HG1  VAL  38          2HG1      VAL  38   3.944  -8.966  -9.303
  300   3HG1  VAL  38          3HG1      VAL  38   2.880 -10.292  -9.799
  301   1HG2  VAL  38          1HG2      VAL  38   4.563 -10.360 -13.283
  302   2HG2  VAL  38          2HG2      VAL  38   5.008 -11.282 -11.849
  303   3HG2  VAL  38          3HG2      VAL  38   3.309 -11.220 -12.375
  304    H    GLY  39           H        GLY  39   1.450  -8.113  -9.713
  305   1HA   GLY  39          HA2       GLY  39   2.815  -5.633  -9.118
  306   2HA   GLY  39          HA3       GLY  39   1.167  -5.352  -9.690
  307    H    ILE  40           H        ILE  40   1.935  -4.496  -7.334
  308    HA   ILE  40           HA       ILE  40   0.566  -6.159  -5.279
  309    HB   ILE  40           HB       ILE  40   2.361  -3.700  -4.925
  310   1HG1  ILE  40          2HG1      ILE  40   3.039  -6.588  -4.215
  311   2HG1  ILE  40          3HG1      ILE  40   3.713  -5.690  -5.575
  312   1HG2  ILE  40          1HG2      ILE  40   2.116  -4.096  -2.513
  313   2HG2  ILE  40          2HG2      ILE  40   0.527  -3.939  -3.238
  314   3HG2  ILE  40          3HG2      ILE  40   1.142  -5.551  -2.820
  315   1HD1  ILE  40          1HD1      ILE  40   5.329  -5.646  -3.823
  316   2HD1  ILE  40          2HD1      ILE  40   4.657  -4.010  -3.973
  317   3HD1  ILE  40          3HD1      ILE  40   4.150  -5.074  -2.635
  318    H    TYR  41           H        TYR  41  -1.550  -5.379  -5.021
  319    HA   TYR  41           HA       TYR  41  -2.124  -2.654  -6.076
  320   1HB   TYR  41          HB2       TYR  41  -2.445  -5.130  -7.523
  321   2HB   TYR  41          HB3       TYR  41  -4.040  -4.590  -7.069
  322    HD1  TYR  41           HD1      TYR  41  -4.396  -1.928  -7.375
  323    HD2  TYR  41           HD2      TYR  41  -1.532  -4.296  -9.542
  324    HE1  TYR  41           HE1      TYR  41  -4.509  -0.321  -9.270
  325    HE2  TYR  41           HE2      TYR  41  -1.647  -2.702 -11.444
  326    HH   TYR  41           HH       TYR  41  -3.556   0.330 -11.234
  327    H    GLU  42           H        GLU  42  -3.593  -1.615  -4.829
  328    HA   GLU  42           HA       GLU  42  -5.257  -3.262  -3.000
  329   1HB   GLU  42          HB2       GLU  42  -3.675  -1.303  -2.195
  330   2HB   GLU  42          HB3       GLU  42  -4.955  -0.257  -2.787
  331   1HG   GLU  42          HG2       GLU  42  -6.589  -1.493  -1.326
  332   2HG   GLU  42          HG3       GLU  42  -5.263  -2.490  -0.735
  333    H    VAL  43           H        VAL  43  -5.770  -3.213  -5.854
  334    HA   VAL  43           HA       VAL  43  -8.528  -2.662  -5.631
  335    HB   VAL  43           HB       VAL  43  -8.045  -0.376  -6.189
  336   1HG1  VAL  43          1HG1      VAL  43  -7.130   0.401  -8.297
  337   2HG1  VAL  43          2HG1      VAL  43  -5.945  -0.436  -7.308
  338   3HG1  VAL  43          3HG1      VAL  43  -6.671  -1.257  -8.719
  339   1HG2  VAL  43          1HG2      VAL  43 -10.081  -1.440  -7.137
  340   2HG2  VAL  43          2HG2      VAL  43  -9.492  -0.032  -8.047
  341   3HG2  VAL  43          3HG2      VAL  43  -9.210  -1.667  -8.667
  342    H    TRP  44           H        TRP  44  -5.927  -3.305  -8.083
  343    HA   TRP  44           HA       TRP  44  -7.681  -4.691  -9.813
  344   1HB   TRP  44          HB2       TRP  44  -5.428  -3.655 -10.350
  345   2HB   TRP  44          HB3       TRP  44  -4.677  -5.039  -9.557
  346    HD1  TRP  44           HD1      TRP  44  -7.627  -5.319 -12.040
  347    HE1  TRP  44           HE1      TRP  44  -6.894  -6.605 -14.084
  348    HE3  TRP  44           HE3      TRP  44  -2.617  -5.636 -11.018
  349    HZ2  TRP  44           HZ2      TRP  44  -4.432  -7.765 -15.125
  350    HZ3  TRP  44           HZ3      TRP  44  -1.088  -6.794 -12.584
  351    HH2  TRP  44           HH2      TRP  44  -1.985  -7.885 -14.630
  352    H    ASP  45           H        ASP  45  -7.526  -7.047 -10.374
  353    HA   ASP  45           HA       ASP  45  -7.024  -8.836  -8.052
  354   1HB   ASP  45          HB2       ASP  45  -9.327  -8.095  -7.746
  355   2HB   ASP  45          HB3       ASP  45  -9.719  -8.496  -9.420
  356    H    ARG  46           H        ARG  46  -8.209  -8.670 -11.480
  357    HA   ARG  46           HA       ARG  46  -6.042 -10.264 -12.317
  358   1HB   ARG  46          HB2       ARG  46  -7.803 -12.032 -11.298
  359   2HB   ARG  46          HB3       ARG  46  -8.648 -11.769 -12.796
  360   1HG   ARG  46          HG2       ARG  46  -7.178 -13.744 -12.848
  361   2HG   ARG  46          HG3       ARG  46  -6.733 -12.574 -14.085
  362   1HD   ARG  46          HD2       ARG  46  -4.807 -13.670 -12.883
  363   2HD   ARG  46          HD3       ARG  46  -4.772 -11.904 -12.897
  364    HE   ARG  46           HE       ARG  46  -5.964 -12.242 -10.558
  365   1HH1  ARG  46          1HH1      ARG  46  -2.989 -13.659 -11.877
  366   2HH1  ARG  46          2HH1      ARG  46  -2.227 -13.835 -10.319
  367   1HH2  ARG  46          1HH2      ARG  46  -4.999 -12.484  -8.540
  368   2HH2  ARG  46          2HH2      ARG  46  -3.412 -13.142  -8.372
  369    H    LYS  47           H        LYS  47  -9.391  -9.306 -13.144
  370    HA   LYS  47           HA       LYS  47  -9.304  -9.691 -15.872
  371   1HB   LYS  47          HB2       LYS  47 -11.333  -9.178 -14.531
  372   2HB   LYS  47          HB3       LYS  47 -10.805  -7.491 -14.385
  373   1HG   LYS  47          HG2       LYS  47 -10.942  -7.228 -16.846
  374   2HG   LYS  47          HG3       LYS  47 -11.408  -8.934 -17.009
  375   1HD   LYS  47          HD2       LYS  47 -13.455  -8.494 -15.669
  376   2HD   LYS  47          HD3       LYS  47 -12.981  -6.787 -15.513
  377   1HE   LYS  47          HE2       LYS  47 -13.044  -6.546 -17.985
  378   2HE   LYS  47          HE3       LYS  47 -13.509  -8.245 -18.144
  379   1HZ   LYS  47          HZ1       LYS  47 -15.426  -6.791 -18.263
  380   2HZ   LYS  47          HZ2       LYS  47 -15.552  -7.728 -16.938
  381   3HZ   LYS  47          HZ3       LYS  47 -15.122  -6.156 -16.794
  Start of MODEL   12
    1   1H    ALA   1          H1        ALA   1  -6.369  -2.787   1.932
    2   2H    ALA   1          H2        ALA   1  -7.726  -3.688   1.739
    3   3H    ALA   1          H3        ALA   1  -7.141  -3.402   3.252
    4    HA   ALA   1           HA       ALA   1  -5.159  -4.639   2.786
    5   1HB   ALA   1          HB1       ALA   1  -6.134  -6.905   2.652
    6   2HB   ALA   1          HB2       ALA   1  -7.024  -5.882   3.794
    7   3HB   ALA   1          HB3       ALA   1  -7.702  -6.218   2.183
    8    H    ILE   2           H        ILE   2  -3.668  -4.798   1.215
    9    HA   ILE   2           HA       ILE   2  -4.216  -4.594  -1.578
   10    HB   ILE   2           HB       ILE   2  -1.824  -5.474  -1.792
   11   1HG1  ILE   2          2HG1      ILE   2  -1.715  -5.106   1.230
   12   2HG1  ILE   2          3HG1      ILE   2  -1.853  -6.686   0.451
   13   1HG2  ILE   2          1HG2      ILE   2  -2.396  -2.975  -0.154
   14   2HG2  ILE   2          2HG2      ILE   2  -0.869  -3.316  -0.995
   15   3HG2  ILE   2          3HG2      ILE   2  -2.344  -3.141  -1.926
   16   1HD1  ILE   2          1HD1      ILE   2   0.461  -4.738   0.092
   17   2HD1  ILE   2          2HD1      ILE   2   0.461  -6.240   1.024
   18   3HD1  ILE   2          3HD1      ILE   2   0.281  -6.304  -0.738
   19    H    LYS   3           H        LYS   3  -3.738  -6.110  -3.199
   20    HA   LYS   3           HA       LYS   3  -4.030  -9.003  -2.612
   21   1HB   LYS   3          HB2       LYS   3  -5.261  -7.340  -4.875
   22   2HB   LYS   3          HB3       LYS   3  -5.163  -9.102  -4.893
   23   1HG   LYS   3          HG2       LYS   3  -6.569  -9.261  -2.896
   24   2HG   LYS   3          HG3       LYS   3  -6.649  -7.494  -2.768
   25   1HD   LYS   3          HD2       LYS   3  -7.823  -7.330  -4.902
   26   2HD   LYS   3          HD3       LYS   3  -7.660  -9.080  -5.170
   27   1HE   LYS   3          HE2       LYS   3  -9.011  -9.555  -3.178
   28   2HE   LYS   3          HE3       LYS   3  -9.132  -7.831  -2.803
   29   1HZ   LYS   3          HZ1       LYS   3 -10.202  -9.072  -5.282
   30   2HZ   LYS   3          HZ2       LYS   3 -11.097  -8.733  -3.949
   31   3HZ   LYS   3          HZ3       LYS   3 -10.416  -7.516  -4.797
   32    H    LEU   4           H        LEU   4  -3.002 -10.207  -4.492
   33    HA   LEU   4           HA       LEU   4  -0.732  -8.719  -5.737
   34   1HB   LEU   4          HB2       LEU   4  -0.737 -11.583  -4.686
   35   2HB   LEU   4          HB3       LEU   4   0.565 -10.820  -5.593
   36    HG   LEU   4           HG       LEU   4  -0.381 -10.013  -2.805
   37   1HD1  LEU   4          1HD1      LEU   4   1.780 -10.905  -2.061
   38   2HD1  LEU   4          2HD1      LEU   4   0.831 -12.160  -2.872
   39   3HD1  LEU   4          3HD1      LEU   4   2.181 -11.380  -3.728
   40   1HD2  LEU   4          1HD2      LEU   4   0.456  -8.031  -3.929
   41   2HD2  LEU   4          2HD2      LEU   4   1.676  -8.580  -2.783
   42   3HD2  LEU   4          3HD2      LEU   4   1.883  -8.909  -4.521
   43    H    VAL   5           H        VAL   5  -0.545  -9.139  -7.939
   44    HA   VAL   5           HA       VAL   5  -2.540 -10.979  -9.146
   45    HB   VAL   5           HB       VAL   5  -2.295  -8.066 -10.002
   46   1HG1  VAL   5          1HG1      VAL   5  -3.305  -9.549 -11.660
   47   2HG1  VAL   5          2HG1      VAL   5  -4.393 -10.242 -10.429
   48   3HG1  VAL   5          3HG1      VAL   5  -4.574  -8.560 -10.954
   49   1HG2  VAL   5          1HG2      VAL   5  -4.373  -9.136  -8.045
   50   2HG2  VAL   5          2HG2      VAL   5  -3.144  -7.888  -7.711
   51   3HG2  VAL   5          3HG2      VAL   5  -4.426  -7.561  -8.862
   52    H    GLN   6           H        GLN   6  -2.014 -11.570 -11.315
   53    HA   GLN   6           HA       GLN   6   0.179 -10.300 -12.674
   54   1HB   GLN   6          HB2       GLN   6   1.388 -12.451 -13.097
   55   2HB   GLN   6          HB3       GLN   6   1.564 -11.824 -11.471
   56   1HG   GLN   6          HG2       GLN   6  -0.381 -14.067 -12.163
   57   2HG   GLN   6          HG3       GLN   6   1.289 -14.333 -11.699
   58   1HE2  GLN   6          2HE2      GLN   6   2.000 -13.316  -9.528
   59   2HE2  GLN   6          1HE2      GLN   6   0.834 -13.385  -8.233
   60    H    SER   7           H        SER   7  -0.143 -10.422 -14.858
   61    HA   SER   7           HA       SER   7  -1.461 -12.502 -16.257
   62   1HB   SER   7          HB2       SER   7  -3.075  -9.951 -15.769
   63   2HB   SER   7          HB3       SER   7  -3.380 -11.025 -17.136
   64    HG   SER   7           HG       SER   7  -3.267 -12.064 -14.538
   65    HA   PRO   8           HA       PRO   8   0.968 -10.304 -19.246
   66   1HB   PRO   8          HB2       PRO   8  -0.145 -10.955 -21.676
   67   2HB   PRO   8          HB3       PRO   8   0.799 -12.093 -20.667
   68   1HG   PRO   8          HG2       PRO   8  -2.217 -11.798 -20.816
   69   2HG   PRO   8          HG3       PRO   8  -1.246 -13.304 -20.900
   70   1HD   PRO   8          HD2       PRO   8  -2.412 -12.497 -18.586
   71   2HD   PRO   8          HD3       PRO   8  -0.786 -13.240 -18.579
   72    H    ASN   9           H        ASN   9  -2.526  -9.665 -19.207
   73    HA   ASN   9           HA       ASN   9  -2.448  -7.410 -20.967
   74   1HB   ASN   9          HB2       ASN   9  -4.499  -8.769 -20.286
   75   2HB   ASN   9          HB3       ASN   9  -4.474  -7.904 -18.746
   76   1HD2  ASN   9          2HD2      ASN   9  -4.808  -7.510 -22.301
   77   2HD2  ASN   9          1HD2      ASN   9  -5.630  -5.975 -22.221
   78    H    GLY  10           H        GLY  10  -1.733  -7.742 -17.512
   79   1HA   GLY  10          HA2       GLY  10  -1.161  -6.239 -15.877
   80   2HA   GLY  10          HA3       GLY  10  -0.452  -5.289 -17.195
   81    H    ASN  11           H        ASN  11  -3.889  -6.054 -16.439
   82    HA   ASN  11           HA       ASN  11  -4.735  -3.679 -17.639
   83   1HB   ASN  11          HB2       ASN  11  -6.050  -5.856 -17.302
   84   2HB   ASN  11          HB3       ASN  11  -6.435  -5.268 -15.688
   85   1HD2  ASN  11          2HD2      ASN  11  -6.671  -4.553 -19.165
   86   2HD2  ASN  11          1HD2      ASN  11  -8.034  -3.448 -19.047
   87    H    PHE  12           H        PHE  12  -4.017  -1.749 -16.840
   88    HA   PHE  12           HA       PHE  12  -3.834  -1.129 -14.060
   89   1HB   PHE  12          HB2       PHE  12  -2.418  -0.084 -15.741
   90   2HB   PHE  12          HB3       PHE  12  -3.809   0.600 -16.561
   91    HD1  PHE  12           HD1      PHE  12  -4.614   2.754 -15.976
   92    HD2  PHE  12           HD2      PHE  12  -1.887   0.713 -13.324
   93    HE1  PHE  12           HE1      PHE  12  -4.329   4.835 -14.661
   94    HE2  PHE  12           HE2      PHE  12  -1.633   2.792 -11.994
   95    HZ   PHE  12           HZ       PHE  12  -2.848   4.857 -12.661
   96    H    ALA  13           H        ALA  13  -5.489  -0.695 -12.709
   97    HA   ALA  13           HA       ALA  13  -8.107   0.178 -13.810
   98   1HB   ALA  13          HB1       ALA  13  -8.014  -1.914 -12.503
   99   2HB   ALA  13          HB2       ALA  13  -7.375  -1.013 -11.109
  100   3HB   ALA  13          HB3       ALA  13  -9.013  -0.684 -11.704
  101    H    ALA  14           H        ALA  14  -5.470   1.641 -12.313
  102    HA   ALA  14           HA       ALA  14  -4.985   3.352 -11.013
  103   1HB   ALA  14          HB1       ALA  14  -7.571   4.589 -12.014
  104   2HB   ALA  14          HB2       ALA  14  -6.187   5.434 -11.293
  105   3HB   ALA  14          HB3       ALA  14  -6.010   4.612 -12.855
  106    H    SER  15           H        SER  15  -8.572   3.195 -10.426
  107    HA   SER  15           HA       SER  15  -8.261   2.516  -7.660
  108   1HB   SER  15          HB2       SER  15  -9.255   4.749  -6.845
  109   2HB   SER  15          HB3       SER  15  -7.542   4.739  -7.267
  110    HG   SER  15           HG       SER  15  -8.626   6.551  -8.138
  111    H    PHE  16           H        PHE  16 -10.399   2.588  -6.516
  112    HA   PHE  16           HA       PHE  16 -12.834   2.773  -8.072
  113   1HB   PHE  16          HB2       PHE  16 -11.801   0.533  -8.746
  114   2HB   PHE  16          HB3       PHE  16 -11.912   0.050  -7.059
  115    HD1  PHE  16           HD1      PHE  16 -14.218   1.626  -9.621
  116    HD2  PHE  16           HD2      PHE  16 -13.625  -1.502  -6.702
  117    HE1  PHE  16           HE1      PHE  16 -16.476   0.730 -10.115
  118    HE2  PHE  16           HE2      PHE  16 -15.875  -2.405  -7.226
  119    HZ   PHE  16           HZ       PHE  16 -17.309  -1.288  -8.921
  120    H    VAL  17           H        VAL  17 -14.675   1.792  -6.511
  121    HA   VAL  17           HA       VAL  17 -13.960   1.959  -3.667
  122    HB   VAL  17           HB       VAL  17 -16.234   3.568  -4.916
  123   1HG1  VAL  17          1HG1      VAL  17 -16.662   4.386  -2.628
  124   2HG1  VAL  17          2HG1      VAL  17 -16.866   2.636  -2.704
  125   3HG1  VAL  17          3HG1      VAL  17 -15.391   3.324  -1.990
  126   1HG2  VAL  17          1HG2      VAL  17 -15.063   5.558  -3.984
  127   2HG2  VAL  17          2HG2      VAL  17 -13.700   4.522  -3.508
  128   3HG2  VAL  17          3HG2      VAL  17 -14.102   4.754  -5.224
  129    H    LEU  18           H        LEU  18 -15.020   0.333  -2.582
  130    HA   LEU  18           HA       LEU  18 -17.324  -1.058  -3.761
  131   1HB   LEU  18          HB2       LEU  18 -15.431  -2.181  -4.866
  132   2HB   LEU  18          HB3       LEU  18 -14.592  -2.342  -3.334
  133    HG   LEU  18           HG       LEU  18 -16.389  -3.882  -2.511
  134   1HD1  LEU  18          1HD1      LEU  18 -17.384  -3.728  -5.395
  135   2HD1  LEU  18          2HD1      LEU  18 -17.930  -4.891  -4.168
  136   3HD1  LEU  18          3HD1      LEU  18 -18.270  -3.172  -3.961
  137   1HD2  LEU  18          1HD2      LEU  18 -15.016  -4.707  -5.100
  138   2HD2  LEU  18          2HD2      LEU  18 -14.300  -4.736  -3.475
  139   3HD2  LEU  18          3HD2      LEU  18 -15.660  -5.801  -3.854
  140    H    ASP  19           H        ASP  19 -18.576  -1.754  -2.120
  141    HA   ASP  19           HA       ASP  19 -19.441  -1.864  -0.061
  142   1HB   ASP  19          HB2       ASP  19 -18.462  -4.076  -0.415
  143   2HB   ASP  19          HB3       ASP  19 -16.979  -3.568   0.396
  144    H    GLY  20           H        GLY  20 -18.497   0.566  -0.222
  145   1HA   GLY  20          HA2       GLY  20 -18.096   2.395   1.068
  146   2HA   GLY  20          HA3       GLY  20 -18.262   1.346   2.485
  147    H    THR  21           H        THR  21 -15.740   0.562   0.164
  148    HA   THR  21           HA       THR  21 -13.633   1.771   1.892
  149    HB   THR  21           HB       THR  21 -13.653  -0.987   0.580
  150    HG1  THR  21           HG1      THR  21 -15.117  -0.932   2.268
  151   1HG2  THR  21          1HG2      THR  21 -11.730   0.260   2.592
  152   2HG2  THR  21          2HG2      THR  21 -11.713  -1.438   2.058
  153   3HG2  THR  21          3HG2      THR  21 -11.381  -0.153   0.896
  154    H    LYS  22           H        LYS  22 -11.908   2.662   0.691
  155    HA   LYS  22           HA       LYS  22 -12.350   2.919  -2.234
  156   1HB   LYS  22          HB2       LYS  22 -12.005   4.956  -0.858
  157   2HB   LYS  22          HB3       LYS  22 -10.401   4.373  -0.392
  158   1HG   LYS  22          HG2       LYS  22  -9.627   4.470  -2.703
  159   2HG   LYS  22          HG3       LYS  22 -11.249   4.850  -3.290
  160   1HD   LYS  22          HD2       LYS  22  -9.603   6.629  -1.439
  161   2HD   LYS  22          HD3       LYS  22  -9.683   6.794  -3.200
  162   1HE   LYS  22          HE2       LYS  22 -12.148   7.140  -3.058
  163   2HE   LYS  22          HE3       LYS  22 -12.056   7.037  -1.295
  164   1HZ   LYS  22          HZ1       LYS  22 -12.055   9.325  -2.040
  165   2HZ   LYS  22          HZ2       LYS  22 -10.630   9.002  -1.321
  166   3HZ   LYS  22          HZ3       LYS  22 -10.725   9.102  -2.950
  167    H    TRP  23           H        TRP  23 -10.681   2.412  -3.699
  168    HA   TRP  23           HA       TRP  23  -8.630   0.449  -2.815
  169   1HB   TRP  23          HB2       TRP  23 -10.828   0.205  -4.922
  170   2HB   TRP  23          HB3       TRP  23  -9.509  -0.911  -4.797
  171    HD1  TRP  23           HD1      TRP  23 -12.670   0.111  -3.011
  172    HE1  TRP  23           HE1      TRP  23 -13.436  -1.688  -1.379
  173    HE3  TRP  23           HE3      TRP  23  -8.716  -3.101  -3.474
  174    HZ2  TRP  23           HZ2      TRP  23 -12.416  -4.219  -0.356
  175    HZ3  TRP  23           HZ3      TRP  23  -8.634  -5.192  -2.172
  176    HH2  TRP  23           HH2      TRP  23 -10.479  -5.769  -0.608
  177    H    ILE  24           H        ILE  24  -6.716   0.588  -4.186
  178    HA   ILE  24           HA       ILE  24  -6.597   2.559  -6.326
  179    HB   ILE  24           HB       ILE  24  -6.706   3.949  -4.310
  180   1HG1  ILE  24          2HG1      ILE  24  -3.924   4.156  -5.507
  181   2HG1  ILE  24          3HG1      ILE  24  -5.399   4.619  -6.359
  182   1HG2  ILE  24          1HG2      ILE  24  -4.082   2.676  -3.431
  183   2HG2  ILE  24          2HG2      ILE  24  -4.949   3.992  -2.617
  184   3HG2  ILE  24          3HG2      ILE  24  -5.662   2.385  -2.678
  185   1HD1  ILE  24          1HD1      ILE  24  -4.345   5.857  -3.785
  186   2HD1  ILE  24          2HD1      ILE  24  -4.391   6.586  -5.395
  187   3HD1  ILE  24          3HD1      ILE  24  -5.909   6.256  -4.539
  188    H    PHE  25           H        PHE  25  -4.543   2.643  -7.384
  189    HA   PHE  25           HA       PHE  25  -2.938   0.338  -7.624
  190   1HB   PHE  25          HB2       PHE  25  -3.084   2.070  -9.320
  191   2HB   PHE  25          HB3       PHE  25  -2.497   3.289  -8.205
  192    HD1  PHE  25           HD1      PHE  25  -0.127   3.589  -7.747
  193    HD2  PHE  25           HD2      PHE  25  -1.490   0.421 -10.336
  194    HE1  PHE  25           HE1      PHE  25   2.185   3.266  -8.581
  195    HE2  PHE  25           HE2      PHE  25   0.812   0.134 -11.192
  196    HZ   PHE  25           HZ       PHE  25   2.662   1.542 -10.311
  197    H    LYS  26           H        LYS  26  -0.738  -0.086  -6.991
  198    HA   LYS  26           HA       LYS  26   0.447   1.712  -5.019
  199   1HB   LYS  26          HB2       LYS  26  -0.766   0.100  -3.632
  200   2HB   LYS  26          HB3       LYS  26   0.125  -1.239  -4.327
  201   1HG   LYS  26          HG2       LYS  26   1.703   1.041  -3.136
  202   2HG   LYS  26          HG3       LYS  26   0.808  -0.006  -2.030
  203   1HD   LYS  26          HD2       LYS  26   2.008  -1.966  -2.698
  204   2HD   LYS  26          HD3       LYS  26   2.697  -1.161  -4.098
  205   1HE   LYS  26          HE2       LYS  26   4.420  -1.341  -2.441
  206   2HE   LYS  26          HE3       LYS  26   3.994   0.358  -2.636
  207   1HZ   LYS  26          HZ1       LYS  26   2.698   0.200  -0.584
  208   2HZ   LYS  26          HZ2       LYS  26   3.072  -1.388  -0.418
  209   3HZ   LYS  26          HZ3       LYS  26   4.235  -0.255  -0.313
  210    H    SER  27           H        SER  27   1.107  -1.493  -6.704
  211    HA   SER  27           HA       SER  27   3.316  -0.154  -8.130
  212   1HB   SER  27          HB2       SER  27   3.721  -2.653  -6.418
  213   2HB   SER  27          HB3       SER  27   4.900  -1.970  -7.543
  214    HG   SER  27           HG       SER  27   5.381  -1.294  -5.472
  215    H    LYS  28           H        LYS  28   3.905  -1.259 -10.067
  216    HA   LYS  28           HA       LYS  28   2.833  -3.911 -10.629
  217   1HB   LYS  28          HB2       LYS  28   1.094  -2.100 -11.352
  218   2HB   LYS  28          HB3       LYS  28   2.261  -1.676 -12.610
  219   1HG   LYS  28          HG2       LYS  28   2.111  -4.161 -13.329
  220   2HG   LYS  28          HG3       LYS  28   0.816  -4.322 -12.144
  221   1HD   LYS  28          HD2       LYS  28  -0.316  -3.943 -14.181
  222   2HD   LYS  28          HD3       LYS  28  -0.361  -2.376 -13.359
  223   1HE   LYS  28          HE2       LYS  28   1.758  -1.770 -14.715
  224   2HE   LYS  28          HE3       LYS  28   1.485  -3.261 -15.620
  225   1HZ   LYS  28          HZ1       LYS  28  -0.713  -2.365 -16.252
  226   2HZ   LYS  28          HZ2       LYS  28  -0.343  -0.946 -15.505
  227   3HZ   LYS  28          HZ3       LYS  28   0.525  -1.441 -16.792
  228    H    TYR  29           H        TYR  29   4.268  -4.968 -12.123
  229    HA   TYR  29           HA       TYR  29   6.355  -3.427 -13.494
  230   1HB   TYR  29          HB2       TYR  29   8.193  -4.567 -12.469
  231   2HB   TYR  29          HB3       TYR  29   7.277  -3.776 -11.208
  232    HD1  TYR  29           HD1      TYR  29   5.751  -5.189  -9.697
  233    HD2  TYR  29           HD2      TYR  29   8.592  -6.931 -12.442
  234    HE1  TYR  29           HE1      TYR  29   5.689  -7.306  -8.413
  235    HE2  TYR  29           HE2      TYR  29   8.551  -9.039 -11.156
  236    HH   TYR  29           HH       TYR  29   7.688 -10.161  -9.302
  237    H    TYR  30           H        TYR  30   7.524  -4.819 -15.050
  238    HA   TYR  30           HA       TYR  30   5.817  -7.067 -15.970
  239   1HB   TYR  30          HB2       TYR  30   6.415  -5.207 -17.525
  240   2HB   TYR  30          HB3       TYR  30   8.109  -5.654 -17.370
  241    HD1  TYR  30           HD1      TYR  30   9.008  -7.483 -18.676
  242    HD2  TYR  30           HD2      TYR  30   4.743  -6.858 -18.473
  243    HE1  TYR  30           HE1      TYR  30   8.697  -9.044 -20.565
  244    HE2  TYR  30           HE2      TYR  30   4.417  -8.430 -20.360
  245    HH   TYR  30           HH       TYR  30   7.171 -10.001 -22.056
  246    H    ASP  31           H        ASP  31   6.451  -9.111 -15.528
  247    HA   ASP  31           HA       ASP  31   9.181  -9.565 -14.427
  248   1HB   ASP  31          HB2       ASP  31   7.423 -10.304 -12.939
  249   2HB   ASP  31          HB3       ASP  31   6.684 -11.262 -14.232
  250    H    SER  32           H        SER  32  10.240  -9.501 -16.409
  251    HA   SER  32           HA       SER  32   9.656 -10.903 -18.718
  252   1HB   SER  32          HB2       SER  32  12.428 -10.400 -17.580
  253   2HB   SER  32          HB3       SER  32  11.958 -10.497 -19.289
  254    HG   SER  32           HG       SER  32  12.190  -8.331 -18.552
  255    H    SER  33           H        SER  33  10.570 -12.357 -15.650
  256    HA   SER  33           HA       SER  33  11.885 -14.689 -16.641
  257   1HB   SER  33          HB2       SER  33  10.111 -14.709 -14.199
  258   2HB   SER  33          HB3       SER  33  11.638 -15.556 -14.483
  259    HG   SER  33           HG       SER  33  11.074 -12.890 -13.826
  260    H    LYS  34           H        LYS  34   8.486 -13.731 -16.546
  261    HA   LYS  34           HA       LYS  34   7.736 -16.335 -17.829
  262   1HB   LYS  34          HB2       LYS  34   6.114 -14.624 -15.916
  263   2HB   LYS  34          HB3       LYS  34   5.481 -16.020 -16.776
  264   1HG   LYS  34          HG2       LYS  34   7.698 -16.097 -14.682
  265   2HG   LYS  34          HG3       LYS  34   6.002 -16.499 -14.424
  266   1HD   LYS  34          HD2       LYS  34   6.199 -18.363 -16.097
  267   2HD   LYS  34          HD3       LYS  34   7.911 -17.972 -16.289
  268   1HE   LYS  34          HE2       LYS  34   7.804 -19.815 -14.796
  269   2HE   LYS  34          HE3       LYS  34   8.274 -18.400 -13.852
  270   1HZ   LYS  34          HZ1       LYS  34   5.546 -19.566 -13.960
  271   2HZ   LYS  34          HZ2       LYS  34   6.594 -19.722 -12.727
  272   3HZ   LYS  34          HZ3       LYS  34   5.968 -18.258 -13.068
  273    H    GLY  35           H        GLY  35   7.769 -12.856 -18.044
  274   1HA   GLY  35          HA2       GLY  35   7.339 -11.583 -19.897
  275   2HA   GLY  35          HA3       GLY  35   6.759 -13.010 -20.774
  276    H    TYR  36           H        TYR  36   5.734 -11.419 -17.678
  277    HA   TYR  36           HA       TYR  36   3.237 -10.570 -18.879
  278   1HB   TYR  36          HB2       TYR  36   1.769 -11.621 -17.291
  279   2HB   TYR  36          HB3       TYR  36   2.581 -12.801 -18.284
  280    HD1  TYR  36           HD1      TYR  36   1.260 -14.106 -16.469
  281    HD2  TYR  36           HD2      TYR  36   4.907 -11.944 -15.640
  282    HE1  TYR  36           HE1      TYR  36   1.635 -15.493 -14.458
  283    HE2  TYR  36           HE2      TYR  36   5.261 -13.291 -13.633
  284    HH   TYR  36           HH       TYR  36   4.471 -15.028 -12.295
  285    H    TRP  37           H        TRP  37   1.911  -9.272 -17.169
  286    HA   TRP  37           HA       TRP  37   3.814  -7.618 -15.622
  287   1HB   TRP  37          HB2       TRP  37   0.870  -7.366 -16.278
  288   2HB   TRP  37          HB3       TRP  37   1.684  -6.342 -15.108
  289    HD1  TRP  37           HD1      TRP  37   1.342  -6.851 -18.849
  290    HE1  TRP  37           HE1      TRP  37   2.389  -4.889 -20.095
  291    HE3  TRP  37           HE3      TRP  37   3.637  -4.565 -14.912
  292    HZ2  TRP  37           HZ2      TRP  37   4.019  -2.561 -19.446
  293    HZ3  TRP  37           HZ3      TRP  37   4.912  -2.455 -15.233
  294    HH2  TRP  37           HH2      TRP  37   5.110  -1.451 -17.497
  295    H    VAL  38           H        VAL  38   3.566  -7.356 -13.409
  296    HA   VAL  38           HA       VAL  38   1.875  -9.201 -11.857
  297    HB   VAL  38           HB       VAL  38   4.855  -8.722 -11.386
  298   1HG1  VAL  38          1HG1      VAL  38   3.699  -9.187  -9.291
  299   2HG1  VAL  38          2HG1      VAL  38   2.862 -10.580 -10.005
  300   3HG1  VAL  38          3HG1      VAL  38   4.617 -10.615  -9.748
  301   1HG2  VAL  38          1HG2      VAL  38   3.518 -11.195 -12.551
  302   2HG2  VAL  38          2HG2      VAL  38   4.717 -10.152 -13.334
  303   3HG2  VAL  38          3HG2      VAL  38   5.188 -11.133 -11.950
  304    H    GLY  39           H        GLY  39   1.483  -8.177  -9.653
  305   1HA   GLY  39          HA2       GLY  39   2.724  -5.605  -9.131
  306   2HA   GLY  39          HA3       GLY  39   1.040  -5.456  -9.643
  307    H    ILE  40           H        ILE  40   1.631  -4.458  -7.366
  308    HA   ILE  40           HA       ILE  40   0.492  -6.221  -5.269
  309    HB   ILE  40           HB       ILE  40   2.415  -3.883  -4.823
  310   1HG1  ILE  40          2HG1      ILE  40   3.070  -6.841  -4.497
  311   2HG1  ILE  40          3HG1      ILE  40   3.670  -5.803  -5.790
  312   1HG2  ILE  40          1HG2      ILE  40   0.679  -4.294  -3.062
  313   2HG2  ILE  40          2HG2      ILE  40   1.301  -5.945  -2.870
  314   3HG2  ILE  40          3HG2      ILE  40   2.312  -4.544  -2.461
  315   1HD1  ILE  40          1HD1      ILE  40   5.399  -5.989  -4.153
  316   2HD1  ILE  40          2HD1      ILE  40   4.762  -4.334  -4.081
  317   3HD1  ILE  40          3HD1      ILE  40   4.315  -5.527  -2.835
  318    H    TYR  41           H        TYR  41  -1.592  -5.452  -5.101
  319    HA   TYR  41           HA       TYR  41  -2.115  -2.688  -6.109
  320   1HB   TYR  41          HB2       TYR  41  -2.348  -5.159  -7.546
  321   2HB   TYR  41          HB3       TYR  41  -3.976  -4.719  -7.105
  322    HD1  TYR  41           HD1      TYR  41  -1.775  -4.530  -9.708
  323    HD2  TYR  41           HD2      TYR  41  -4.251  -1.897  -7.368
  324    HE1  TYR  41           HE1      TYR  41  -2.026  -3.028 -11.669
  325    HE2  TYR  41           HE2      TYR  41  -4.453  -0.363  -9.308
  326    HH   TYR  41           HH       TYR  41  -3.785   0.096 -11.438
  327    H    GLU  42           H        GLU  42  -3.736  -1.668  -4.954
  328    HA   GLU  42           HA       GLU  42  -5.427  -3.390  -3.216
  329   1HB   GLU  42          HB2       GLU  42  -3.895  -1.614  -2.160
  330   2HB   GLU  42          HB3       GLU  42  -4.963  -0.404  -2.856
  331   1HG   GLU  42          HG2       GLU  42  -6.840  -1.200  -1.546
  332   2HG   GLU  42          HG3       GLU  42  -5.991  -2.689  -1.142
  333    H    VAL  43           H        VAL  43  -5.861  -3.234  -6.059
  334    HA   VAL  43           HA       VAL  43  -8.619  -2.632  -5.824
  335    HB   VAL  43           HB       VAL  43  -8.092  -0.366  -6.369
  336   1HG1  VAL  43          1HG1      VAL  43  -7.090   0.406  -8.437
  337   2HG1  VAL  43          2HG1      VAL  43  -5.958  -0.508  -7.451
  338   3HG1  VAL  43          3HG1      VAL  43  -6.695  -1.262  -8.889
  339   1HG2  VAL  43          1HG2      VAL  43  -9.493   0.033  -8.254
  340   2HG2  VAL  43          2HG2      VAL  43  -9.236  -1.603  -8.884
  341   3HG2  VAL  43          3HG2      VAL  43 -10.131  -1.369  -7.368
  342    H    TRP  44           H        TRP  44  -6.032  -3.378  -8.290
  343    HA   TRP  44           HA       TRP  44  -7.863  -4.587 -10.041
  344   1HB   TRP  44          HB2       TRP  44  -5.563  -3.835 -10.625
  345   2HB   TRP  44          HB3       TRP  44  -4.906  -5.199  -9.731
  346    HD1  TRP  44           HD1      TRP  44  -7.887  -5.748 -12.101
  347    HE1  TRP  44           HE1      TRP  44  -7.154  -7.228 -14.045
  348    HE3  TRP  44           HE3      TRP  44  -2.833  -5.681 -11.317
  349    HZ2  TRP  44           HZ2      TRP  44  -4.690  -8.231 -15.157
  350    HZ3  TRP  44           HZ3      TRP  44  -1.304  -6.862 -12.863
  351    HH2  TRP  44           HH2      TRP  44  -2.213  -8.154 -14.775
  352    H    ASP  45           H        ASP  45  -8.587  -6.660 -10.323
  353    HA   ASP  45           HA       ASP  45  -8.156  -8.629  -8.126
  354   1HB   ASP  45          HB2       ASP  45 -10.263  -7.274  -7.981
  355   2HB   ASP  45          HB3       ASP  45 -10.741  -7.896  -9.562
  356    H    ARG  46           H        ARG  46  -6.872  -8.399 -10.745
  357    HA   ARG  46           HA       ARG  46  -6.117  -9.589 -12.448
  358   1HB   ARG  46          HB2       ARG  46  -6.385 -11.523 -10.728
  359   2HB   ARG  46          HB3       ARG  46  -7.752 -12.029 -11.731
  360   1HG   ARG  46          HG2       ARG  46  -6.260 -12.170 -13.704
  361   2HG   ARG  46          HG3       ARG  46  -4.913 -11.542 -12.734
  362   1HD   ARG  46          HD2       ARG  46  -5.163 -13.538 -11.210
  363   2HD   ARG  46          HD3       ARG  46  -6.346 -14.203 -12.340
  364    HE   ARG  46           HE       ARG  46  -3.442 -13.671 -12.837
  365   1HH1  ARG  46          1HH1      ARG  46  -6.404 -15.290 -13.965
  366   2HH1  ARG  46          2HH1      ARG  46  -5.607 -16.125 -15.247
  367   1HH2  ARG  46          1HH2      ARG  46  -2.418 -14.727 -14.498
  368   2HH2  ARG  46          2HH2      ARG  46  -3.259 -15.821 -15.543
  369    H    LYS  47           H        LYS  47  -9.615  -9.952 -12.046
  370    HA   LYS  47           HA       LYS  47 -11.345 -10.012 -13.488
  371   1HB   LYS  47          HB2       LYS  47  -9.726  -7.978 -15.061
  372   2HB   LYS  47          HB3       LYS  47 -11.458  -8.295 -15.225
  373   1HG   LYS  47          HG2       LYS  47 -11.772  -7.635 -12.818
  374   2HG   LYS  47          HG3       LYS  47 -10.071  -7.159 -12.754
  375   1HD   LYS  47          HD2       LYS  47 -12.194  -5.975 -14.597
  376   2HD   LYS  47          HD3       LYS  47 -11.569  -5.233 -13.116
  377   1HE   LYS  47          HE2       LYS  47  -9.286  -5.161 -14.118
  378   2HE   LYS  47          HE3       LYS  47  -9.919  -5.878 -15.605
  379   1HZ   LYS  47          HZ1       LYS  47 -10.736  -3.249 -14.512
  380   2HZ   LYS  47          HZ2       LYS  47  -9.720  -3.499 -15.774
  381   3HZ   LYS  47          HZ3       LYS  47 -11.299  -3.917 -15.898
  Start of MODEL   13
    1   1H    ALA   1          H1        ALA   1  -6.453  -2.922   2.001
    2   2H    ALA   1          H2        ALA   1  -7.757  -3.905   1.853
    3   3H    ALA   1          H3        ALA   1  -7.134  -3.587   3.347
    4    HA   ALA   1           HA       ALA   1  -5.101  -4.699   2.804
    5   1HB   ALA   1          HB1       ALA   1  -7.553  -6.431   2.242
    6   2HB   ALA   1          HB2       ALA   1  -5.934  -7.020   2.666
    7   3HB   ALA   1          HB3       ALA   1  -6.863  -6.075   3.843
    8    H    ILE   2           H        ILE   2  -3.633  -4.998   1.213
    9    HA   ILE   2           HA       ILE   2  -4.254  -4.626  -1.548
   10    HB   ILE   2           HB       ILE   2  -1.881  -5.582  -1.867
   11   1HG1  ILE   2          2HG1      ILE   2  -0.353  -5.493   0.005
   12   2HG1  ILE   2          3HG1      ILE   2  -1.655  -5.201   1.149
   13   1HG2  ILE   2          1HG2      ILE   2  -2.399  -3.082  -0.220
   14   2HG2  ILE   2          2HG2      ILE   2  -0.875  -3.455  -1.053
   15   3HG2  ILE   2          3HG2      ILE   2  -2.346  -3.247  -1.994
   16   1HD1  ILE   2          1HD1      ILE   2  -0.746  -7.548   1.113
   17   2HD1  ILE   2          2HD1      ILE   2  -2.490  -7.461   0.860
   18   3HD1  ILE   2          3HD1      ILE   2  -1.398  -7.739  -0.528
   19    H    LYS   3           H        LYS   3  -3.756  -6.107  -3.255
   20    HA   LYS   3           HA       LYS   3  -4.116  -9.005  -2.739
   21   1HB   LYS   3          HB2       LYS   3  -5.123  -7.292  -5.074
   22   2HB   LYS   3          HB3       LYS   3  -4.970  -9.048  -5.151
   23   1HG   LYS   3          HG2       LYS   3  -6.576  -9.327  -3.322
   24   2HG   LYS   3          HG3       LYS   3  -6.744  -7.567  -3.163
   25   1HD   LYS   3          HD2       LYS   3  -7.681  -7.385  -5.400
   26   2HD   LYS   3          HD3       LYS   3  -7.364  -9.101  -5.729
   27   1HE   LYS   3          HE2       LYS   3  -8.923  -9.776  -3.963
   28   2HE   LYS   3          HE3       LYS   3  -9.213  -8.087  -3.525
   29   1HZ   LYS   3          HZ1       LYS   3 -10.233  -7.741  -5.664
   30   2HZ   LYS   3          HZ2       LYS   3  -9.879  -9.261  -6.180
   31   3HZ   LYS   3          HZ3       LYS   3 -10.947  -9.026  -4.960
   32    H    LEU   4           H        LEU   4  -2.850 -10.217  -4.360
   33    HA   LEU   4           HA       LEU   4  -0.569  -8.711  -5.567
   34   1HB   LEU   4          HB2       LEU   4  -0.619 -11.590  -4.553
   35   2HB   LEU   4          HB3       LEU   4   0.707 -10.825  -5.427
   36    HG   LEU   4           HG       LEU   4  -0.297 -10.040  -2.652
   37   1HD1  LEU   4          1HD1      LEU   4   2.291 -11.386  -3.535
   38   2HD1  LEU   4          2HD1      LEU   4   1.857 -10.924  -1.874
   39   3HD1  LEU   4          3HD1      LEU   4   0.929 -12.179  -2.711
   40   1HD2  LEU   4          1HD2      LEU   4   2.000  -8.915  -4.309
   41   2HD2  LEU   4          2HD2      LEU   4   0.553  -8.041  -3.754
   42   3HD2  LEU   4          3HD2      LEU   4   1.744  -8.590  -2.577
   43    H    VAL   5           H        VAL   5  -0.448  -8.995  -7.770
   44    HA   VAL   5           HA       VAL   5  -2.628 -10.625  -8.992
   45    HB   VAL   5           HB       VAL   5  -2.103  -7.703  -9.664
   46   1HG1  VAL   5          1HG1      VAL   5  -3.370  -8.987 -11.330
   47   2HG1  VAL   5          2HG1      VAL   5  -4.480  -9.577 -10.064
   48   3HG1  VAL   5          3HG1      VAL   5  -4.448  -7.860 -10.507
   49   1HG2  VAL   5          1HG2      VAL   5  -4.149  -8.709  -7.638
   50   2HG2  VAL   5          2HG2      VAL   5  -2.785  -7.607  -7.313
   51   3HG2  VAL   5          3HG2      VAL   5  -4.109  -7.079  -8.339
   52    H    GLN   6           H        GLN   6  -2.246 -11.212 -11.192
   53    HA   GLN   6           HA       GLN   6   0.079 -10.227 -12.583
   54   1HB   GLN   6          HB2       GLN   6   1.075 -12.527 -12.870
   55   2HB   GLN   6          HB3       GLN   6   1.276 -11.809 -11.282
   56   1HG   GLN   6          HG2       GLN   6  -0.600 -13.221 -10.403
   57   2HG   GLN   6          HG3       GLN   6  -0.736 -13.986 -11.989
   58   1HE2  GLN   6          2HE2      GLN   6   1.718 -13.324  -9.391
   59   2HE2  GLN   6          1HE2      GLN   6   2.559 -14.836  -9.606
   60    H    SER   7           H        SER   7  -0.398 -10.199 -14.712
   61    HA   SER   7           HA       SER   7  -1.863 -12.254 -16.075
   62   1HB   SER   7          HB2       SER   7  -3.175  -9.518 -15.714
   63   2HB   SER   7          HB3       SER   7  -3.589 -10.618 -17.024
   64    HG   SER   7           HG       SER   7  -4.981 -10.727 -15.233
   65    HA   PRO   8           HA       PRO   8   0.800 -10.399 -19.115
   66   1HB   PRO   8          HB2       PRO   8  -0.373 -11.021 -21.527
   67   2HB   PRO   8          HB3       PRO   8   0.470 -12.204 -20.483
   68   1HG   PRO   8          HG2       PRO   8  -2.507 -11.656 -20.653
   69   2HG   PRO   8          HG3       PRO   8  -1.668 -13.241 -20.670
   70   1HD   PRO   8          HD2       PRO   8  -2.769 -12.243 -18.399
   71   2HD   PRO   8          HD3       PRO   8  -1.217 -13.129 -18.352
   72    H    ASN   9           H        ASN   9  -2.631  -9.441 -19.191
   73    HA   ASN   9           HA       ASN   9  -2.309  -7.346 -21.096
   74   1HB   ASN   9          HB2       ASN   9  -4.483  -8.441 -20.439
   75   2HB   ASN   9          HB3       ASN   9  -4.429  -7.549 -18.915
   76   1HD2  ASN   9          2HD2      ASN   9  -4.694  -7.219 -22.479
   77   2HD2  ASN   9          1HD2      ASN   9  -5.342  -5.601 -22.448
   78    H    GLY  10           H        GLY  10  -1.793  -7.400 -17.582
   79   1HA   GLY  10          HA2       GLY  10  -0.988  -5.829 -16.122
   80   2HA   GLY  10          HA3       GLY  10  -0.305  -5.003 -17.529
   81    H    ASN  11           H        ASN  11  -3.768  -5.528 -16.982
   82    HA   ASN  11           HA       ASN  11  -4.598  -3.004 -17.782
   83   1HB   ASN  11          HB2       ASN  11  -6.087  -4.921 -17.748
   84   2HB   ASN  11          HB3       ASN  11  -5.931  -5.057 -16.005
   85   1HD2  ASN  11          2HD2      ASN  11  -8.246  -4.956 -15.840
   86   2HD2  ASN  11          1HD2      ASN  11  -9.077  -3.406 -15.968
   87    H    PHE  12           H        PHE  12  -3.630  -1.227 -16.836
   88    HA   PHE  12           HA       PHE  12  -3.428  -0.802 -14.001
   89   1HB   PHE  12          HB2       PHE  12  -1.944   0.359 -15.495
   90   2HB   PHE  12          HB3       PHE  12  -3.281   1.027 -16.420
   91    HD1  PHE  12           HD1      PHE  12  -4.275   3.110 -15.831
   92    HD2  PHE  12           HD2      PHE  12  -1.587   1.160 -13.071
   93    HE1  PHE  12           HE1      PHE  12  -4.217   5.157 -14.435
   94    HE2  PHE  12           HE2      PHE  12  -1.558   3.202 -11.666
   95    HZ   PHE  12           HZ       PHE  12  -2.869   5.207 -12.344
   96    H    ALA  13           H        ALA  13  -5.071  -0.373 -12.651
   97    HA   ALA  13           HA       ALA  13  -7.705   0.412 -13.774
   98   1HB   ALA  13          HB1       ALA  13  -6.972  -0.974 -11.168
   99   2HB   ALA  13          HB2       ALA  13  -8.614  -0.697 -11.787
  100   3HB   ALA  13          HB3       ALA  13  -7.510  -1.775 -12.663
  101    H    ALA  14           H        ALA  14  -5.244   2.008 -12.204
  102    HA   ALA  14           HA       ALA  14  -4.923   3.693 -10.810
  103   1HB   ALA  14          HB1       ALA  14  -6.308   5.674 -11.095
  104   2HB   ALA  14          HB2       ALA  14  -5.959   4.907 -12.655
  105   3HB   ALA  14          HB3       ALA  14  -7.559   4.717 -11.912
  106    H    SER  15           H        SER  15  -8.510   3.461 -10.298
  107    HA   SER  15           HA       SER  15  -8.246   2.663  -7.562
  108   1HB   SER  15          HB2       SER  15  -9.251   4.858  -6.666
  109   2HB   SER  15          HB3       SER  15  -7.533   4.869  -7.068
  110    HG   SER  15           HG       SER  15  -8.610   6.714  -7.875
  111    H    PHE  16           H        PHE  16 -10.412   2.666  -6.459
  112    HA   PHE  16           HA       PHE  16 -12.812   2.914  -8.064
  113   1HB   PHE  16          HB2       PHE  16 -11.726   0.723  -8.830
  114   2HB   PHE  16          HB3       PHE  16 -11.901   0.145  -7.178
  115    HD1  PHE  16           HD1      PHE  16 -14.138   1.881  -9.702
  116    HD2  PHE  16           HD2      PHE  16 -13.588  -1.464  -7.025
  117    HE1  PHE  16           HE1      PHE  16 -16.368   1.002 -10.335
  118    HE2  PHE  16           HE2      PHE  16 -15.809  -2.348  -7.685
  119    HZ   PHE  16           HZ       PHE  16 -17.207  -1.116  -9.332
  120    H    VAL  17           H        VAL  17 -14.674   1.763  -6.614
  121    HA   VAL  17           HA       VAL  17 -14.074   1.917  -3.735
  122    HB   VAL  17           HB       VAL  17 -16.384   3.401  -5.060
  123   1HG1  VAL  17          1HG1      VAL  17 -16.930   4.183  -2.787
  124   2HG1  VAL  17          2HG1      VAL  17 -17.022   2.422  -2.866
  125   3HG1  VAL  17          3HG1      VAL  17 -15.615   3.201  -2.112
  126   1HG2  VAL  17          1HG2      VAL  17 -15.342   5.446  -4.081
  127   2HG2  VAL  17          2HG2      VAL  17 -13.937   4.477  -3.586
  128   3HG2  VAL  17          3HG2      VAL  17 -14.317   4.701  -5.308
  129    H    LEU  18           H        LEU  18 -15.020   0.183  -2.734
  130    HA   LEU  18           HA       LEU  18 -17.235  -1.327  -3.894
  131   1HB   LEU  18          HB2       LEU  18 -15.361  -2.177  -5.243
  132   2HB   LEU  18          HB3       LEU  18 -14.375  -2.394  -3.812
  133    HG   LEU  18           HG       LEU  18 -15.945  -4.177  -3.010
  134   1HD1  LEU  18          1HD1      LEU  18 -17.998  -3.516  -4.252
  135   2HD1  LEU  18          2HD1      LEU  18 -17.181  -3.864  -5.788
  136   3HD1  LEU  18          3HD1      LEU  18 -17.524  -5.171  -4.636
  137   1HD2  LEU  18          1HD2      LEU  18 -15.156  -5.874  -4.600
  138   2HD2  LEU  18          2HD2      LEU  18 -14.722  -4.602  -5.766
  139   3HD2  LEU  18          3HD2      LEU  18 -13.875  -4.719  -4.208
  140    H    ASP  19           H        ASP  19 -18.171  -2.584  -2.256
  141    HA   ASP  19           HA       ASP  19 -18.827  -2.994  -0.151
  142   1HB   ASP  19          HB2       ASP  19 -17.312  -4.855  -0.648
  143   2HB   ASP  19          HB3       ASP  19 -15.972  -3.981   0.098
  144    H    GLY  20           H        GLY  20 -18.497  -0.373  -0.322
  145   1HA   GLY  20          HA2       GLY  20 -18.403   1.518   0.934
  146   2HA   GLY  20          HA3       GLY  20 -18.390   0.461   2.354
  147    H    THR  21           H        THR  21 -15.755   0.247   0.010
  148    HA   THR  21           HA       THR  21 -13.892   1.687   1.827
  149    HB   THR  21           HB       THR  21 -13.524  -1.074   0.568
  150    HG1  THR  21           HG1      THR  21 -15.037  -1.232   2.182
  151   1HG2  THR  21          1HG2      THR  21 -11.852   0.435   2.625
  152   2HG2  THR  21          2HG2      THR  21 -11.626  -1.272   2.176
  153   3HG2  THR  21          3HG2      THR  21 -11.374  -0.013   0.971
  154    H    LYS  22           H        LYS  22 -12.039   2.552   0.681
  155    HA   LYS  22           HA       LYS  22 -12.457   2.876  -2.244
  156   1HB   LYS  22          HB2       LYS  22 -12.164   4.904  -0.818
  157   2HB   LYS  22          HB3       LYS  22 -10.547   4.337  -0.366
  158   1HG   LYS  22          HG2       LYS  22  -9.799   4.489  -2.700
  159   2HG   LYS  22          HG3       LYS  22 -11.448   4.868  -3.238
  160   1HD   LYS  22          HD2       LYS  22 -11.381   6.979  -1.938
  161   2HD   LYS  22          HD3       LYS  22  -9.728   6.593  -1.401
  162   1HE   LYS  22          HE2       LYS  22  -8.967   6.563  -3.766
  163   2HE   LYS  22          HE3       LYS  22 -10.612   6.924  -4.308
  164   1HZ   LYS  22          HZ1       LYS  22  -8.938   8.718  -2.642
  165   2HZ   LYS  22          HZ2       LYS  22  -9.253   8.915  -4.228
  166   3HZ   LYS  22          HZ3       LYS  22 -10.460   9.049  -3.144
  167    H    TRP  23           H        TRP  23 -10.752   2.424  -3.688
  168    HA   TRP  23           HA       TRP  23  -8.705   0.454  -2.800
  169   1HB   TRP  23          HB2       TRP  23 -10.819   0.262  -4.996
  170   2HB   TRP  23          HB3       TRP  23  -9.535  -0.886  -4.799
  171    HD1  TRP  23           HD1      TRP  23 -12.740   0.233  -3.175
  172    HE1  TRP  23           HE1      TRP  23 -13.624  -1.521  -1.553
  173    HE3  TRP  23           HE3      TRP  23  -8.824  -3.053  -3.370
  174    HZ2  TRP  23           HZ2      TRP  23 -12.726  -4.052  -0.456
  175    HZ3  TRP  23           HZ3      TRP  23  -8.865  -5.131  -2.035
  176    HH2  TRP  23           HH2      TRP  23 -10.813  -5.649  -0.577
  177    H    ILE  24           H        ILE  24  -6.771   0.589  -4.139
  178    HA   ILE  24           HA       ILE  24  -6.581   2.651  -6.186
  179    HB   ILE  24           HB       ILE  24  -6.735   3.942  -4.102
  180   1HG1  ILE  24          2HG1      ILE  24  -3.930   4.204  -5.232
  181   2HG1  ILE  24          3HG1      ILE  24  -5.387   4.702  -6.098
  182   1HG2  ILE  24          1HG2      ILE  24  -5.718   2.295  -2.534
  183   2HG2  ILE  24          2HG2      ILE  24  -4.124   2.629  -3.241
  184   3HG2  ILE  24          3HG2      ILE  24  -5.013   3.900  -2.377
  185   1HD1  ILE  24          1HD1      ILE  24  -4.409   6.627  -5.022
  186   2HD1  ILE  24          2HD1      ILE  24  -5.949   6.254  -4.223
  187   3HD1  ILE  24          3HD1      ILE  24  -4.405   5.825  -3.444
  188    H    PHE  25           H        PHE  25  -4.510   2.767  -7.182
  189    HA   PHE  25           HA       PHE  25  -2.988   0.418  -7.495
  190   1HB   PHE  25          HB2       PHE  25  -3.164   2.191  -9.159
  191   2HB   PHE  25          HB3       PHE  25  -2.475   3.361  -8.048
  192    HD1  PHE  25           HD1      PHE  25  -1.364  -0.068  -9.232
  193    HD2  PHE  25           HD2      PHE  25  -0.410   4.118  -8.815
  194    HE1  PHE  25           HE1      PHE  25   0.821  -0.471 -10.272
  195    HE2  PHE  25           HE2      PHE  25   1.808   3.702  -9.836
  196    HZ   PHE  25           HZ       PHE  25   2.436   1.413 -10.575
  197    H    LYS  26           H        LYS  26  -0.751  -0.024  -6.992
  198    HA   LYS  26           HA       LYS  26   0.533   1.659  -4.976
  199   1HB   LYS  26          HB2       LYS  26  -0.679  -0.325  -3.835
  200   2HB   LYS  26          HB3       LYS  26   0.589  -1.336  -4.502
  201   1HG   LYS  26          HG2       LYS  26   1.035   1.059  -2.677
  202   2HG   LYS  26          HG3       LYS  26   0.932  -0.623  -2.155
  203   1HD   LYS  26          HD2       LYS  26   2.936  -1.154  -3.602
  204   2HD   LYS  26          HD3       LYS  26   3.060   0.571  -3.967
  205   1HE   LYS  26          HE2       LYS  26   4.634   0.139  -2.256
  206   2HE   LYS  26          HE3       LYS  26   3.317   1.070  -1.542
  207   1HZ   LYS  26          HZ1       LYS  26   4.004  -0.758  -0.124
  208   2HZ   LYS  26          HZ2       LYS  26   2.467  -1.008  -0.591
  209   3HZ   LYS  26          HZ3       LYS  26   3.690  -1.863  -1.274
  210    H    SER  27           H        SER  27   1.204  -1.514  -6.738
  211    HA   SER  27           HA       SER  27   3.345  -0.128  -8.249
  212   1HB   SER  27          HB2       SER  27   3.831  -2.576  -6.490
  213   2HB   SER  27          HB3       SER  27   5.006  -1.810  -7.569
  214    HG   SER  27           HG       SER  27   5.339  -1.121  -5.461
  215    H    LYS  28           H        LYS  28   4.005  -1.253 -10.141
  216    HA   LYS  28           HA       LYS  28   3.094  -3.974 -10.604
  217   1HB   LYS  28          HB2       LYS  28   2.188  -3.541 -12.837
  218   2HB   LYS  28          HB3       LYS  28   1.212  -2.784 -11.584
  219   1HG   LYS  28          HG2       LYS  28   2.227  -0.583 -12.092
  220   2HG   LYS  28          HG3       LYS  28   3.242  -1.305 -13.330
  221   1HD   LYS  28          HD2       LYS  28   0.196  -1.441 -13.447
  222   2HD   LYS  28          HD3       LYS  28   1.129  -0.076 -14.082
  223   1HE   LYS  28          HE2       LYS  28   2.457  -1.661 -15.490
  224   2HE   LYS  28          HE3       LYS  28   1.404  -2.984 -14.975
  225   1HZ   LYS  28          HZ1       LYS  28   0.439  -0.566 -16.401
  226   2HZ   LYS  28          HZ2       LYS  28   0.828  -1.964 -17.138
  227   3HZ   LYS  28          HZ3       LYS  28  -0.424  -1.947 -16.110
  228    H    TYR  29           H        TYR  29   4.433  -5.036 -12.183
  229    HA   TYR  29           HA       TYR  29   6.538  -3.542 -13.546
  230   1HB   TYR  29          HB2       TYR  29   8.374  -4.768 -12.619
  231   2HB   TYR  29          HB3       TYR  29   7.535  -3.976 -11.305
  232    HD1  TYR  29           HD1      TYR  29   8.677  -7.148 -12.673
  233    HD2  TYR  29           HD2      TYR  29   6.037  -5.366  -9.757
  234    HE1  TYR  29           HE1      TYR  29   8.610  -9.285 -11.429
  235    HE2  TYR  29           HE2      TYR  29   5.955  -7.501  -8.515
  236    HH   TYR  29           HH       TYR  29   6.740  -9.701  -8.388
  237    H    TYR  30           H        TYR  30   7.609  -4.963 -15.159
  238    HA   TYR  30           HA       TYR  30   5.806  -7.151 -16.049
  239   1HB   TYR  30          HB2       TYR  30   6.400  -5.293 -17.610
  240   2HB   TYR  30          HB3       TYR  30   8.088  -5.774 -17.505
  241    HD1  TYR  30           HD1      TYR  30   4.670  -6.972 -18.459
  242    HD2  TYR  30           HD2      TYR  30   8.920  -7.542 -18.914
  243    HE1  TYR  30           HE1      TYR  30   4.252  -8.498 -20.366
  244    HE2  TYR  30           HE2      TYR  30   8.521  -9.064 -20.819
  245    HH   TYR  30           HH       TYR  30   6.923 -10.003 -22.246
  246    H    ASP  31           H        ASP  31   6.404  -9.203 -15.563
  247    HA   ASP  31           HA       ASP  31   9.155  -9.704 -14.554
  248   1HB   ASP  31          HB2       ASP  31   7.398 -10.539 -13.109
  249   2HB   ASP  31          HB3       ASP  31   6.671 -11.433 -14.450
  250    H    SER  32           H        SER  32  10.183  -9.493 -16.573
  251    HA   SER  32           HA       SER  32   9.596 -10.791 -18.936
  252   1HB   SER  32          HB2       SER  32  12.382 -10.316 -17.820
  253   2HB   SER  32          HB3       SER  32  11.881 -10.328 -19.522
  254    HG   SER  32           HG       SER  32  12.106  -8.202 -18.684
  255    H    SER  33           H        SER  33  10.628 -12.369 -15.965
  256    HA   SER  33           HA       SER  33  11.921 -14.647 -17.100
  257   1HB   SER  33          HB2       SER  33  10.249 -14.819 -14.599
  258   2HB   SER  33          HB3       SER  33  11.809 -15.567 -14.964
  259    HG   SER  33           HG       SER  33  11.118 -12.973 -14.162
  260    H    LYS  34           H        LYS  34   8.534 -13.703 -16.870
  261    HA   LYS  34           HA       LYS  34   7.703 -16.307 -18.093
  262   1HB   LYS  34          HB2       LYS  34   6.378 -14.720 -15.869
  263   2HB   LYS  34          HB3       LYS  34   5.550 -15.989 -16.780
  264   1HG   LYS  34          HG2       LYS  34   7.234 -17.645 -16.054
  265   2HG   LYS  34          HG3       LYS  34   8.079 -16.395 -15.119
  266   1HD   LYS  34          HD2       LYS  34   6.094 -16.051 -13.719
  267   2HD   LYS  34          HD3       LYS  34   5.188 -17.255 -14.667
  268   1HE   LYS  34          HE2       LYS  34   6.842 -18.995 -14.010
  269   2HE   LYS  34          HE3       LYS  34   7.730 -17.794 -13.062
  270   1HZ   LYS  34          HZ1       LYS  34   6.257 -19.092 -11.669
  271   2HZ   LYS  34          HZ2       LYS  34   5.755 -17.541 -11.666
  272   3HZ   LYS  34          HZ3       LYS  34   4.947 -18.667 -12.536
  273    H    GLY  35           H        GLY  35   7.660 -12.835 -18.294
  274   1HA   GLY  35          HA2       GLY  35   7.088 -11.605 -20.130
  275   2HA   GLY  35          HA3       GLY  35   6.453 -13.055 -20.928
  276    H    TYR  36           H        TYR  36   5.594 -11.400 -17.819
  277    HA   TYR  36           HA       TYR  36   3.051 -10.531 -18.877
  278   1HB   TYR  36          HB2       TYR  36   1.628 -11.639 -17.317
  279   2HB   TYR  36          HB3       TYR  36   2.457 -12.823 -18.292
  280    HD1  TYR  36           HD1      TYR  36   4.977 -12.186 -15.935
  281    HD2  TYR  36           HD2      TYR  36   0.976 -13.802 -16.192
  282    HE1  TYR  36           HE1      TYR  36   5.374 -13.489 -13.899
  283    HE2  TYR  36           HE2      TYR  36   1.390 -15.137 -14.160
  284    HH   TYR  36           HH       TYR  36   2.868 -15.581 -12.424
  285    H    TRP  37           H        TRP  37   1.812  -9.262 -17.101
  286    HA   TRP  37           HA       TRP  37   3.792  -7.677 -15.583
  287   1HB   TRP  37          HB2       TRP  37   0.844  -7.316 -16.190
  288   2HB   TRP  37          HB3       TRP  37   1.707  -6.344 -15.012
  289    HD1  TRP  37           HD1      TRP  37   1.436  -6.862 -18.780
  290    HE1  TRP  37           HE1      TRP  37   2.569  -4.933 -20.003
  291    HE3  TRP  37           HE3      TRP  37   3.565  -4.536 -14.764
  292    HZ2  TRP  37           HZ2      TRP  37   4.268  -2.665 -19.323
  293    HZ3  TRP  37           HZ3      TRP  37   4.969  -2.504 -15.076
  294    HH2  TRP  37           HH2      TRP  37   5.324  -1.569 -17.349
  295    H    VAL  38           H        VAL  38   3.656  -7.457 -13.375
  296    HA   VAL  38           HA       VAL  38   1.903  -9.220 -11.794
  297    HB   VAL  38           HB       VAL  38   4.925  -8.947 -11.429
  298   1HG1  VAL  38          1HG1      VAL  38   3.811  -9.311  -9.286
  299   2HG1  VAL  38          2HG1      VAL  38   2.862 -10.653  -9.958
  300   3HG1  VAL  38          3HG1      VAL  38   4.620 -10.800  -9.762
  301   1HG2  VAL  38          1HG2      VAL  38   4.576 -10.385 -13.363
  302   2HG2  VAL  38          2HG2      VAL  38   5.062 -11.373 -11.991
  303   3HG2  VAL  38          3HG2      VAL  38   3.357 -11.335 -12.489
  304    H    GLY  39           H        GLY  39   1.571  -8.193  -9.610
  305   1HA   GLY  39          HA2       GLY  39   2.940  -5.703  -9.025
  306   2HA   GLY  39          HA3       GLY  39   1.294  -5.451  -9.619
  307    H    ILE  40           H        ILE  40   1.725  -4.465  -7.350
  308    HA   ILE  40           HA       ILE  40   0.473  -6.186  -5.275
  309    HB   ILE  40           HB       ILE  40   2.383  -3.837  -4.816
  310   1HG1  ILE  40          2HG1      ILE  40   2.976  -6.789  -4.357
  311   2HG1  ILE  40          3HG1      ILE  40   3.659  -5.802  -5.646
  312   1HG2  ILE  40          1HG2      ILE  40   2.171  -4.406  -2.434
  313   2HG2  ILE  40          2HG2      ILE  40   0.575  -4.137  -3.118
  314   3HG2  ILE  40          3HG2      ILE  40   1.137  -5.796  -2.830
  315   1HD1  ILE  40          1HD1      ILE  40   5.299  -5.978  -3.923
  316   2HD1  ILE  40          2HD1      ILE  40   4.700  -4.308  -3.929
  317   3HD1  ILE  40          3HD1      ILE  40   4.164  -5.454  -2.672
  318    H    TYR  41           H        TYR  41  -1.606  -5.360  -5.063
  319    HA   TYR  41           HA       TYR  41  -2.117  -2.599  -6.063
  320   1HB   TYR  41          HB2       TYR  41  -2.323  -5.027  -7.594
  321   2HB   TYR  41          HB3       TYR  41  -3.956  -4.582  -7.178
  322    HD1  TYR  41           HD1      TYR  41  -1.574  -4.265  -9.671
  323    HD2  TYR  41           HD2      TYR  41  -4.304  -1.826  -7.406
  324    HE1  TYR  41           HE1      TYR  41  -1.735  -2.684 -11.579
  325    HE2  TYR  41           HE2      TYR  41  -4.448  -0.225  -9.301
  326    HH   TYR  41           HH       TYR  41  -3.533   0.403 -11.306
  327    H    GLU  42           H        GLU  42  -3.810  -1.641  -4.929
  328    HA   GLU  42           HA       GLU  42  -5.496  -3.445  -3.262
  329   1HB   GLU  42          HB2       GLU  42  -4.007  -1.782  -2.071
  330   2HB   GLU  42          HB3       GLU  42  -4.944  -0.483  -2.795
  331   1HG   GLU  42          HG2       GLU  42  -6.934  -1.145  -1.591
  332   2HG   GLU  42          HG3       GLU  42  -6.235  -2.710  -1.186
  333    H    VAL  43           H        VAL  43  -5.901  -3.216  -6.071
  334    HA   VAL  43           HA       VAL  43  -8.653  -2.616  -5.901
  335    HB   VAL  43           HB       VAL  43  -8.115  -0.318  -6.336
  336   1HG1  VAL  43          1HG1      VAL  43  -6.656  -1.105  -8.856
  337   2HG1  VAL  43          2HG1      VAL  43  -7.067   0.541  -8.342
  338   3HG1  VAL  43          3HG1      VAL  43  -5.954  -0.410  -7.370
  339   1HG2  VAL  43          1HG2      VAL  43  -9.466   0.156  -8.237
  340   2HG2  VAL  43          2HG2      VAL  43  -9.188  -1.450  -8.929
  341   3HG2  VAL  43          3HG2      VAL  43 -10.124  -1.283  -7.430
  342    H    TRP  44           H        TRP  44  -5.943  -3.255  -8.233
  343    HA   TRP  44           HA       TRP  44  -7.661  -4.297 -10.182
  344   1HB   TRP  44          HB2       TRP  44  -5.321  -3.499 -10.538
  345   2HB   TRP  44          HB3       TRP  44  -4.730  -4.968  -9.762
  346    HD1  TRP  44           HD1      TRP  44  -7.569  -4.973 -12.379
  347    HE1  TRP  44           HE1      TRP  44  -6.868  -6.333 -14.388
  348    HE3  TRP  44           HE3      TRP  44  -2.622  -5.612 -11.201
  349    HZ2  TRP  44           HZ2      TRP  44  -4.419  -7.493 -15.440
  350    HZ3  TRP  44           HZ3      TRP  44  -1.110  -6.794 -12.765
  351    HH2  TRP  44           HH2      TRP  44  -1.990  -7.746 -14.881
  352    H    ASP  45           H        ASP  45  -8.034  -6.433 -10.911
  353    HA   ASP  45           HA       ASP  45  -7.825  -8.613  -8.904
  354   1HB   ASP  45          HB2       ASP  45  -9.996  -7.321  -8.736
  355   2HB   ASP  45          HB3       ASP  45 -10.365  -7.821 -10.387
  356    H    ARG  46           H        ARG  46  -6.315  -8.068 -11.261
  357    HA   ARG  46           HA       ARG  46  -5.320  -9.036 -12.942
  358   1HB   ARG  46          HB2       ARG  46  -4.843 -11.143 -12.688
  359   2HB   ARG  46          HB3       ARG  46  -5.917 -11.126 -11.313
  360   1HG   ARG  46          HG2       ARG  46  -7.771 -12.004 -12.713
  361   2HG   ARG  46          HG3       ARG  46  -6.716 -12.016 -14.131
  362   1HD   ARG  46          HD2       ARG  46  -6.240 -13.625 -11.601
  363   2HD   ARG  46          HD3       ARG  46  -6.942 -14.231 -13.113
  364    HE   ARG  46           HE       ARG  46  -4.352 -12.951 -13.499
  365   1HH1  ARG  46          1HH2      ARG  46  -5.941 -16.048 -12.742
  366   2HH1  ARG  46          2HH2      ARG  46  -4.563 -17.002 -13.148
  367   1HH2  ARG  46          1HH1      ARG  46  -2.539 -14.157 -13.852
  368   2HH2  ARG  46          2HH1      ARG  46  -2.563 -15.903 -13.873
  369    H    LYS  47           H        LYS  47  -8.773  -9.050 -13.167
  370    HA   LYS  47           HA       LYS  47  -9.134  -9.767 -15.864
  371   1HB   LYS  47          HB2       LYS  47 -10.574  -7.664 -14.192
  372   2HB   LYS  47          HB3       LYS  47 -11.118  -8.229 -15.775
  373   1HG   LYS  47          HG2       LYS  47 -11.270 -10.556 -14.912
  374   2HG   LYS  47          HG3       LYS  47 -10.810  -9.996 -13.301
  375   1HD   LYS  47          HD2       LYS  47 -13.289  -9.096 -14.833
  376   2HD   LYS  47          HD3       LYS  47 -13.254 -10.339 -13.572
  377   1HE   LYS  47          HE2       LYS  47 -12.411  -8.659 -11.938
  378   2HE   LYS  47          HE3       LYS  47 -12.496  -7.408 -13.185
  379   1HZ   LYS  47          HZ1       LYS  47 -14.893  -7.777 -13.297
  380   2HZ   LYS  47          HZ2       LYS  47 -14.813  -8.928 -12.139
  381   3HZ   LYS  47          HZ3       LYS  47 -14.453  -7.382 -11.780
  Start of MODEL   14
    1   1H    ALA   1          H1        ALA   1  -6.361  -6.785   2.319
    2   2H    ALA   1          H2        ALA   1  -5.003  -6.155   2.976
    3   3H    ALA   1          H3        ALA   1  -6.449  -5.941   3.718
    4    HA   ALA   1           HA       ALA   1  -7.287  -4.627   1.945
    5   1HB   ALA   1          HB1       ALA   1  -4.608  -3.558   2.940
    6   2HB   ALA   1          HB2       ALA   1  -5.907  -2.611   2.181
    7   3HB   ALA   1          HB3       ALA   1  -6.185  -3.393   3.744
    8    H    ILE   2           H        ILE   2  -3.701  -4.692   1.234
    9    HA   ILE   2           HA       ILE   2  -4.136  -4.463  -1.582
   10    HB   ILE   2           HB       ILE   2  -1.726  -5.292  -1.733
   11   1HG1  ILE   2          2HG1      ILE   2  -0.304  -5.110   0.219
   12   2HG1  ILE   2          3HG1      ILE   2  -1.681  -4.879   1.288
   13   1HG2  ILE   2          1HG2      ILE   2  -0.860  -3.112  -0.953
   14   2HG2  ILE   2          2HG2      ILE   2  -2.342  -2.973  -1.897
   15   3HG2  ILE   2          3HG2      ILE   2  -2.402  -2.802  -0.127
   16   1HD1  ILE   2          1HD1      ILE   2  -2.387  -7.182   0.963
   17   2HD1  ILE   2          2HD1      ILE   2  -1.196  -7.412  -0.347
   18   3HD1  ILE   2          3HD1      ILE   2  -0.661  -7.177   1.329
   19    H    LYS   3           H        LYS   3  -3.441  -6.020  -3.188
   20    HA   LYS   3           HA       LYS   3  -3.924  -8.882  -2.619
   21   1HB   LYS   3          HB2       LYS   3  -5.186  -7.213  -4.855
   22   2HB   LYS   3          HB3       LYS   3  -5.272  -8.973  -4.732
   23   1HG   LYS   3          HG2       LYS   3  -6.497  -8.782  -2.583
   24   2HG   LYS   3          HG3       LYS   3  -6.461  -7.019  -2.704
   25   1HD   LYS   3          HD2       LYS   3  -7.841  -8.882  -4.677
   26   2HD   LYS   3          HD3       LYS   3  -8.628  -7.967  -3.379
   27   1HE   LYS   3          HE2       LYS   3  -7.766  -5.836  -4.421
   28   2HE   LYS   3          HE3       LYS   3  -7.122  -6.797  -5.758
   29   1HZ   LYS   3          HZ1       LYS   3  -9.435  -7.550  -6.182
   30   2HZ   LYS   3          HZ2       LYS   3  -9.974  -6.503  -5.040
   31   3HZ   LYS   3          HZ3       LYS   3  -9.220  -5.920  -6.377
   32    H    LEU   4           H        LEU   4  -3.031 -10.140  -4.524
   33    HA   LEU   4           HA       LEU   4  -0.737  -8.742  -5.833
   34   1HB   LEU   4          HB2       LEU   4  -0.814 -11.594  -4.756
   35   2HB   LEU   4          HB3       LEU   4   0.518 -10.849  -5.635
   36    HG   LEU   4           HG       LEU   4  -0.478 -10.030  -2.867
   37   1HD1  LEU   4          1HD1      LEU   4   0.710 -12.190  -2.896
   38   2HD1  LEU   4          2HD1      LEU   4   2.089 -11.429  -3.722
   39   3HD1  LEU   4          3HD1      LEU   4   1.652 -10.942  -2.069
   40   1HD2  LEU   4          1HD2      LEU   4   0.413  -8.060  -3.974
   41   2HD2  LEU   4          2HD2      LEU   4   1.595  -8.625  -2.796
   42   3HD2  LEU   4          3HD2      LEU   4   1.842  -8.961  -4.527
   43    H    VAL   5           H        VAL   5  -0.564  -9.194  -8.029
   44    HA   VAL   5           HA       VAL   5  -2.583 -11.028  -9.215
   45    HB   VAL   5           HB       VAL   5  -2.224  -8.143 -10.123
   46   1HG1  VAL   5          1HG1      VAL   5  -3.159  -9.643 -11.831
   47   2HG1  VAL   5          2HG1      VAL   5  -4.367 -10.252 -10.671
   48   3HG1  VAL   5          3HG1      VAL   5  -4.422  -8.575 -11.245
   49   1HG2  VAL   5          1HG2      VAL   5  -3.206  -7.949  -7.887
   50   2HG2  VAL   5          2HG2      VAL   5  -4.421  -7.609  -9.109
   51   3HG2  VAL   5          3HG2      VAL   5  -4.425  -9.185  -8.290
   52    H    GLN   6           H        GLN   6  -2.019 -11.746 -11.314
   53    HA   GLN   6           HA       GLN   6   0.493 -10.835 -12.539
   54   1HB   GLN   6          HB2       GLN   6  -0.156 -13.784 -12.057
   55   2HB   GLN   6          HB3       GLN   6   1.239 -13.130 -12.919
   56   1HG   GLN   6          HG2       GLN   6   1.947 -12.036 -10.746
   57   2HG   GLN   6          HG3       GLN   6   0.667 -12.927  -9.930
   58   1HE2  GLN   6          2HE2      GLN   6   3.888 -13.031 -10.209
   59   2HE2  GLN   6          1HE2      GLN   6   4.167 -14.751 -10.283
   60    H    SER   7           H        SER   7  -0.016 -10.505 -14.731
   61    HA   SER   7           HA       SER   7  -1.634 -12.393 -16.157
   62   1HB   SER   7          HB2       SER   7  -3.542 -11.278 -15.214
   63   2HB   SER   7          HB3       SER   7  -2.845  -9.680 -15.503
   64    HG   SER   7           HG       SER   7  -4.502 -10.408 -17.019
   65    HA   PRO   8           HA       PRO   8   0.951 -10.362 -19.238
   66   1HB   PRO   8          HB2       PRO   8  -0.158 -11.267 -21.575
   67   2HB   PRO   8          HB3       PRO   8   0.822 -12.302 -20.491
   68   1HG   PRO   8          HG2       PRO   8  -2.204 -12.072 -20.603
   69   2HG   PRO   8          HG3       PRO   8  -1.209 -13.566 -20.624
   70   1HD   PRO   8          HD2       PRO   8  -2.324 -12.633 -18.332
   71   2HD   PRO   8          HD3       PRO   8  -0.683 -13.348 -18.324
   72    H    ASN   9           H        ASN   9  -2.560  -9.864 -18.971
   73    HA   ASN   9           HA       ASN   9  -2.699  -7.840 -21.032
   74   1HB   ASN   9          HB2       ASN   9  -4.680  -9.118 -20.211
   75   2HB   ASN   9          HB3       ASN   9  -4.568  -8.264 -18.667
   76   1HD2  ASN   9          2HD2      ASN   9  -5.247  -7.851 -22.180
   77   2HD2  ASN   9          1HD2      ASN   9  -6.003  -6.291 -22.009
   78    H    GLY  10           H        GLY  10  -1.947  -7.757 -17.549
   79   1HA   GLY  10          HA2       GLY  10  -0.971  -6.142 -16.264
   80   2HA   GLY  10          HA3       GLY  10  -0.408  -5.434 -17.785
   81    H    ASN  11           H        ASN  11  -3.836  -5.671 -17.012
   82    HA   ASN  11           HA       ASN  11  -4.509  -3.086 -17.720
   83   1HB   ASN  11          HB2       ASN  11  -6.140  -4.871 -17.546
   84   2HB   ASN  11          HB3       ASN  11  -5.843  -5.028 -15.824
   85   1HD2  ASN  11          2HD2      ASN  11  -8.185  -4.842 -15.677
   86   2HD2  ASN  11          1HD2      ASN  11  -8.914  -3.234 -15.644
   87    H    PHE  12           H        PHE  12  -3.684  -1.240 -16.891
   88    HA   PHE  12           HA       PHE  12  -3.241  -0.795 -14.034
   89   1HB   PHE  12          HB2       PHE  12  -1.853   0.369 -15.684
   90   2HB   PHE  12          HB3       PHE  12  -3.273   1.062 -16.449
   91    HD1  PHE  12           HD1      PHE  12  -1.466   0.949 -13.137
   92    HD2  PHE  12           HD2      PHE  12  -4.061   3.195 -15.757
   93    HE1  PHE  12           HE1      PHE  12  -1.349   2.888 -11.598
   94    HE2  PHE  12           HE2      PHE  12  -3.927   5.134 -14.218
   95    HZ   PHE  12           HZ       PHE  12  -2.581   4.984 -12.130
   96    H    ALA  13           H        ALA  13  -5.029  -0.765 -12.763
   97    HA   ALA  13           HA       ALA  13  -7.637   0.031 -13.877
   98   1HB   ALA  13          HB1       ALA  13  -7.393  -2.117 -12.702
   99   2HB   ALA  13          HB2       ALA  13  -6.893  -1.266 -11.222
  100   3HB   ALA  13          HB3       ALA  13  -8.535  -1.055 -11.864
  101    H    ALA  14           H        ALA  14  -5.248   1.767 -12.415
  102    HA   ALA  14           HA       ALA  14  -4.918   3.468 -11.050
  103   1HB   ALA  14          HB1       ALA  14  -7.600   4.441 -12.083
  104   2HB   ALA  14          HB2       ALA  14  -6.322   5.425 -11.345
  105   3HB   ALA  14          HB3       ALA  14  -6.031   4.620 -12.897
  106    H    SER  15           H        SER  15  -8.477   3.062 -10.428
  107    HA   SER  15           HA       SER  15  -8.151   2.675  -7.585
  108   1HB   SER  15          HB2       SER  15  -9.220   4.979  -7.095
  109   2HB   SER  15          HB3       SER  15  -7.488   4.940  -7.448
  110    HG   SER  15           HG       SER  15  -8.576   6.614  -8.580
  111    H    PHE  16           H        PHE  16 -10.297   2.697  -6.471
  112    HA   PHE  16           HA       PHE  16 -12.715   2.876  -8.034
  113   1HB   PHE  16          HB2       PHE  16 -11.722   0.607  -8.680
  114   2HB   PHE  16          HB3       PHE  16 -11.876   0.135  -6.995
  115    HD1  PHE  16           HD1      PHE  16 -14.177   1.864  -9.472
  116    HD2  PHE  16           HD2      PHE  16 -13.535  -1.508  -6.846
  117    HE1  PHE  16           HE1      PHE  16 -16.420   0.985 -10.042
  118    HE2  PHE  16           HE2      PHE  16 -15.769  -2.394  -7.453
  119    HZ   PHE  16           HZ       PHE  16 -17.221  -1.146  -9.040
  120    H    VAL  17           H        VAL  17 -14.584   1.933  -6.512
  121    HA   VAL  17           HA       VAL  17 -13.976   2.066  -3.650
  122    HB   VAL  17           HB       VAL  17 -16.176   3.754  -4.904
  123   1HG1  VAL  17          1HG1      VAL  17 -15.271   3.511  -1.994
  124   2HG1  VAL  17          2HG1      VAL  17 -16.551   4.572  -2.612
  125   3HG1  VAL  17          3HG1      VAL  17 -16.765   2.821  -2.665
  126   1HG2  VAL  17          1HG2      VAL  17 -13.576   4.626  -3.565
  127   2HG2  VAL  17          2HG2      VAL  17 -14.041   4.898  -5.259
  128   3HG2  VAL  17          3HG2      VAL  17 -14.926   5.708  -3.969
  129    H    LEU  18           H        LEU  18 -15.236   0.453  -2.638
  130    HA   LEU  18           HA       LEU  18 -17.433  -0.856  -4.099
  131   1HB   LEU  18          HB2       LEU  18 -15.388  -1.890  -5.016
  132   2HB   LEU  18          HB3       LEU  18 -14.824  -2.283  -3.416
  133    HG   LEU  18           HG       LEU  18 -15.714  -4.158  -4.761
  134   1HD1  LEU  18          1HD1      LEU  18 -16.738  -5.351  -2.977
  135   2HD1  LEU  18          2HD1      LEU  18 -15.513  -4.284  -2.279
  136   3HD1  LEU  18          3HD1      LEU  18 -17.236  -3.871  -2.154
  137   1HD2  LEU  18          1HD2      LEU  18 -17.663  -2.991  -5.766
  138   2HD2  LEU  18          2HD2      LEU  18 -18.076  -4.543  -5.020
  139   3HD2  LEU  18          3HD2      LEU  18 -18.482  -3.033  -4.187
  140    H    ASP  19           H        ASP  19 -18.919  -1.268  -2.622
  141    HA   ASP  19           HA       ASP  19 -20.026  -1.181  -0.695
  142   1HB   ASP  19          HB2       ASP  19 -19.401  -3.550  -0.898
  143   2HB   ASP  19          HB3       ASP  19 -17.998  -3.270   0.139
  144    H    GLY  20           H        GLY  20 -18.384   0.978  -0.841
  145   1HA   GLY  20          HA2       GLY  20 -17.974   2.784   0.499
  146   2HA   GLY  20          HA3       GLY  20 -18.325   1.800   1.925
  147    H    THR  21           H        THR  21 -15.998   0.008   0.395
  148    HA   THR  21           HA       THR  21 -13.773   1.195   1.954
  149    HB   THR  21           HB       THR  21 -13.929  -1.351   0.275
  150    HG1  THR  21           HG1      THR  21 -15.315  -1.313   2.109
  151   1HG2  THR  21          1HG2      THR  21 -11.594  -0.649   0.600
  152   2HG2  THR  21          2HG2      THR  21 -11.873  -0.442   2.345
  153   3HG2  THR  21          3HG2      THR  21 -11.947  -2.057   1.603
  154    H    LYS  22           H        LYS  22 -11.897   1.990   0.855
  155    HA   LYS  22           HA       LYS  22 -12.391   2.866  -1.950
  156   1HB   LYS  22          HB2       LYS  22 -12.203   4.591  -0.167
  157   2HB   LYS  22          HB3       LYS  22 -10.572   4.048   0.210
  158   1HG   LYS  22          HG2       LYS  22 -11.271   4.872  -2.620
  159   2HG   LYS  22          HG3       LYS  22 -11.076   6.115  -1.388
  160   1HD   LYS  22          HD2       LYS  22  -8.799   5.399  -0.893
  161   2HD   LYS  22          HD3       LYS  22  -8.890   4.086  -2.058
  162   1HE   LYS  22          HE2       LYS  22  -9.111   7.062  -2.680
  163   2HE   LYS  22          HE3       LYS  22  -7.691   6.052  -2.947
  164   1HZ   LYS  22          HZ1       LYS  22  -9.040   4.735  -4.541
  165   2HZ   LYS  22          HZ2       LYS  22 -10.302   5.761  -4.324
  166   3HZ   LYS  22          HZ3       LYS  22  -8.923   6.321  -4.978
  167    H    TRP  23           H        TRP  23 -10.760   2.532  -3.506
  168    HA   TRP  23           HA       TRP  23  -8.632   0.570  -2.804
  169   1HB   TRP  23          HB2       TRP  23 -10.720   0.459  -5.019
  170   2HB   TRP  23          HB3       TRP  23  -9.483  -0.733  -4.747
  171    HD1  TRP  23           HD1      TRP  23 -12.781   0.431  -3.342
  172    HE1  TRP  23           HE1      TRP  23 -13.777  -1.305  -1.776
  173    HE3  TRP  23           HE3      TRP  23  -8.875  -2.860  -3.248
  174    HZ2  TRP  23           HZ2      TRP  23 -12.962  -3.828  -0.586
  175    HZ3  TRP  23           HZ3      TRP  23  -9.012  -4.931  -1.906
  176    HH2  TRP  23           HH2      TRP  23 -11.049  -5.428  -0.568
  177    H    ILE  24           H        ILE  24  -6.758   0.668  -4.255
  178    HA   ILE  24           HA       ILE  24  -6.522   2.809  -6.210
  179    HB   ILE  24           HB       ILE  24  -6.604   4.037  -4.073
  180   1HG1  ILE  24          2HG1      ILE  24  -3.827   4.285  -5.262
  181   2HG1  ILE  24          3HG1      ILE  24  -5.295   4.833  -6.079
  182   1HG2  ILE  24          1HG2      ILE  24  -4.847   3.908  -2.397
  183   2HG2  ILE  24          2HG2      ILE  24  -5.594   2.326  -2.584
  184   3HG2  ILE  24          3HG2      ILE  24  -4.008   2.644  -3.315
  185   1HD1  ILE  24          1HD1      ILE  24  -4.234   6.700  -4.972
  186   2HD1  ILE  24          2HD1      ILE  24  -5.773   6.356  -4.163
  187   3HD1  ILE  24          3HD1      ILE  24  -4.233   5.859  -3.415
  188    H    PHE  25           H        PHE  25  -4.390   2.934  -7.198
  189    HA   PHE  25           HA       PHE  25  -2.866   0.579  -7.540
  190   1HB   PHE  25          HB2       PHE  25  -2.920   2.364  -9.175
  191   2HB   PHE  25          HB3       PHE  25  -2.321   3.528  -8.006
  192    HD1  PHE  25           HD1      PHE  25  -0.044   4.092  -8.006
  193    HD2  PHE  25           HD2      PHE  25  -1.268   0.317  -9.704
  194    HE1  PHE  25           HE1      PHE  25   2.269   3.690  -8.798
  195    HE2  PHE  25           HE2      PHE  25   1.040  -0.072 -10.494
  196    HZ   PHE  25           HZ       PHE  25   2.821   1.613 -10.048
  197    H    LYS  26           H        LYS  26  -0.641   0.140  -7.017
  198    HA   LYS  26           HA       LYS  26   0.590   1.692  -4.887
  199   1HB   LYS  26          HB2       LYS  26  -0.753  -0.166  -3.770
  200   2HB   LYS  26          HB3       LYS  26   0.377  -1.309  -4.459
  201   1HG   LYS  26          HG2       LYS  26   1.106   0.966  -2.574
  202   2HG   LYS  26          HG3       LYS  26   0.811  -0.711  -2.104
  203   1HD   LYS  26          HD2       LYS  26   2.726  -1.399  -3.623
  204   2HD   LYS  26          HD3       LYS  26   3.098   0.333  -3.809
  205   1HE   LYS  26          HE2       LYS  26   3.300   0.532  -1.331
  206   2HE   LYS  26          HE3       LYS  26   3.012  -1.206  -1.181
  207   1HZ   LYS  26          HZ1       LYS  26   5.040  -1.577  -2.478
  208   2HZ   LYS  26          HZ2       LYS  26   5.304   0.033  -2.596
  209   3HZ   LYS  26          HZ3       LYS  26   5.367  -0.702  -1.144
  210    H    SER  27           H        SER  27   1.180  -1.490  -6.661
  211    HA   SER  27           HA       SER  27   3.404  -0.185  -8.118
  212   1HB   SER  27          HB2       SER  27   3.758  -2.702  -6.425
  213   2HB   SER  27          HB3       SER  27   4.971  -1.961  -7.476
  214    HG   SER  27           HG       SER  27   5.399  -1.305  -5.422
  215    H    LYS  28           H        LYS  28   3.849  -1.216 -10.124
  216    HA   LYS  28           HA       LYS  28   2.929  -3.930 -10.619
  217   1HB   LYS  28          HB2       LYS  28   0.898  -2.665 -11.188
  218   2HB   LYS  28          HB3       LYS  28   1.828  -1.598 -12.252
  219   1HG   LYS  28          HG2       LYS  28   2.298  -3.444 -13.775
  220   2HG   LYS  28          HG3       LYS  28   1.595  -4.615 -12.652
  221   1HD   LYS  28          HD2       LYS  28  -0.004  -4.249 -14.412
  222   2HD   LYS  28          HD3       LYS  28  -0.616  -3.547 -12.930
  223   1HE   LYS  28          HE2       LYS  28  -1.119  -1.888 -14.481
  224   2HE   LYS  28          HE3       LYS  28   0.394  -1.290 -13.793
  225   1HZ   LYS  28          HZ1       LYS  28   1.484  -2.395 -15.799
  226   2HZ   LYS  28          HZ2       LYS  28  -0.042  -2.618 -16.396
  227   3HZ   LYS  28          HZ3       LYS  28   0.530  -1.114 -16.145
  228    H    TYR  29           H        TYR  29   4.272  -4.904 -12.186
  229    HA   TYR  29           HA       TYR  29   6.171  -3.277 -13.735
  230   1HB   TYR  29          HB2       TYR  29   8.119  -4.334 -12.805
  231   2HB   TYR  29          HB3       TYR  29   7.245  -3.563 -11.503
  232    HD1  TYR  29           HD1      TYR  29   8.585  -6.693 -12.790
  233    HD2  TYR  29           HD2      TYR  29   5.880  -5.006  -9.878
  234    HE1  TYR  29           HE1      TYR  29   8.656  -8.804 -11.513
  235    HE2  TYR  29           HE2      TYR  29   5.944  -7.121  -8.593
  236    HH   TYR  29           HH       TYR  29   7.917  -9.949  -9.617
  237    H    TYR  30           H        TYR  30   7.432  -4.723 -15.252
  238    HA   TYR  30           HA       TYR  30   5.763  -7.025 -16.104
  239   1HB   TYR  30          HB2       TYR  30   6.385  -5.215 -17.737
  240   2HB   TYR  30          HB3       TYR  30   8.067  -5.705 -17.567
  241    HD1  TYR  30           HD1      TYR  30   8.892  -7.392 -19.047
  242    HD2  TYR  30           HD2      TYR  30   4.652  -7.091 -18.332
  243    HE1  TYR  30           HE1      TYR  30   8.484  -9.085 -20.802
  244    HE2  TYR  30           HE2      TYR  30   4.228  -8.789 -20.083
  245    HH   TYR  30           HH       TYR  30   6.874 -10.274 -22.010
  246    H    ASP  31           H        ASP  31   6.429  -9.063 -15.611
  247    HA   ASP  31           HA       ASP  31   9.095  -9.413 -14.359
  248   1HB   ASP  31          HB2       ASP  31   7.164 -10.197 -13.086
  249   2HB   ASP  31          HB3       ASP  31   6.669 -11.237 -14.426
  250    H    SER  32           H        SER  32  10.100  -9.072 -16.477
  251    HA   SER  32           HA       SER  32   9.591 -10.356 -18.810
  252   1HB   SER  32          HB2       SER  32  12.401  -9.808 -17.807
  253   2HB   SER  32          HB3       SER  32  11.793  -9.707 -19.469
  254    HG   SER  32           HG       SER  32  12.002  -7.650 -18.454
  255    H    SER  33           H        SER  33  11.235 -11.832 -16.014
  256    HA   SER  33           HA       SER  33  12.378 -14.070 -17.306
  257   1HB   SER  33          HB2       SER  33  11.265 -13.907 -14.480
  258   2HB   SER  33          HB3       SER  33  12.551 -14.973 -15.072
  259    HG   SER  33           HG       SER  33  13.364 -13.125 -13.966
  260    H    LYS  34           H        LYS  34   9.008 -13.375 -16.574
  261    HA   LYS  34           HA       LYS  34   8.249 -16.171 -17.330
  262   1HB   LYS  34          HB2       LYS  34   6.872 -14.310 -15.351
  263   2HB   LYS  34          HB3       LYS  34   6.283 -15.889 -15.858
  264   1HG   LYS  34          HG2       LYS  34   8.878 -15.424 -14.328
  265   2HG   LYS  34          HG3       LYS  34   7.338 -15.923 -13.627
  266   1HD   LYS  34          HD2       LYS  34   7.369 -17.992 -15.016
  267   2HD   LYS  34          HD3       LYS  34   8.960 -17.523 -15.654
  268   1HE   LYS  34          HE2       LYS  34   9.878 -17.504 -13.344
  269   2HE   LYS  34          HE3       LYS  34   8.298 -17.988 -12.714
  270   1HZ   LYS  34          HZ1       LYS  34   9.973 -19.605 -14.550
  271   2HZ   LYS  34          HZ2       LYS  34   9.762 -19.884 -12.960
  272   3HZ   LYS  34          HZ3       LYS  34   8.506 -20.053 -13.981
  273    H    GLY  35           H        GLY  35   7.857 -12.761 -17.998
  274   1HA   GLY  35          HA2       GLY  35   7.121 -11.921 -19.994
  275   2HA   GLY  35          HA3       GLY  35   6.569 -13.526 -20.489
  276    H    TYR  36           H        TYR  36   5.611 -11.677 -17.538
  277    HA   TYR  36           HA       TYR  36   3.151 -10.765 -18.748
  278   1HB   TYR  36          HB2       TYR  36   1.756 -11.723 -16.838
  279   2HB   TYR  36          HB3       TYR  36   2.173 -12.785 -18.159
  280    HD1  TYR  36           HD1      TYR  36   2.787 -14.963 -17.607
  281    HD2  TYR  36           HD2      TYR  36   3.496 -11.814 -14.745
  282    HE1  TYR  36           HE1      TYR  36   3.505 -16.644 -15.947
  283    HE2  TYR  36           HE2      TYR  36   4.267 -13.489 -13.092
  284    HH   TYR  36           HH       TYR  36   4.278 -17.015 -13.775
  285    H    TRP  37           H        TRP  37   1.945  -9.328 -17.122
  286    HA   TRP  37           HA       TRP  37   3.905  -7.758 -15.592
  287   1HB   TRP  37          HB2       TRP  37   0.924  -7.430 -16.054
  288   2HB   TRP  37          HB3       TRP  37   1.909  -6.355 -15.086
  289    HD1  TRP  37           HD1      TRP  37   1.372  -7.350 -18.759
  290    HE1  TRP  37           HE1      TRP  37   2.186  -5.468 -20.272
  291    HE3  TRP  37           HE3      TRP  37   3.597  -4.413 -15.231
  292    HZ2  TRP  37           HZ2      TRP  37   3.568  -2.915 -19.971
  293    HZ3  TRP  37           HZ3      TRP  37   4.643  -2.245 -15.854
  294    HH2  TRP  37           HH2      TRP  37   4.620  -1.486 -18.221
  295    H    VAL  38           H        VAL  38   3.657  -7.406 -13.354
  296    HA   VAL  38           HA       VAL  38   1.979  -9.242 -11.771
  297    HB   VAL  38           HB       VAL  38   4.986  -8.803 -11.430
  298   1HG1  VAL  38          1HG1      VAL  38   4.775 -10.523  -9.592
  299   2HG1  VAL  38          2HG1      VAL  38   4.013  -8.982  -9.230
  300   3HG1  VAL  38          3HG1      VAL  38   3.007 -10.359  -9.707
  301   1HG2  VAL  38          1HG2      VAL  38   3.442 -11.281 -12.277
  302   2HG2  VAL  38          2HG2      VAL  38   4.663 -10.394 -13.202
  303   3HG2  VAL  38          3HG2      VAL  38   5.151 -11.289 -11.767
  304    H    GLY  39           H        GLY  39   1.471  -8.198  -9.668
  305   1HA   GLY  39          HA2       GLY  39   2.720  -5.623  -9.106
  306   2HA   GLY  39          HA3       GLY  39   1.040  -5.495  -9.637
  307    H    ILE  40           H        ILE  40   1.701  -4.518  -7.333
  308    HA   ILE  40           HA       ILE  40   0.443  -6.236  -5.266
  309    HB   ILE  40           HB       ILE  40   2.431  -3.949  -4.819
  310   1HG1  ILE  40          2HG1      ILE  40   2.964  -6.904  -4.313
  311   2HG1  ILE  40          3HG1      ILE  40   3.615  -5.984  -5.667
  312   1HG2  ILE  40          1HG2      ILE  40   2.244  -4.502  -2.437
  313   2HG2  ILE  40          2HG2      ILE  40   0.645  -4.193  -3.090
  314   3HG2  ILE  40          3HG2      ILE  40   1.167  -5.866  -2.807
  315   1HD1  ILE  40          1HD1      ILE  40   5.318  -6.127  -3.998
  316   2HD1  ILE  40          2HD1      ILE  40   4.753  -4.447  -4.053
  317   3HD1  ILE  40          3HD1      ILE  40   4.241  -5.526  -2.730
  318    H    TYR  41           H        TYR  41  -1.634  -5.369  -5.120
  319    HA   TYR  41           HA       TYR  41  -2.021  -2.551  -6.040
  320   1HB   TYR  41          HB2       TYR  41  -2.378  -4.916  -7.593
  321   2HB   TYR  41          HB3       TYR  41  -3.984  -4.464  -7.094
  322    HD1  TYR  41           HD1      TYR  41  -1.818  -4.199  -9.722
  323    HD2  TYR  41           HD2      TYR  41  -4.211  -1.620  -7.239
  324    HE1  TYR  41           HE1      TYR  41  -2.092  -2.618 -11.618
  325    HE2  TYR  41           HE2      TYR  41  -4.432  -0.016  -9.122
  326    HH   TYR  41           HH       TYR  41  -3.741   0.529 -11.235
  327    H    GLU  42           H        GLU  42  -3.662  -1.496  -4.919
  328    HA   GLU  42           HA       GLU  42  -5.295  -3.151  -3.067
  329   1HB   GLU  42          HB2       GLU  42  -3.729  -1.185  -2.271
  330   2HB   GLU  42          HB3       GLU  42  -5.009  -0.143  -2.878
  331   1HG   GLU  42          HG2       GLU  42  -6.643  -1.354  -1.399
  332   2HG   GLU  42          HG3       GLU  42  -5.322  -2.360  -0.813
  333    H    VAL  43           H        VAL  43  -5.741  -2.998  -5.973
  334    HA   VAL  43           HA       VAL  43  -8.544  -2.552  -5.701
  335    HB   VAL  43           HB       VAL  43  -8.128  -0.282  -6.316
  336   1HG1  VAL  43          1HG1      VAL  43  -6.690  -1.133  -8.826
  337   2HG1  VAL  43          2HG1      VAL  43  -7.175   0.507  -8.376
  338   3HG1  VAL  43          3HG1      VAL  43  -5.993  -0.334  -7.388
  339   1HG2  VAL  43          1HG2      VAL  43  -9.529  -0.031  -8.248
  340   2HG2  VAL  43          2HG2      VAL  43  -9.201  -1.686  -8.783
  341   3HG2  VAL  43          3HG2      VAL  43 -10.117  -1.406  -7.287
  342    H    TRP  44           H        TRP  44  -5.993  -3.091  -8.235
  343    HA   TRP  44           HA       TRP  44  -7.715  -4.244 -10.016
  344   1HB   TRP  44          HB2       TRP  44  -5.413  -3.468 -10.510
  345   2HB   TRP  44          HB3       TRP  44  -4.770  -4.894  -9.695
  346    HD1  TRP  44           HD1      TRP  44  -7.657  -4.977 -12.281
  347    HE1  TRP  44           HE1      TRP  44  -6.958  -6.366 -14.287
  348    HE3  TRP  44           HE3      TRP  44  -2.738  -5.691 -11.061
  349    HZ2  TRP  44           HZ2      TRP  44  -4.513  -7.547 -15.319
  350    HZ3  TRP  44           HZ3      TRP  44  -1.212  -6.843 -12.635
  351    HH2  TRP  44           HH2      TRP  44  -2.078  -7.762 -14.768
  352    H    ASP  45           H        ASP  45  -8.324  -6.282 -10.634
  353    HA   ASP  45           HA       ASP  45  -8.124  -8.416  -8.569
  354   1HB   ASP  45          HB2       ASP  45 -10.163  -6.782  -8.567
  355   2HB   ASP  45          HB3       ASP  45 -10.675  -7.623 -10.025
  356    H    ARG  46           H        ARG  46  -6.735  -8.145 -11.140
  357    HA   ARG  46           HA       ARG  46  -6.187  -9.219 -13.015
  358   1HB   ARG  46          HB2       ARG  46  -6.515 -11.215 -11.276
  359   2HB   ARG  46          HB3       ARG  46  -7.835 -11.656 -12.360
  360   1HG   ARG  46          HG2       ARG  46  -6.172 -11.682 -14.269
  361   2HG   ARG  46          HG3       ARG  46  -4.899 -11.273 -13.105
  362   1HD   ARG  46          HD2       ARG  46  -5.501 -13.366 -11.822
  363   2HD   ARG  46          HD3       ARG  46  -6.625 -13.785 -13.120
  364    HE   ARG  46           HE       ARG  46  -3.665 -13.386 -13.449
  365   1HH1  ARG  46          1HH1      ARG  46  -6.564 -15.241 -14.372
  366   2HH1  ARG  46          2HH1      ARG  46  -5.703 -16.282 -15.444
  367   1HH2  ARG  46          1HH2      ARG  46  -2.556 -14.739 -14.802
  368   2HH2  ARG  46          2HH2      ARG  46  -3.349 -15.985 -15.703
  369    H    LYS  47           H        LYS  47  -8.920  -7.781 -12.743
  370    HA   LYS  47           HA       LYS  47 -10.557  -8.729 -14.907
  371   1HB   LYS  47          HB2       LYS  47 -11.347  -7.104 -13.169
  372   2HB   LYS  47          HB3       LYS  47 -10.169  -5.928 -13.741
  373   1HG   LYS  47          HG2       LYS  47 -12.384  -5.391 -14.586
  374   2HG   LYS  47          HG3       LYS  47 -11.286  -5.760 -15.907
  375   1HD   LYS  47          HD2       LYS  47 -13.501  -6.698 -16.312
  376   2HD   LYS  47          HD3       LYS  47 -12.310  -7.992 -16.177
  377   1HE   LYS  47          HE2       LYS  47 -13.015  -8.400 -13.825
  378   2HE   LYS  47          HE3       LYS  47 -14.176  -7.070 -13.940
  379   1HZ   LYS  47          HZ1       LYS  47 -14.270  -9.557 -15.552
  380   2HZ   LYS  47          HZ2       LYS  47 -15.237  -9.207 -14.290
  381   3HZ   LYS  47          HZ3       LYS  47 -15.344  -8.328 -15.655
  Start of MODEL   15
    1   1H    ALA   1          H1        ALA   1  -6.411  -2.886   2.000
    2   2H    ALA   1          H2        ALA   1  -7.727  -3.845   1.797
    3   3H    ALA   1          H3        ALA   1  -7.162  -3.536   3.314
    4    HA   ALA   1           HA       ALA   1  -5.126  -4.684   2.855
    5   1HB   ALA   1          HB1       ALA   1  -6.940  -6.014   3.845
    6   2HB   ALA   1          HB2       ALA   1  -7.594  -6.370   2.230
    7   3HB   ALA   1          HB3       ALA   1  -5.999  -6.991   2.705
    8    H    ILE   2           H        ILE   2  -3.616  -4.808   1.297
    9    HA   ILE   2           HA       ILE   2  -4.135  -4.623  -1.502
   10    HB   ILE   2           HB       ILE   2  -1.734  -5.469  -1.692
   11   1HG1  ILE   2          2HG1      ILE   2  -1.654  -5.122   1.333
   12   2HG1  ILE   2          3HG1      ILE   2  -1.769  -6.696   0.541
   13   1HG2  ILE   2          1HG2      ILE   2  -0.806  -3.308  -0.867
   14   2HG2  ILE   2          2HG2      ILE   2  -2.268  -3.141  -1.819
   15   3HG2  ILE   2          3HG2      ILE   2  -2.348  -2.985  -0.046
   16   1HD1  ILE   2          1HD1      ILE   2   0.536  -6.241   1.129
   17   2HD1  ILE   2          2HD1      ILE   2   0.368  -6.279  -0.635
   18   3HD1  ILE   2          3HD1      ILE   2   0.529  -4.723   0.220
   19    H    LYS   3           H        LYS   3  -3.597  -6.155  -3.111
   20    HA   LYS   3           HA       LYS   3  -3.845  -9.041  -2.503
   21   1HB   LYS   3          HB2       LYS   3  -5.265  -7.418  -4.680
   22   2HB   LYS   3          HB3       LYS   3  -5.074  -9.174  -4.745
   23   1HG   LYS   3          HG2       LYS   3  -6.361  -9.459  -2.687
   24   2HG   LYS   3          HG3       LYS   3  -6.476  -7.713  -2.464
   25   1HD   LYS   3          HD2       LYS   3  -8.562  -8.636  -3.314
   26   2HD   LYS   3          HD3       LYS   3  -7.860  -7.474  -4.448
   27   1HE   LYS   3          HE2       LYS   3  -7.088  -9.243  -5.912
   28   2HE   LYS   3          HE3       LYS   3  -7.502 -10.491  -4.727
   29   1HZ   LYS   3          HZ1       LYS   3  -9.516  -8.730  -5.991
   30   2HZ   LYS   3          HZ2       LYS   3  -9.138 -10.217  -6.557
   31   3HZ   LYS   3          HZ3       LYS   3  -9.806 -10.049  -5.068
   32    H    LEU   4           H        LEU   4  -2.914 -10.234  -4.450
   33    HA   LEU   4           HA       LEU   4  -0.687  -8.736  -5.753
   34   1HB   LEU   4          HB2       LEU   4  -0.621 -11.585  -4.665
   35   2HB   LEU   4          HB3       LEU   4   0.660 -10.796  -5.579
   36    HG   LEU   4           HG       LEU   4  -0.304  -9.993  -2.795
   37   1HD1  LEU   4          1HD1      LEU   4   1.869 -10.836  -2.037
   38   2HD1  LEU   4          2HD1      LEU   4   0.949 -12.115  -2.841
   39   3HD1  LEU   4          3HD1      LEU   4   2.288 -11.317  -3.697
   40   1HD2  LEU   4          1HD2      LEU   4   0.500  -8.003  -3.927
   41   2HD2  LEU   4          2HD2      LEU   4   1.724  -8.522  -2.772
   42   3HD2  LEU   4          3HD2      LEU   4   1.947  -8.856  -4.507
   43    H    VAL   5           H        VAL   5  -0.509  -9.216  -7.946
   44    HA   VAL   5           HA       VAL   5  -2.496 -11.107  -9.103
   45    HB   VAL   5           HB       VAL   5  -2.192  -8.176  -9.886
   46   1HG1  VAL   5          1HG1      VAL   5  -4.307  -8.627 -11.187
   47   2HG1  VAL   5          2HG1      VAL   5  -2.923  -9.530 -11.783
   48   3HG1  VAL   5          3HG1      VAL   5  -4.142 -10.347 -10.780
   49   1HG2  VAL   5          1HG2      VAL   5  -3.335  -8.198  -7.727
   50   2HG2  VAL   5          2HG2      VAL   5  -4.484  -7.830  -9.003
   51   3HG2  VAL   5          3HG2      VAL   5  -4.453  -9.462  -8.300
   52    H    GLN   6           H        GLN   6  -1.934 -11.823 -11.196
   53    HA   GLN   6           HA       GLN   6   0.530 -10.862 -12.463
   54   1HB   GLN   6          HB2       GLN   6   0.033 -13.826 -11.907
   55   2HB   GLN   6          HB3       GLN   6   1.381 -13.118 -12.797
   56   1HG   GLN   6          HG2       GLN   6   2.055 -11.953 -10.648
   57   2HG   GLN   6          HG3       GLN   6   0.824 -12.888  -9.809
   58   1HE2  GLN   6          2HE2      GLN   6   4.074 -12.848 -10.259
   59   2HE2  GLN   6          1HE2      GLN   6   4.412 -14.559 -10.240
   60    H    SER   7           H        SER   7  -0.172 -10.405 -14.549
   61    HA   SER   7           HA       SER   7  -1.883 -12.288 -15.990
   62   1HB   SER   7          HB2       SER   7  -2.809  -9.404 -15.666
   63   2HB   SER   7          HB3       SER   7  -3.622 -10.694 -16.547
   64    HG   SER   7           HG       SER   7  -4.580 -10.271 -14.610
   65    HA   PRO   8           HA       PRO   8   0.657 -10.452 -19.152
   66   1HB   PRO   8          HB2       PRO   8  -0.703 -11.017 -21.473
   67   2HB   PRO   8          HB3       PRO   8   0.171 -12.242 -20.504
   68   1HG   PRO   8          HG2       PRO   8  -2.792 -11.596 -20.456
   69   2HG   PRO   8          HG3       PRO   8  -2.009 -13.206 -20.554
   70   1HD   PRO   8          HD2       PRO   8  -2.909 -12.192 -18.194
   71   2HD   PRO   8          HD3       PRO   8  -1.402 -13.152 -18.272
   72    H    ASN   9           H        ASN   9  -2.766  -9.475 -18.983
   73    HA   ASN   9           HA       ASN   9  -2.538  -7.347 -20.871
   74   1HB   ASN   9          HB2       ASN   9  -4.737  -6.662 -20.180
   75   2HB   ASN   9          HB3       ASN   9  -4.694  -8.408 -20.341
   76   1HD2  ASN   9          2HD2      ASN   9  -5.351  -9.647 -18.512
   77   2HD2  ASN   9          1HD2      ASN   9  -5.602  -8.947 -16.924
   78    H    GLY  10           H        GLY  10  -1.863  -7.430 -17.393
   79   1HA   GLY  10          HA2       GLY  10  -1.115  -5.843 -15.930
   80   2HA   GLY  10          HA3       GLY  10  -0.308  -5.151 -17.343
   81    H    ASN  11           H        ASN  11  -3.856  -5.202 -17.022
   82    HA   ASN  11           HA       ASN  11  -4.079  -2.529 -17.844
   83   1HB   ASN  11          HB2       ASN  11  -5.877  -4.121 -18.165
   84   2HB   ASN  11          HB3       ASN  11  -6.032  -4.357 -16.423
   85   1HD2  ASN  11          2HD2      ASN  11  -8.036  -3.523 -15.926
   86   2HD2  ASN  11          1HD2      ASN  11  -8.576  -1.901 -16.360
   87    H    PHE  12           H        PHE  12  -3.265  -0.838 -16.730
   88    HA   PHE  12           HA       PHE  12  -3.187  -0.594 -13.877
   89   1HB   PHE  12          HB2       PHE  12  -1.607   0.628 -15.159
   90   2HB   PHE  12          HB3       PHE  12  -2.840   1.302 -16.210
   91    HD1  PHE  12           HD1      PHE  12  -1.494   1.449 -12.703
   92    HD2  PHE  12           HD2      PHE  12  -3.853   3.391 -15.754
   93    HE1  PHE  12           HE1      PHE  12  -1.560   3.523 -11.345
   94    HE2  PHE  12           HE2      PHE  12  -3.888   5.467 -14.403
   95    HZ   PHE  12           HZ       PHE  12  -2.745   5.538 -12.192
   96    H    ALA  13           H        ALA  13  -4.935  -0.362 -12.598
   97    HA   ALA  13           HA       ALA  13  -7.489   0.562 -13.739
   98   1HB   ALA  13          HB1       ALA  13  -8.449  -0.441 -11.714
   99   2HB   ALA  13          HB2       ALA  13  -7.360  -1.581 -12.525
  100   3HB   ALA  13          HB3       ALA  13  -6.823  -0.722 -11.061
  101    H    ALA  14           H        ALA  14  -5.013   2.075 -12.020
  102    HA   ALA  14           HA       ALA  14  -4.698   3.775 -10.652
  103   1HB   ALA  14          HB1       ALA  14  -5.989   5.801 -10.954
  104   2HB   ALA  14          HB2       ALA  14  -5.670   5.036 -12.521
  105   3HB   ALA  14          HB3       ALA  14  -7.279   4.907 -11.785
  106    H    SER  15           H        SER  15  -8.310   3.508 -10.267
  107    HA   SER  15           HA       SER  15  -8.097   2.642  -7.552
  108   1HB   SER  15          HB2       SER  15  -9.158   4.742  -6.562
  109   2HB   SER  15          HB3       SER  15  -7.449   4.862  -6.976
  110    HG   SER  15           HG       SER  15  -8.016   5.952  -8.878
  111    H    PHE  16           H        PHE  16 -10.290   2.639  -6.472
  112    HA   PHE  16           HA       PHE  16 -12.662   2.867  -8.124
  113   1HB   PHE  16          HB2       PHE  16 -11.622   0.660  -8.831
  114   2HB   PHE  16          HB3       PHE  16 -11.730   0.131  -7.158
  115    HD1  PHE  16           HD1      PHE  16 -13.410  -1.453  -6.833
  116    HD2  PHE  16           HD2      PHE  16 -14.063   1.720  -9.690
  117    HE1  PHE  16           HE1      PHE  16 -15.651  -2.378  -7.356
  118    HE2  PHE  16           HE2      PHE  16 -16.309   0.796 -10.193
  119    HZ   PHE  16           HZ       PHE  16 -17.107  -1.253  -9.029
  120    H    VAL  17           H        VAL  17 -14.572   1.896  -6.670
  121    HA   VAL  17           HA       VAL  17 -13.973   1.946  -3.798
  122    HB   VAL  17           HB       VAL  17 -16.183   3.642  -5.046
  123   1HG1  VAL  17          1HG1      VAL  17 -16.843   2.662  -2.861
  124   2HG1  VAL  17          2HG1      VAL  17 -15.362   3.310  -2.122
  125   3HG1  VAL  17          3HG1      VAL  17 -16.613   4.407  -2.739
  126   1HG2  VAL  17          1HG2      VAL  17 -14.986   5.589  -4.056
  127   2HG2  VAL  17          2HG2      VAL  17 -13.644   4.519  -3.601
  128   3HG2  VAL  17          3HG2      VAL  17 -14.033   4.801  -5.312
  129    H    LEU  18           H        LEU  18 -15.149   0.337  -2.798
  130    HA   LEU  18           HA       LEU  18 -17.284  -1.094  -4.279
  131   1HB   LEU  18          HB2       LEU  18 -14.915  -1.964  -4.842
  132   2HB   LEU  18          HB3       LEU  18 -14.823  -2.505  -3.175
  133    HG   LEU  18           HG       LEU  18 -16.867  -3.434  -5.227
  134   1HD1  LEU  18          1HD1      LEU  18 -14.550  -4.159  -5.709
  135   2HD1  LEU  18          2HD1      LEU  18 -14.408  -4.820  -4.068
  136   3HD1  LEU  18          3HD1      LEU  18 -15.559  -5.525  -5.224
  137   1HD2  LEU  18          1HD2      LEU  18 -16.370  -4.350  -2.359
  138   2HD2  LEU  18          2HD2      LEU  18 -17.890  -3.751  -3.069
  139   3HD2  LEU  18          3HD2      LEU  18 -17.259  -5.311  -3.561
  140    H    ASP  19           H        ASP  19 -18.856  -1.342  -2.814
  141    HA   ASP  19           HA       ASP  19 -20.017  -1.253  -0.905
  142   1HB   ASP  19          HB2       ASP  19 -19.334  -3.602  -1.039
  143   2HB   ASP  19          HB3       ASP  19 -17.932  -3.266  -0.019
  144    H    GLY  20           H        GLY  20 -18.487   0.965  -1.058
  145   1HA   GLY  20          HA2       GLY  20 -18.121   2.803   0.243
  146   2HA   GLY  20          HA3       GLY  20 -18.531   1.849   1.674
  147    H    THR  21           H        THR  21 -16.007   0.274   0.002
  148    HA   THR  21           HA       THR  21 -13.910   1.519   1.728
  149    HB   THR  21           HB       THR  21 -13.996  -1.175   0.293
  150    HG1  THR  21           HG1      THR  21 -15.487  -1.012   2.002
  151   1HG2  THR  21          1HG2      THR  21 -12.101  -1.764   1.784
  152   2HG2  THR  21          2HG2      THR  21 -11.689  -0.455   0.677
  153   3HG2  THR  21          3HG2      THR  21 -12.052  -0.087   2.379
  154    H    LYS  22           H        LYS  22 -12.168   2.515   0.649
  155    HA   LYS  22           HA       LYS  22 -12.418   2.832  -2.288
  156   1HB   LYS  22          HB2       LYS  22 -12.091   4.830  -0.850
  157   2HB   LYS  22          HB3       LYS  22 -10.532   4.187  -0.309
  158   1HG   LYS  22          HG2       LYS  22  -9.625   4.337  -2.570
  159   2HG   LYS  22          HG3       LYS  22 -11.220   4.743  -3.232
  160   1HD   LYS  22          HD2       LYS  22 -11.211   6.862  -1.950
  161   2HD   LYS  22          HD3       LYS  22  -9.613   6.453  -1.283
  162   1HE   LYS  22          HE2       LYS  22  -8.667   6.396  -3.577
  163   2HE   LYS  22          HE3       LYS  22 -10.259   6.765  -4.254
  164   1HZ   LYS  22          HZ1       LYS  22  -8.712   8.565  -2.475
  165   2HZ   LYS  22          HZ2       LYS  22  -8.890   8.745  -4.085
  166   3HZ   LYS  22          HZ3       LYS  22 -10.182   8.902  -3.109
  167    H    TRP  23           H        TRP  23 -10.688   2.334  -3.678
  168    HA   TRP  23           HA       TRP  23  -8.673   0.354  -2.759
  169   1HB   TRP  23          HB2       TRP  23 -10.773   0.143  -4.967
  170   2HB   TRP  23          HB3       TRP  23  -9.452  -0.967  -4.807
  171    HD1  TRP  23           HD1      TRP  23 -12.713  -0.035  -3.179
  172    HE1  TRP  23           HE1      TRP  23 -13.509  -1.857  -1.591
  173    HE3  TRP  23           HE3      TRP  23  -8.657  -3.147  -3.433
  174    HZ2  TRP  23           HZ2      TRP  23 -12.481  -4.352  -0.506
  175    HZ3  TRP  23           HZ3      TRP  23  -8.593  -5.239  -2.131
  176    HH2  TRP  23           HH2      TRP  23 -10.500  -5.860  -0.662
  177    H    ILE  24           H        ILE  24  -6.709   0.534  -4.066
  178    HA   ILE  24           HA       ILE  24  -6.527   2.623  -6.093
  179    HB   ILE  24           HB       ILE  24  -6.684   3.875  -3.985
  180   1HG1  ILE  24          2HG1      ILE  24  -3.886   4.158  -5.132
  181   2HG1  ILE  24          3HG1      ILE  24  -5.352   4.689  -5.961
  182   1HG2  ILE  24          1HG2      ILE  24  -5.653   2.202  -2.450
  183   2HG2  ILE  24          2HG2      ILE  24  -4.064   2.559  -3.155
  184   3HG2  ILE  24          3HG2      ILE  24  -4.958   3.807  -2.265
  185   1HD1  ILE  24          1HD1      ILE  24  -4.348   6.579  -4.856
  186   2HD1  ILE  24          2HD1      ILE  24  -5.870   6.193  -4.029
  187   3HD1  ILE  24          3HD1      ILE  24  -4.309   5.737  -3.300
  188    H    PHE  25           H        PHE  25  -4.457   2.757  -7.096
  189    HA   PHE  25           HA       PHE  25  -2.904   0.418  -7.417
  190   1HB   PHE  25          HB2       PHE  25  -3.079   2.173  -9.089
  191   2HB   PHE  25          HB3       PHE  25  -2.456   3.372  -7.970
  192    HD1  PHE  25           HD1      PHE  25  -0.401   4.197  -8.701
  193    HD2  PHE  25           HD2      PHE  25  -1.202  -0.022  -9.107
  194    HE1  PHE  25           HE1      PHE  25   1.853   3.851  -9.668
  195    HE2  PHE  25           HE2      PHE  25   1.017  -0.352 -10.100
  196    HZ   PHE  25           HZ       PHE  25   2.572   1.580 -10.385
  197    H    LYS  26           H        LYS  26  -0.679  -0.022  -6.854
  198    HA   LYS  26           HA       LYS  26   0.554   1.727  -4.869
  199   1HB   LYS  26          HB2       LYS  26  -0.628   0.030  -3.533
  200   2HB   LYS  26          HB3       LYS  26   0.310  -1.253  -4.272
  201   1HG   LYS  26          HG2       LYS  26   1.714   1.080  -2.949
  202   2HG   LYS  26          HG3       LYS  26   0.987  -0.169  -1.940
  203   1HD   LYS  26          HD2       LYS  26   2.450  -1.842  -2.629
  204   2HD   LYS  26          HD3       LYS  26   2.813  -1.051  -4.157
  205   1HE   LYS  26          HE2       LYS  26   3.921   0.819  -2.797
  206   2HE   LYS  26          HE3       LYS  26   3.804  -0.251  -1.393
  207   1HZ   LYS  26          HZ1       LYS  26   5.198  -0.875  -3.936
  208   2HZ   LYS  26          HZ2       LYS  26   5.943  -0.411  -2.554
  209   3HZ   LYS  26          HZ3       LYS  26   5.174  -1.849  -2.607
  210    H    SER  27           H        SER  27   1.290  -1.460  -6.595
  211    HA   SER  27           HA       SER  27   3.400  -0.034  -8.090
  212   1HB   SER  27          HB2       SER  27   3.988  -2.441  -6.303
  213   2HB   SER  27          HB3       SER  27   5.117  -1.704  -7.444
  214    HG   SER  27           HG       SER  27   4.980   0.229  -6.199
  215    H    LYS  28           H        LYS  28   4.069  -1.178 -10.000
  216    HA   LYS  28           HA       LYS  28   3.179  -3.898 -10.442
  217   1HB   LYS  28          HB2       LYS  28   1.964  -3.513 -12.497
  218   2HB   LYS  28          HB3       LYS  28   1.181  -2.664 -11.172
  219   1HG   LYS  28          HG2       LYS  28   2.466  -0.554 -11.987
  220   2HG   LYS  28          HG3       LYS  28   2.826  -1.470 -13.443
  221   1HD   LYS  28          HD2       LYS  28   0.047  -0.854 -12.354
  222   2HD   LYS  28          HD3       LYS  28   0.833   0.041 -13.641
  223   1HE   LYS  28          HE2       LYS  28   0.195  -2.945 -13.830
  224   2HE   LYS  28          HE3       LYS  28  -0.932  -1.681 -14.306
  225   1HZ   LYS  28          HZ1       LYS  28   0.781  -0.883 -15.891
  226   2HZ   LYS  28          HZ2       LYS  28   1.684  -2.220 -15.579
  227   3HZ   LYS  28          HZ3       LYS  28   0.171  -2.357 -16.218
  228    H    TYR  29           H        TYR  29   4.355  -4.897 -12.201
  229    HA   TYR  29           HA       TYR  29   6.313  -3.332 -13.693
  230   1HB   TYR  29          HB2       TYR  29   8.253  -4.524 -12.932
  231   2HB   TYR  29          HB3       TYR  29   7.505  -3.756 -11.553
  232    HD1  TYR  29           HD1      TYR  29   8.573  -6.908 -13.035
  233    HD2  TYR  29           HD2      TYR  29   6.219  -5.168  -9.864
  234    HE1  TYR  29           HE1      TYR  29   8.656  -9.052 -11.803
  235    HE2  TYR  29           HE2      TYR  29   6.294  -7.307  -8.626
  236    HH   TYR  29           HH       TYR  29   7.113  -9.499  -8.590
  237    H    TYR  30           H        TYR  30   7.310  -4.689 -15.403
  238    HA   TYR  30           HA       TYR  30   5.563  -6.953 -16.181
  239   1HB   TYR  30          HB2       TYR  30   6.057  -5.155 -17.825
  240   2HB   TYR  30          HB3       TYR  30   7.767  -5.571 -17.742
  241    HD1  TYR  30           HD1      TYR  30   8.597  -7.190 -19.285
  242    HD2  TYR  30           HD2      TYR  30   4.389  -7.109 -18.369
  243    HE1  TYR  30           HE1      TYR  30   8.194  -8.886 -21.039
  244    HE2  TYR  30           HE2      TYR  30   3.964  -8.803 -20.128
  245    HH   TYR  30           HH       TYR  30   6.590 -10.141 -22.185
  246    H    ASP  31           H        ASP  31   6.207  -8.985 -15.687
  247    HA   ASP  31           HA       ASP  31   8.929  -9.422 -14.617
  248   1HB   ASP  31          HB2       ASP  31   7.039 -10.210 -13.279
  249   2HB   ASP  31          HB3       ASP  31   6.471 -11.209 -14.621
  250    H    SER  32           H        SER  32   9.814  -9.026 -16.786
  251    HA   SER  32           HA       SER  32   9.225 -10.305 -19.110
  252   1HB   SER  32          HB2       SER  32  12.068  -9.762 -18.194
  253   2HB   SER  32          HB3       SER  32  11.409  -9.658 -19.836
  254    HG   SER  32           HG       SER  32  11.654  -7.603 -18.836
  255    H    SER  33           H        SER  33  10.971 -11.768 -16.370
  256    HA   SER  33           HA       SER  33  12.093 -13.985 -17.719
  257   1HB   SER  33          HB2       SER  33  11.161 -13.826 -14.830
  258   2HB   SER  33          HB3       SER  33  12.434 -14.862 -15.496
  259    HG   SER  33           HG       SER  33  13.265 -12.977 -14.460
  260    H    LYS  34           H        LYS  34   8.758 -13.345 -16.855
  261    HA   LYS  34           HA       LYS  34   8.033 -16.161 -17.574
  262   1HB   LYS  34          HB2       LYS  34   6.660 -14.327 -15.571
  263   2HB   LYS  34          HB3       LYS  34   6.095 -15.921 -16.063
  264   1HG   LYS  34          HG2       LYS  34   8.712 -15.400 -14.590
  265   2HG   LYS  34          HG3       LYS  34   7.193 -15.901 -13.849
  266   1HD   LYS  34          HD2       LYS  34   7.228 -18.007 -15.203
  267   2HD   LYS  34          HD3       LYS  34   8.766 -17.507 -15.908
  268   1HE   LYS  34          HE2       LYS  34   9.280 -19.051 -14.173
  269   2HE   LYS  34          HE3       LYS  34   9.791 -17.452 -13.633
  270   1HZ   LYS  34          HZ1       LYS  34   7.766 -17.351 -12.278
  271   2HZ   LYS  34          HZ2       LYS  34   7.303 -18.835 -12.795
  272   3HZ   LYS  34          HZ3       LYS  34   8.644 -18.668 -11.892
  273    H    GLY  35           H        GLY  35   7.527 -12.742 -18.178
  274   1HA   GLY  35          HA2       GLY  35   6.799 -11.933 -20.199
  275   2HA   GLY  35          HA3       GLY  35   6.165 -13.522 -20.646
  276    H    TYR  36           H        TYR  36   5.387 -11.614 -17.670
  277    HA   TYR  36           HA       TYR  36   2.879 -10.682 -18.776
  278   1HB   TYR  36          HB2       TYR  36   1.562 -11.656 -16.822
  279   2HB   TYR  36          HB3       TYR  36   1.942 -12.716 -18.155
  280    HD1  TYR  36           HD1      TYR  36   3.410 -11.725 -14.798
  281    HD2  TYR  36           HD2      TYR  36   2.567 -14.888 -17.610
  282    HE1  TYR  36           HE1      TYR  36   4.246 -13.390 -13.173
  283    HE2  TYR  36           HE2      TYR  36   3.347 -16.560 -15.971
  284    HH   TYR  36           HH       TYR  36   4.189 -16.923 -13.827
  285    H    TRP  37           H        TRP  37   1.727  -9.272 -17.089
  286    HA   TRP  37           HA       TRP  37   3.727  -7.682 -15.621
  287   1HB   TRP  37          HB2       TRP  37   0.756  -7.384 -16.153
  288   2HB   TRP  37          HB3       TRP  37   1.603  -6.407 -14.975
  289    HD1  TRP  37           HD1      TRP  37   1.420  -6.937 -18.763
  290    HE1  TRP  37           HE1      TRP  37   2.378  -4.893 -19.947
  291    HE3  TRP  37           HE3      TRP  37   3.196  -4.435 -14.678
  292    HZ2  TRP  37           HZ2      TRP  37   3.772  -2.445 -19.207
  293    HZ3  TRP  37           HZ3      TRP  37   4.387  -2.262 -14.950
  294    HH2  TRP  37           HH2      TRP  37   4.661  -1.260 -17.203
  295    H    VAL  38           H        VAL  38   3.546  -7.319 -13.405
  296    HA   VAL  38           HA       VAL  38   1.930  -9.148 -11.752
  297    HB   VAL  38           HB       VAL  38   4.936  -8.637 -11.505
  298   1HG1  VAL  38          1HG1      VAL  38   4.819 -10.341  -9.638
  299   2HG1  VAL  38          2HG1      VAL  38   4.055  -8.800  -9.271
  300   3HG1  VAL  38          3HG1      VAL  38   3.047 -10.195  -9.688
  301   1HG2  VAL  38          1HG2      VAL  38   3.421 -11.166 -12.257
  302   2HG2  VAL  38          2HG2      VAL  38   4.584 -10.268 -13.241
  303   3HG2  VAL  38          3HG2      VAL  38   5.148 -11.123 -11.810
  304    H    GLY  39           H        GLY  39   1.519  -8.095  -9.610
  305   1HA   GLY  39          HA2       GLY  39   2.788  -5.552  -9.086
  306   2HA   GLY  39          HA3       GLY  39   1.100  -5.354  -9.574
  307    H    ILE  40           H        ILE  40   1.844  -4.438  -7.268
  308    HA   ILE  40           HA       ILE  40   0.625  -6.185  -5.197
  309    HB   ILE  40           HB       ILE  40   2.557  -3.851  -4.757
  310   1HG1  ILE  40          2HG1      ILE  40   3.160  -6.811  -4.356
  311   2HG1  ILE  40          3HG1      ILE  40   3.794  -5.815  -5.665
  312   1HG2  ILE  40          1HG2      ILE  40   1.375  -5.855  -2.782
  313   2HG2  ILE  40          2HG2      ILE  40   2.415  -4.473  -2.380
  314   3HG2  ILE  40          3HG2      ILE  40   0.799  -4.191  -3.009
  315   1HD1  ILE  40          1HD1      ILE  40   5.498  -5.999  -4.001
  316   2HD1  ILE  40          2HD1      ILE  40   4.897  -4.330  -3.979
  317   3HD1  ILE  40          3HD1      ILE  40   4.409  -5.480  -2.709
  318    H    TYR  41           H        TYR  41  -1.455  -5.400  -5.002
  319    HA   TYR  41           HA       TYR  41  -1.983  -2.617  -5.944
  320   1HB   TYR  41          HB2       TYR  41  -2.256  -5.084  -7.439
  321   2HB   TYR  41          HB3       TYR  41  -3.863  -4.548  -7.030
  322    HD1  TYR  41           HD1      TYR  41  -4.180  -1.852  -7.345
  323    HD2  TYR  41           HD2      TYR  41  -1.380  -4.324  -9.486
  324    HE1  TYR  41           HE1      TYR  41  -4.259  -0.273  -9.260
  325    HE2  TYR  41           HE2      TYR  41  -1.461  -2.758 -11.407
  326    HH   TYR  41           HH       TYR  41  -3.281   0.329 -11.242
  327    H    GLU  42           H        GLU  42  -3.749  -1.668  -4.907
  328    HA   GLU  42           HA       GLU  42  -5.396  -3.456  -3.187
  329   1HB   GLU  42          HB2       GLU  42  -3.905  -1.710  -2.046
  330   2HB   GLU  42          HB3       GLU  42  -4.940  -0.475  -2.747
  331   1HG   GLU  42          HG2       GLU  42  -6.864  -1.291  -1.509
  332   2HG   GLU  42          HG3       GLU  42  -6.021  -2.778  -1.089
  333    H    VAL  43           H        VAL  43  -5.787  -3.249  -6.006
  334    HA   VAL  43           HA       VAL  43  -8.551  -2.666  -5.865
  335    HB   VAL  43           HB       VAL  43  -8.005  -0.370  -6.318
  336   1HG1  VAL  43          1HG1      VAL  43  -6.508  -1.194  -8.806
  337   2HG1  VAL  43          2HG1      VAL  43  -6.944   0.461  -8.339
  338   3HG1  VAL  43          3HG1      VAL  43  -5.837  -0.454  -7.328
  339   1HG2  VAL  43          1HG2      VAL  43 -10.003  -1.357  -7.424
  340   2HG2  VAL  43          2HG2      VAL  43  -9.341   0.081  -8.234
  341   3HG2  VAL  43          3HG2      VAL  43  -9.049  -1.530  -8.910
  342    H    TRP  44           H        TRP  44  -5.809  -3.326  -8.121
  343    HA   TRP  44           HA       TRP  44  -7.444  -4.508 -10.086
  344   1HB   TRP  44          HB2       TRP  44  -5.080  -3.580 -10.278
  345   2HB   TRP  44          HB3       TRP  44  -4.513  -5.087  -9.559
  346    HD1  TRP  44           HD1      TRP  44  -7.138  -4.697 -12.398
  347    HE1  TRP  44           HE1      TRP  44  -6.284  -5.779 -14.499
  348    HE3  TRP  44           HE3      TRP  44  -2.448  -5.927 -10.771
  349    HZ2  TRP  44           HZ2      TRP  44  -3.874  -7.240 -15.346
  350    HZ3  TRP  44           HZ3      TRP  44  -0.867  -7.115 -12.264
  351    HH2  TRP  44           HH2      TRP  44  -1.574  -7.800 -14.541
  352    H    ASP  45           H        ASP  45  -7.343  -6.800 -10.797
  353    HA   ASP  45           HA       ASP  45  -7.201  -8.791  -8.580
  354   1HB   ASP  45          HB2       ASP  45  -9.501  -8.059  -8.509
  355   2HB   ASP  45          HB3       ASP  45  -9.651  -8.174 -10.266
  356    H    ARG  46           H        ARG  46  -7.660  -8.215 -12.096
  357    HA   ARG  46           HA       ARG  46  -5.622  -9.998 -12.789
  358   1HB   ARG  46          HB2       ARG  46  -8.251 -11.309 -12.543
  359   2HB   ARG  46          HB3       ARG  46  -7.640 -11.441 -14.176
  360   1HG   ARG  46          HG2       ARG  46  -5.865 -12.768 -13.633
  361   2HG   ARG  46          HG3       ARG  46  -5.616 -12.051 -12.047
  362   1HD   ARG  46          HD2       ARG  46  -7.897 -13.939 -12.732
  363   2HD   ARG  46          HD3       ARG  46  -6.383 -14.393 -11.918
  364    HE   ARG  46           HE       ARG  46  -7.489 -12.222 -10.501
  365   1HH1  ARG  46          2HH1      ARG  46  -8.120 -15.676 -11.031
  366   2HH1  ARG  46          1HH1      ARG  46  -9.048 -15.879  -9.593
  367   1HH2  ARG  46          1HH2      ARG  46  -8.884 -12.436  -8.670
  368   2HH2  ARG  46          2HH2      ARG  46  -9.425 -14.007  -8.183
  369    H    LYS  47           H        LYS  47  -8.603  -8.304 -13.845
  370    HA   LYS  47           HA       LYS  47  -6.991  -7.090 -15.962
  371   1HB   LYS  47          HB2       LYS  47  -8.143  -8.990 -17.095
  372   2HB   LYS  47          HB3       LYS  47  -9.705  -8.364 -16.542
  373   1HG   LYS  47          HG2       LYS  47  -9.334  -6.271 -17.807
  374   2HG   LYS  47          HG3       LYS  47  -7.723  -6.831 -18.293
  375   1HD   LYS  47          HD2       LYS  47  -8.749  -8.738 -19.507
  376   2HD   LYS  47          HD3       LYS  47 -10.365  -8.179 -19.015
  377   1HE   LYS  47          HE2       LYS  47  -9.970  -6.026 -20.198
  378   2HE   LYS  47          HE3       LYS  47  -8.366  -6.586 -20.690
  379   1HZ   LYS  47          HZ1       LYS  47  -9.989  -6.902 -22.444
  380   2HZ   LYS  47          HZ2       LYS  47  -9.448  -8.357 -21.952
  381   3HZ   LYS  47          HZ3       LYS  47 -10.930  -7.836 -21.498
  Start of MODEL   16
    1   1H    ALA   1          H1        ALA   1  -6.063  -2.748   2.145
    2   2H    ALA   1          H2        ALA   1  -7.364  -3.744   2.074
    3   3H    ALA   1          H3        ALA   1  -6.683  -3.388   3.532
    4    HA   ALA   1           HA       ALA   1  -4.667  -4.499   2.938
    5   1HB   ALA   1          HB1       ALA   1  -6.378  -5.869   4.064
    6   2HB   ALA   1          HB2       ALA   1  -7.126  -6.257   2.496
    7   3HB   ALA   1          HB3       ALA   1  -5.488  -6.829   2.870
    8    H    ILE   2           H        ILE   2  -3.256  -4.778   1.297
    9    HA   ILE   2           HA       ILE   2  -3.980  -4.467  -1.441
   10    HB   ILE   2           HB       ILE   2  -1.605  -5.410  -1.828
   11   1HG1  ILE   2          2HG1      ILE   2  -0.015  -5.243  -0.013
   12   2HG1  ILE   2          3HG1      ILE   2  -1.284  -4.936   1.165
   13   1HG2  ILE   2          1HG2      ILE   2  -2.116  -2.868  -0.249
   14   2HG2  ILE   2          2HG2      ILE   2  -0.606  -3.241  -1.106
   15   3HG2  ILE   2          3HG2      ILE   2  -2.104  -3.090  -2.018
   16   1HD1  ILE   2          1HD1      ILE   2  -1.036  -7.517  -0.445
   17   2HD1  ILE   2          2HD1      ILE   2  -0.350  -7.269   1.173
   18   3HD1  ILE   2          3HD1      ILE   2  -2.100  -7.216   0.956
   19    H    LYS   3           H        LYS   3  -3.532  -5.961  -3.156
   20    HA   LYS   3           HA       LYS   3  -3.987  -8.843  -2.635
   21   1HB   LYS   3          HB2       LYS   3  -5.163  -7.059  -4.830
   22   2HB   LYS   3          HB3       LYS   3  -5.223  -8.819  -4.852
   23   1HG   LYS   3          HG2       LYS   3  -6.705  -8.919  -2.978
   24   2HG   LYS   3          HG3       LYS   3  -6.410  -7.240  -2.537
   25   1HD   LYS   3          HD2       LYS   3  -8.608  -7.445  -3.551
   26   2HD   LYS   3          HD3       LYS   3  -7.548  -6.411  -4.494
   27   1HE   LYS   3          HE2       LYS   3  -8.809  -7.728  -6.019
   28   2HE   LYS   3          HE3       LYS   3  -7.141  -8.277  -6.102
   29   1HZ   LYS   3          HZ1       LYS   3  -8.814 -10.069  -6.059
   30   2HZ   LYS   3          HZ2       LYS   3  -7.761 -10.215  -4.806
   31   3HZ   LYS   3          HZ3       LYS   3  -9.277  -9.644  -4.553
   32    H    LEU   4           H        LEU   4  -3.051 -10.053  -4.566
   33    HA   LEU   4           HA       LEU   4  -0.759  -8.630  -5.842
   34   1HB   LEU   4          HB2       LEU   4  -0.787 -11.473  -4.736
   35   2HB   LEU   4          HB3       LEU   4   0.516 -10.743  -5.669
   36    HG   LEU   4           HG       LEU   4  -0.393  -9.861  -2.890
   37   1HD1  LEU   4          1HD1      LEU   4   0.767 -12.037  -2.914
   38   2HD1  LEU   4          2HD1      LEU   4   2.131 -11.312  -3.793
   39   3HD1  LEU   4          3HD1      LEU   4   1.750 -10.788  -2.136
   40   1HD2  LEU   4          1HD2      LEU   4   1.691  -8.477  -2.903
   41   2HD2  LEU   4          2HD2      LEU   4   1.900  -8.854  -4.631
   42   3HD2  LEU   4          3HD2      LEU   4   0.491  -7.928  -4.068
   43    H    VAL   5           H        VAL   5  -0.614  -9.075  -8.035
   44    HA   VAL   5           HA       VAL   5  -2.639 -10.918  -9.194
   45    HB   VAL   5           HB       VAL   5  -2.333  -8.040 -10.122
   46   1HG1  VAL   5          1HG1      VAL   5  -4.545 -10.127 -10.457
   47   2HG1  VAL   5          2HG1      VAL   5  -4.605  -8.464 -11.073
   48   3HG1  VAL   5          3HG1      VAL   5  -3.412  -9.576 -11.719
   49   1HG2  VAL   5          1HG2      VAL   5  -3.144  -7.774  -7.831
   50   2HG2  VAL   5          2HG2      VAL   5  -4.437  -7.449  -8.971
   51   3HG2  VAL   5          3HG2      VAL   5  -4.408  -9.000  -8.107
   52    H    GLN   6           H        GLN   6  -2.166 -11.510 -11.383
   53    HA   GLN   6           HA       GLN   6   0.351 -10.607 -12.602
   54   1HB   GLN   6          HB2       GLN   6  -0.384 -13.556 -12.304
   55   2HB   GLN   6          HB3       GLN   6   1.051 -12.886 -13.078
   56   1HG   GLN   6          HG2       GLN   6   1.772 -12.012 -10.827
   57   2HG   GLN   6          HG3       GLN   6   0.406 -12.846 -10.094
   58   1HE2  GLN   6          2HE2      GLN   6   3.625 -13.186 -10.337
   59   2HE2  GLN   6          1HE2      GLN   6   3.762 -14.919 -10.491
   60    H    SER   7           H        SER   7  -0.032 -10.375 -14.847
   61    HA   SER   7           HA       SER   7  -1.715 -12.148 -16.276
   62   1HB   SER   7          HB2       SER   7  -3.276 -10.180 -15.079
   63   2HB   SER   7          HB3       SER   7  -2.890  -9.426 -16.625
   64    HG   SER   7           HG       SER   7  -4.675 -10.638 -17.004
   65    HA   PRO   8           HA       PRO   8   1.044 -10.289 -19.272
   66   1HB   PRO   8          HB2       PRO   8  -0.118 -10.893 -21.692
   67   2HB   PRO   8          HB3       PRO   8   0.726 -12.088 -20.660
   68   1HG   PRO   8          HG2       PRO   8  -2.253 -11.550 -20.835
   69   2HG   PRO   8          HG3       PRO   8  -1.408 -13.131 -20.868
   70   1HD   PRO   8          HD2       PRO   8  -2.525 -12.147 -18.597
   71   2HD   PRO   8          HD3       PRO   8  -0.984 -13.054 -18.544
   72    H    ASN   9           H        ASN   9  -2.399  -9.397 -19.278
   73    HA   ASN   9           HA       ASN   9  -2.143  -7.225 -21.124
   74   1HB   ASN   9          HB2       ASN   9  -4.281  -8.425 -20.492
   75   2HB   ASN   9          HB3       ASN   9  -4.253  -7.564 -18.950
   76   1HD2  ASN   9          2HD2      ASN   9  -4.553  -7.180 -22.499
   77   2HD2  ASN   9          1HD2      ASN   9  -5.242  -5.581 -22.440
   78    H    GLY  10           H        GLY  10  -1.632  -7.421 -17.613
   79   1HA   GLY  10          HA2       GLY  10  -0.934  -5.897 -16.059
   80   2HA   GLY  10          HA3       GLY  10  -0.177  -5.037 -17.407
   81    H    ASN  11           H        ASN  11  -3.677  -5.539 -16.930
   82    HA   ASN  11           HA       ASN  11  -4.434  -2.992 -17.750
   83   1HB   ASN  11          HB2       ASN  11  -5.974  -4.886 -17.727
   84   2HB   ASN  11          HB3       ASN  11  -5.878  -4.974 -15.973
   85   1HD2  ASN  11          2HD2      ASN  11  -8.214  -4.801 -15.980
   86   2HD2  ASN  11          1HD2      ASN  11  -8.970  -3.214 -16.134
   87    H    PHE  12           H        PHE  12  -3.618  -1.172 -16.815
   88    HA   PHE  12           HA       PHE  12  -3.367  -0.776 -13.970
   89   1HB   PHE  12          HB2       PHE  12  -1.899   0.427 -15.405
   90   2HB   PHE  12          HB3       PHE  12  -3.217   1.031 -16.396
   91    HD1  PHE  12           HD1      PHE  12  -1.700   1.289 -12.961
   92    HD2  PHE  12           HD2      PHE  12  -4.248   3.111 -15.933
   93    HE1  PHE  12           HE1      PHE  12  -1.781   3.377 -11.627
   94    HE2  PHE  12           HE2      PHE  12  -4.303   5.199 -14.602
   95    HZ   PHE  12           HZ       PHE  12  -3.077   5.338 -12.442
   96    H    ALA  13           H        ALA  13  -5.086  -0.579 -12.660
   97    HA   ALA  13           HA       ALA  13  -7.716   0.180 -13.752
   98   1HB   ALA  13          HB1       ALA  13  -6.909  -1.011 -11.070
   99   2HB   ALA  13          HB2       ALA  13  -8.567  -0.822 -11.677
  100   3HB   ALA  13          HB3       ALA  13  -7.448  -1.925 -12.500
  101    H    ALA  14           H        ALA  14  -5.270   1.878 -12.197
  102    HA   ALA  14           HA       ALA  14  -4.988   3.613 -10.860
  103   1HB   ALA  14          HB1       ALA  14  -7.650   4.583 -11.948
  104   2HB   ALA  14          HB2       ALA  14  -6.400   5.564 -11.161
  105   3HB   ALA  14          HB3       ALA  14  -6.063   4.784 -12.717
  106    H    SER  15           H        SER  15  -8.568   3.225 -10.336
  107    HA   SER  15           HA       SER  15  -8.263   2.524  -7.572
  108   1HB   SER  15          HB2       SER  15  -9.332   4.708  -6.736
  109   2HB   SER  15          HB3       SER  15  -7.620   4.770  -7.157
  110    HG   SER  15           HG       SER  15  -8.777   6.549  -8.007
  111    H    PHE  16           H        PHE  16 -10.416   2.546  -6.439
  112    HA   PHE  16           HA       PHE  16 -12.844   2.681  -8.016
  113   1HB   PHE  16          HB2       PHE  16 -11.805   0.457  -8.676
  114   2HB   PHE  16          HB3       PHE  16 -11.851  -0.008  -6.980
  115    HD1  PHE  16           HD1      PHE  16 -14.291   1.474  -9.475
  116    HD2  PHE  16           HD2      PHE  16 -13.494  -1.606  -6.554
  117    HE1  PHE  16           HE1      PHE  16 -16.540   0.510  -9.870
  118    HE2  PHE  16           HE2      PHE  16 -15.740  -2.574  -6.973
  119    HZ   PHE  16           HZ       PHE  16 -17.269  -1.516  -8.623
  120    H    VAL  17           H        VAL  17 -14.694   1.747  -6.464
  121    HA   VAL  17           HA       VAL  17 -13.998   1.900  -3.619
  122    HB   VAL  17           HB       VAL  17 -16.268   3.533  -4.839
  123   1HG1  VAL  17          1HG1      VAL  17 -15.322   3.320  -1.942
  124   2HG1  VAL  17          2HG1      VAL  17 -16.611   4.380  -2.547
  125   3HG1  VAL  17          3HG1      VAL  17 -16.826   2.631  -2.594
  126   1HG2  VAL  17          1HG2      VAL  17 -13.679   4.489  -3.538
  127   2HG2  VAL  17          2HG2      VAL  17 -14.149   4.706  -5.239
  128   3HG2  VAL  17          3HG2      VAL  17 -15.054   5.527  -3.970
  129    H    LEU  18           H        LEU  18 -15.136   0.318  -2.525
  130    HA   LEU  18           HA       LEU  18 -17.304  -1.174  -3.894
  131   1HB   LEU  18          HB2       LEU  18 -14.949  -2.046  -4.501
  132   2HB   LEU  18          HB3       LEU  18 -14.800  -2.531  -2.821
  133    HG   LEU  18           HG       LEU  18 -16.896  -3.544  -4.779
  134   1HD1  LEU  18          1HD1      LEU  18 -14.585  -4.268  -5.299
  135   2HD1  LEU  18          2HD1      LEU  18 -14.394  -4.873  -3.642
  136   3HD1  LEU  18          3HD1      LEU  18 -15.571  -5.625  -4.741
  137   1HD2  LEU  18          1HD2      LEU  18 -17.226  -5.364  -3.039
  138   2HD2  LEU  18          2HD2      LEU  18 -16.311  -4.356  -1.896
  139   3HD2  LEU  18          3HD2      LEU  18 -17.855  -3.792  -2.583
  140    H    ASP  19           H        ASP  19 -18.832  -1.372  -2.373
  141    HA   ASP  19           HA       ASP  19 -19.933  -1.227  -0.432
  142   1HB   ASP  19          HB2       ASP  19 -19.258  -3.581  -0.531
  143   2HB   ASP  19          HB3       ASP  19 -17.826  -3.223   0.439
  144    H    GLY  20           H        GLY  20 -18.396   0.979  -0.690
  145   1HA   GLY  20          HA2       GLY  20 -18.003   2.849   0.559
  146   2HA   GLY  20          HA3       GLY  20 -18.344   1.924   2.027
  147    H    THR  21           H        THR  21 -15.893   0.293   0.328
  148    HA   THR  21           HA       THR  21 -13.731   1.599   1.921
  149    HB   THR  21           HB       THR  21 -13.854  -1.118   0.535
  150    HG1  THR  21           HG1      THR  21 -15.271  -0.936   2.305
  151   1HG2  THR  21          1HG2      THR  21 -11.539  -0.371   0.806
  152   2HG2  THR  21          2HG2      THR  21 -11.832   0.020   2.517
  153   3HG2  THR  21          3HG2      THR  21 -11.891  -1.666   1.951
  154    H    LYS  22           H        LYS  22 -12.053   2.599   0.758
  155    HA   LYS  22           HA       LYS  22 -12.408   2.856  -2.174
  156   1HB   LYS  22          HB2       LYS  22 -12.064   4.887  -0.786
  157   2HB   LYS  22          HB3       LYS  22 -10.480   4.274  -0.280
  158   1HG   LYS  22          HG2       LYS  22  -9.642   4.392  -2.570
  159   2HG   LYS  22          HG3       LYS  22 -11.260   4.771  -3.190
  160   1HD   LYS  22          HD2       LYS  22 -11.238   6.909  -1.940
  161   2HD   LYS  22          HD3       LYS  22  -9.617   6.528  -1.315
  162   1HE   LYS  22          HE2       LYS  22  -8.736   6.452  -3.632
  163   2HE   LYS  22          HE3       LYS  22 -10.351   6.787  -4.270
  164   1HZ   LYS  22          HZ1       LYS  22  -8.785   8.637  -2.562
  165   2HZ   LYS  22          HZ2       LYS  22  -9.007   8.789  -4.168
  166   3HZ   LYS  22          HZ3       LYS  22 -10.276   8.942  -3.161
  167    H    TRP  23           H        TRP  23 -10.718   2.343  -3.612
  168    HA   TRP  23           HA       TRP  23  -8.636   0.425  -2.705
  169   1HB   TRP  23          HB2       TRP  23 -10.793   0.110  -4.846
  170   2HB   TRP  23          HB3       TRP  23  -9.454  -0.980  -4.666
  171    HD1  TRP  23           HD1      TRP  23 -12.703  -0.037  -3.021
  172    HE1  TRP  23           HE1      TRP  23 -13.437  -1.810  -1.352
  173    HE3  TRP  23           HE3      TRP  23  -8.587  -3.070  -3.220
  174    HZ2  TRP  23           HZ2      TRP  23 -12.357  -4.261  -0.219
  175    HZ3  TRP  23           HZ3      TRP  23  -8.466  -5.117  -1.851
  176    HH2  TRP  23           HH2      TRP  23 -10.346  -5.730  -0.345
  177    H    ILE  24           H        ILE  24  -6.727   0.586  -4.083
  178    HA   ILE  24           HA       ILE  24  -6.633   2.606  -6.182
  179    HB   ILE  24           HB       ILE  24  -6.762   3.935  -4.119
  180   1HG1  ILE  24          2HG1      ILE  24  -3.999   4.219  -5.347
  181   2HG1  ILE  24          3HG1      ILE  24  -5.495   4.694  -6.156
  182   1HG2  ILE  24          1HG2      ILE  24  -4.101   2.698  -3.301
  183   2HG2  ILE  24          2HG2      ILE  24  -5.000   3.960  -2.437
  184   3HG2  ILE  24          3HG2      ILE  24  -5.667   2.335  -2.548
  185   1HD1  ILE  24          1HD1      ILE  24  -4.401   5.856  -3.564
  186   2HD1  ILE  24          2HD1      ILE  24  -4.497   6.640  -5.147
  187   3HD1  ILE  24          3HD1      ILE  24  -5.989   6.259  -4.266
  188    H    PHE  25           H        PHE  25  -4.592   2.733  -7.238
  189    HA   PHE  25           HA       PHE  25  -3.025   0.411  -7.534
  190   1HB   PHE  25          HB2       PHE  25  -3.260   2.145  -9.229
  191   2HB   PHE  25          HB3       PHE  25  -2.587   3.354  -8.150
  192    HD1  PHE  25           HD1      PHE  25  -0.543   4.145  -8.923
  193    HD2  PHE  25           HD2      PHE  25  -1.414  -0.061  -9.321
  194    HE1  PHE  25           HE1      PHE  25   1.668   3.774  -9.977
  195    HE2  PHE  25           HE2      PHE  25   0.766  -0.418 -10.394
  196    HZ   PHE  25           HZ       PHE  25   2.334   1.499 -10.723
  197    H    LYS  26           H        LYS  26  -0.785   0.009  -7.049
  198    HA   LYS  26           HA       LYS  26   0.490   1.726  -5.044
  199   1HB   LYS  26          HB2       LYS  26  -0.684  -0.273  -3.905
  200   2HB   LYS  26          HB3       LYS  26   0.579  -1.273  -4.594
  201   1HG   LYS  26          HG2       LYS  26   1.035   1.108  -2.754
  202   2HG   LYS  26          HG3       LYS  26   0.948  -0.580  -2.248
  203   1HD   LYS  26          HD2       LYS  26   2.938  -1.084  -3.725
  204   2HD   LYS  26          HD3       LYS  26   3.046   0.646  -4.074
  205   1HE   LYS  26          HE2       LYS  26   4.645   0.203  -2.389
  206   2HE   LYS  26          HE3       LYS  26   3.336   1.126  -1.653
  207   1HZ   LYS  26          HZ1       LYS  26   3.719  -1.807  -1.406
  208   2HZ   LYS  26          HZ2       LYS  26   4.048  -0.708  -0.256
  209   3HZ   LYS  26          HZ3       LYS  26   2.504  -0.957  -0.703
  210    H    SER  27           H        SER  27   1.214  -1.430  -6.815
  211    HA   SER  27           HA       SER  27   3.293   0.008  -8.359
  212   1HB   SER  27          HB2       SER  27   3.886  -2.412  -6.592
  213   2HB   SER  27          HB3       SER  27   5.017  -1.620  -7.698
  214    HG   SER  27           HG       SER  27   5.370  -0.903  -5.605
  215    H    LYS  28           H        LYS  28   3.993  -1.140 -10.235
  216    HA   LYS  28           HA       LYS  28   3.073  -3.870 -10.670
  217   1HB   LYS  28          HB2       LYS  28   2.243  -3.450 -12.938
  218   2HB   LYS  28          HB3       LYS  28   1.235  -2.687 -11.714
  219   1HG   LYS  28          HG2       LYS  28   2.264  -0.490 -12.200
  220   2HG   LYS  28          HG3       LYS  28   3.313  -1.215 -13.410
  221   1HD   LYS  28          HD2       LYS  28   0.269  -1.345 -13.598
  222   2HD   LYS  28          HD3       LYS  28   1.224   0.007 -14.227
  223   1HE   LYS  28          HE2       LYS  28   2.558  -1.579 -15.609
  224   2HE   LYS  28          HE3       LYS  28   1.525  -2.910 -15.078
  225   1HZ   LYS  28          HZ1       LYS  28   0.934  -1.935 -17.256
  226   2HZ   LYS  28          HZ2       LYS  28  -0.317  -1.918 -16.226
  227   3HZ   LYS  28          HZ3       LYS  28   0.524  -0.531 -16.544
  228    H    TYR  29           H        TYR  29   4.439  -4.983 -12.179
  229    HA   TYR  29           HA       TYR  29   6.628  -3.550 -13.481
  230   1HB   TYR  29          HB2       TYR  29   8.397  -4.830 -12.460
  231   2HB   TYR  29          HB3       TYR  29   7.549  -3.939 -11.219
  232    HD1  TYR  29           HD1      TYR  29   8.455  -7.263 -12.483
  233    HD2  TYR  29           HD2      TYR  29   6.091  -5.143  -9.559
  234    HE1  TYR  29           HE1      TYR  29   8.265  -9.334 -11.142
  235    HE2  TYR  29           HE2      TYR  29   5.900  -7.206  -8.209
  236    HH   TYR  29           HH       TYR  29   6.528  -9.448  -7.998
  237    H    TYR  30           H        TYR  30   7.696  -4.984 -15.070
  238    HA   TYR  30           HA       TYR  30   5.907  -7.181 -15.940
  239   1HB   TYR  30          HB2       TYR  30   6.694  -5.394 -17.537
  240   2HB   TYR  30          HB3       TYR  30   8.322  -6.045 -17.374
  241    HD1  TYR  30           HD1      TYR  30   8.957  -8.031 -18.622
  242    HD2  TYR  30           HD2      TYR  30   4.817  -6.862 -18.374
  243    HE1  TYR  30           HE1      TYR  30   8.386  -9.679 -20.386
  244    HE2  TYR  30           HE2      TYR  30   4.231  -8.497 -20.133
  245    HH   TYR  30           HH       TYR  30   5.042 -10.110 -21.622
  246    H    ASP  31           H        ASP  31   6.399  -9.233 -15.377
  247    HA   ASP  31           HA       ASP  31   9.032  -9.864 -14.173
  248   1HB   ASP  31          HB2       ASP  31   6.984 -10.635 -13.046
  249   2HB   ASP  31          HB3       ASP  31   6.538 -11.584 -14.469
  250    H    SER  32           H        SER  32  10.221  -9.498 -16.138
  251    HA   SER  32           HA       SER  32   9.684 -10.577 -18.623
  252   1HB   SER  32          HB2       SER  32  12.451 -10.251 -17.409
  253   2HB   SER  32          HB3       SER  32  11.993 -10.115 -19.117
  254    HG   SER  32           HG       SER  32  12.236  -8.069 -18.105
  255    H    SER  33           H        SER  33  10.925 -12.313 -15.783
  256    HA   SER  33           HA       SER  33  12.052 -14.527 -17.240
  257   1HB   SER  33          HB2       SER  33  11.096 -14.448 -14.353
  258   2HB   SER  33          HB3       SER  33  12.287 -15.540 -15.071
  259    HG   SER  33           HG       SER  33  13.237 -13.784 -13.903
  260    H    LYS  34           H        LYS  34   8.785 -13.693 -16.123
  261    HA   LYS  34           HA       LYS  34   7.813 -16.408 -16.952
  262   1HB   LYS  34          HB2       LYS  34   6.487 -14.274 -15.249
  263   2HB   LYS  34          HB3       LYS  34   5.800 -15.840 -15.661
  264   1HG   LYS  34          HG2       LYS  34   8.315 -15.476 -13.969
  265   2HG   LYS  34          HG3       LYS  34   6.682 -15.654 -13.354
  266   1HD   LYS  34          HD2       LYS  34   7.466 -17.783 -13.122
  267   2HD   LYS  34          HD3       LYS  34   6.606 -17.904 -14.659
  268   1HE   LYS  34          HE2       LYS  34   8.779 -17.698 -15.868
  269   2HE   LYS  34          HE3       LYS  34   9.618 -17.474 -14.331
  270   1HZ   LYS  34          HZ1       LYS  34   8.165 -19.930 -15.133
  271   2HZ   LYS  34          HZ2       LYS  34   9.783 -19.748 -15.118
  272   3HZ   LYS  34          HZ3       LYS  34   8.956 -19.724 -13.717
  273    H    GLY  35           H        GLY  35   7.734 -13.035 -17.869
  274   1HA   GLY  35          HA2       GLY  35   7.143 -12.231 -19.930
  275   2HA   GLY  35          HA3       GLY  35   6.457 -13.800 -20.376
  276    H    TYR  36           H        TYR  36   5.620 -11.725 -17.514
  277    HA   TYR  36           HA       TYR  36   3.254 -10.703 -18.808
  278   1HB   TYR  36          HB2       TYR  36   1.717 -11.555 -16.959
  279   2HB   TYR  36          HB3       TYR  36   2.131 -12.648 -18.253
  280    HD1  TYR  36           HD1      TYR  36   2.368 -14.852 -17.596
  281    HD2  TYR  36           HD2      TYR  36   3.533 -11.749 -14.834
  282    HE1  TYR  36           HE1      TYR  36   2.853 -16.564 -15.886
  283    HE2  TYR  36           HE2      TYR  36   4.075 -13.460 -13.137
  284    HH   TYR  36           HH       TYR  36   3.582 -16.974 -13.708
  285    H    TRP  37           H        TRP  37   2.021  -9.214 -17.245
  286    HA   TRP  37           HA       TRP  37   3.933  -7.699 -15.607
  287   1HB   TRP  37          HB2       TRP  37   0.996  -7.328 -16.281
  288   2HB   TRP  37          HB3       TRP  37   1.828  -6.371 -15.078
  289    HD1  TRP  37           HD1      TRP  37   1.599  -6.807 -18.849
  290    HE1  TRP  37           HE1      TRP  37   2.721  -4.835 -20.011
  291    HE3  TRP  37           HE3      TRP  37   3.669  -4.570 -14.756
  292    HZ2  TRP  37           HZ2      TRP  37   4.386  -2.565 -19.254
  293    HZ3  TRP  37           HZ3      TRP  37   5.048  -2.511 -15.000
  294    HH2  TRP  37           HH2      TRP  37   5.411  -1.508 -17.243
  295    H    VAL  38           H        VAL  38   3.649  -7.389 -13.409
  296    HA   VAL  38           HA       VAL  38   1.841  -9.135 -11.877
  297    HB   VAL  38           HB       VAL  38   4.836  -8.762 -11.383
  298   1HG1  VAL  38          1HG1      VAL  38   2.732 -10.273  -9.773
  299   2HG1  VAL  38          2HG1      VAL  38   4.483 -10.484  -9.565
  300   3HG1  VAL  38          3HG1      VAL  38   3.746  -8.920  -9.237
  301   1HG2  VAL  38          1HG2      VAL  38   4.960 -11.257 -11.704
  302   2HG2  VAL  38          2HG2      VAL  38   3.284 -11.209 -12.309
  303   3HG2  VAL  38          3HG2      VAL  38   4.576 -10.358 -13.168
  304    H    GLY  39           H        GLY  39   1.384  -8.054  -9.741
  305   1HA   GLY  39          HA2       GLY  39   2.675  -5.500  -9.245
  306   2HA   GLY  39          HA3       GLY  39   0.986  -5.331  -9.741
  307    H    ILE  40           H        ILE  40   1.816  -4.401  -7.420
  308    HA   ILE  40           HA       ILE  40   0.547  -6.114  -5.345
  309    HB   ILE  40           HB       ILE  40   2.426  -3.733  -4.934
  310   1HG1  ILE  40          2HG1      ILE  40   3.041  -6.675  -4.416
  311   2HG1  ILE  40          3HG1      ILE  40   3.703  -5.716  -5.739
  312   1HG2  ILE  40          1HG2      ILE  40   2.232  -4.274  -2.538
  313   2HG2  ILE  40          2HG2      ILE  40   0.634  -4.020  -3.217
  314   3HG2  ILE  40          3HG2      ILE  40   1.205  -5.674  -2.912
  315   1HD1  ILE  40          1HD1      ILE  40   4.750  -4.170  -4.068
  316   2HD1  ILE  40          2HD1      ILE  40   4.239  -5.291  -2.780
  317   3HD1  ILE  40          3HD1      ILE  40   5.366  -5.833  -4.030
  318    H    TYR  41           H        TYR  41  -1.542  -5.355  -5.142
  319    HA   TYR  41           HA       TYR  41  -2.128  -2.618  -6.166
  320   1HB   TYR  41          HB2       TYR  41  -2.310  -5.069  -7.650
  321   2HB   TYR  41          HB3       TYR  41  -3.948  -4.663  -7.204
  322    HD1  TYR  41           HD1      TYR  41  -1.686  -4.334  -9.787
  323    HD2  TYR  41           HD2      TYR  41  -4.307  -1.887  -7.402
  324    HE1  TYR  41           HE1      TYR  41  -1.875  -2.717 -11.659
  325    HE2  TYR  41           HE2      TYR  41  -4.490  -0.260  -9.269
  326    HH   TYR  41           HH       TYR  41  -3.612   0.397 -11.273
  327    H    GLU  42           H        GLU  42  -3.648  -1.640  -4.862
  328    HA   GLU  42           HA       GLU  42  -5.322  -3.414  -3.158
  329   1HB   GLU  42          HB2       GLU  42  -3.821  -1.687  -2.066
  330   2HB   GLU  42          HB3       GLU  42  -4.817  -0.431  -2.785
  331   1HG   GLU  42          HG2       GLU  42  -6.753  -1.140  -1.506
  332   2HG   GLU  42          HG3       GLU  42  -5.972  -2.657  -1.073
  333    H    VAL  43           H        VAL  43  -5.835  -3.298  -5.952
  334    HA   VAL  43           HA       VAL  43  -8.580  -2.702  -5.706
  335    HB   VAL  43           HB       VAL  43  -8.106  -0.421  -6.248
  336   1HG1  VAL  43          1HG1      VAL  43  -5.965  -0.491  -7.308
  337   2HG1  VAL  43          2HG1      VAL  43  -6.666  -1.263  -8.758
  338   3HG1  VAL  43          3HG1      VAL  43  -7.114   0.390  -8.303
  339   1HG2  VAL  43          1HG2      VAL  43 -10.111  -1.471  -7.280
  340   2HG2  VAL  43          2HG2      VAL  43  -9.500  -0.041  -8.138
  341   3HG2  VAL  43          3HG2      VAL  43  -9.193  -1.659  -8.787
  342    H    TRP  44           H        TRP  44  -5.990  -3.361  -8.167
  343    HA   TRP  44           HA       TRP  44  -7.789  -4.466  -9.991
  344   1HB   TRP  44          HB2       TRP  44  -5.469  -3.636 -10.451
  345   2HB   TRP  44          HB3       TRP  44  -4.834  -5.101  -9.713
  346    HD1  TRP  44           HD1      TRP  44  -7.741  -5.007 -12.281
  347    HE1  TRP  44           HE1      TRP  44  -7.059  -6.271 -14.385
  348    HE3  TRP  44           HE3      TRP  44  -2.815  -5.812 -11.151
  349    HZ2  TRP  44           HZ2      TRP  44  -4.658  -7.499 -15.453
  350    HZ3  TRP  44           HZ3      TRP  44  -1.329  -6.959 -12.766
  351    HH2  TRP  44           HH2      TRP  44  -2.230  -7.810 -14.911
  352    H    ASP  45           H        ASP  45  -8.338  -6.558 -10.566
  353    HA   ASP  45           HA       ASP  45  -7.773  -8.799  -8.703
  354   1HB   ASP  45          HB2       ASP  45  -9.841  -7.587  -7.987
  355   2HB   ASP  45          HB3       ASP  45 -10.538  -7.864  -9.582
  356    H    ARG  46           H        ARG  46  -6.639  -8.308 -11.209
  357    HA   ARG  46           HA       ARG  46  -6.282  -9.036 -13.284
  358   1HB   ARG  46          HB2       ARG  46  -6.241 -11.226 -11.826
  359   2HB   ARG  46          HB3       ARG  46  -7.707 -11.640 -12.722
  360   1HG   ARG  46          HG2       ARG  46  -6.397 -11.273 -14.866
  361   2HG   ARG  46          HG3       ARG  46  -4.968 -10.950 -13.872
  362   1HD   ARG  46          HD2       ARG  46  -5.051 -13.227 -12.961
  363   2HD   ARG  46          HD3       ARG  46  -6.545 -13.556 -13.876
  364    HE   ARG  46           HE       ARG  46  -4.528 -12.610 -15.644
  365   1HH1  ARG  46          1HH1      ARG  46  -5.135 -15.523 -13.704
  366   2HH1  ARG  46          2HH1      ARG  46  -4.275 -16.574 -14.767
  367   1HH2  ARG  46          2HH2      ARG  46  -3.501 -13.981 -17.088
  368   2HH2  ARG  46          1HH2      ARG  46  -3.290 -15.662 -16.747
  369    H    LYS  47           H        LYS  47  -8.749  -7.544 -12.809
  370    HA   LYS  47           HA       LYS  47 -10.755  -8.347 -14.725
  371   1HB   LYS  47          HB2       LYS  47 -11.151  -6.637 -12.952
  372   2HB   LYS  47          HB3       LYS  47  -9.953  -5.572 -13.717
  373   1HG   LYS  47          HG2       LYS  47 -11.339  -5.455 -15.760
  374   2HG   LYS  47          HG3       LYS  47 -12.511  -6.582 -15.044
  375   1HD   LYS  47          HD2       LYS  47 -12.973  -4.945 -13.235
  376   2HD   LYS  47          HD3       LYS  47 -11.799  -3.819 -13.955
  377   1HE   LYS  47          HE2       LYS  47 -13.140  -3.761 -16.046
  378   2HE   LYS  47          HE3       LYS  47 -14.300  -4.892 -15.340
  379   1HZ   LYS  47          HZ1       LYS  47 -14.820  -3.214 -13.665
  380   2HZ   LYS  47          HZ2       LYS  47 -13.747  -2.166 -14.318
  381   3HZ   LYS  47          HZ3       LYS  47 -15.065  -2.616 -15.159
  Start of MODEL   17
    1   1H    ALA   1          H1        ALA   1  -7.938  -3.901   1.673
    2   2H    ALA   1          H2        ALA   1  -7.398  -3.631   3.206
    3   3H    ALA   1          H3        ALA   1  -6.608  -2.972   1.919
    4    HA   ALA   1           HA       ALA   1  -5.375  -4.810   2.769
    5   1HB   ALA   1          HB1       ALA   1  -7.240  -6.127   3.691
    6   2HB   ALA   1          HB2       ALA   1  -7.859  -6.437   2.052
    7   3HB   ALA   1          HB3       ALA   1  -6.287  -7.096   2.551
    8    H    ILE   2           H        ILE   2  -3.829  -5.028   1.247
    9    HA   ILE   2           HA       ILE   2  -4.297  -4.707  -1.552
   10    HB   ILE   2           HB       ILE   2  -1.940  -5.599  -1.766
   11   1HG1  ILE   2          2HG1      ILE   2  -1.851  -5.505   1.272
   12   2HG1  ILE   2          3HG1      ILE   2  -2.046  -7.001   0.367
   13   1HG2  ILE   2          1HG2      ILE   2  -2.429  -3.244   0.105
   14   2HG2  ILE   2          2HG2      ILE   2  -0.922  -3.560  -0.787
   15   3HG2  ILE   2          3HG2      ILE   2  -2.400  -3.238  -1.680
   16   1HD1  ILE   2          1HD1      ILE   2   0.103  -6.610  -0.788
   17   2HD1  ILE   2          2HD1      ILE   2   0.347  -5.129   0.175
   18   3HD1  ILE   2          3HD1      ILE   2   0.280  -6.708   0.976
   19    H    LYS   3           H        LYS   3  -3.811  -6.194  -3.197
   20    HA   LYS   3           HA       LYS   3  -4.129  -9.099  -2.699
   21   1HB   LYS   3          HB2       LYS   3  -5.192  -7.372  -5.001
   22   2HB   LYS   3          HB3       LYS   3  -5.016  -9.125  -5.107
   23   1HG   LYS   3          HG2       LYS   3  -6.591  -9.454  -3.262
   24   2HG   LYS   3          HG3       LYS   3  -6.780  -7.700  -3.068
   25   1HD   LYS   3          HD2       LYS   3  -7.753  -7.488  -5.285
   26   2HD   LYS   3          HD3       LYS   3  -7.412  -9.192  -5.657
   27   1HE   LYS   3          HE2       LYS   3  -8.935  -9.936  -3.894
   28   2HE   LYS   3          HE3       LYS   3  -9.244  -8.266  -3.398
   29   1HZ   LYS   3          HZ1       LYS   3 -10.321  -7.868  -5.488
   30   2HZ   LYS   3          HZ2       LYS   3  -9.912  -9.339  -6.091
   31   3HZ   LYS   3          HZ3       LYS   3 -10.975  -9.216  -4.849
   32    H    LEU   4           H        LEU   4  -2.942 -10.253  -4.482
   33    HA   LEU   4           HA       LEU   4  -0.670  -8.721  -5.654
   34   1HB   LEU   4          HB2       LEU   4  -0.630 -11.587  -4.604
   35   2HB   LEU   4          HB3       LEU   4   0.677 -10.787  -5.472
   36    HG   LEU   4           HG       LEU   4  -0.367 -10.010  -2.709
   37   1HD1  LEU   4          1HD1      LEU   4   1.785 -10.863  -1.898
   38   2HD1  LEU   4          2HD1      LEU   4   0.886 -12.133  -2.739
   39   3HD1  LEU   4          3HD1      LEU   4   2.247 -11.328  -3.553
   40   1HD2  LEU   4          1HD2      LEU   4   0.467  -8.012  -3.809
   41   2HD2  LEU   4          2HD2      LEU   4   1.656  -8.537  -2.620
   42   3HD2  LEU   4          3HD2      LEU   4   1.931  -8.865  -4.349
   43    H    VAL   5           H        VAL   5  -0.507  -9.107  -7.868
   44    HA   VAL   5           HA       VAL   5  -2.499 -10.982  -9.050
   45    HB   VAL   5           HB       VAL   5  -2.196  -8.084  -9.916
   46   1HG1  VAL   5          1HG1      VAL   5  -4.399  -8.513 -10.994
   47   2HG1  VAL   5          2HG1      VAL   5  -3.159  -9.602 -11.595
   48   3HG1  VAL   5          3HG1      VAL   5  -4.359 -10.192 -10.418
   49   1HG2  VAL   5          1HG2      VAL   5  -3.102  -7.915  -7.654
   50   2HG2  VAL   5          2HG2      VAL   5  -4.368  -7.591  -8.826
   51   3HG2  VAL   5          3HG2      VAL   5  -4.315  -9.168  -8.014
   52    H    GLN   6           H        GLN   6  -1.901 -11.779 -11.068
   53    HA   GLN   6           HA       GLN   6   0.608 -10.902 -12.338
   54   1HB   GLN   6          HB2       GLN   6   0.095 -13.796 -11.492
   55   2HB   GLN   6          HB3       GLN   6   1.472 -13.174 -12.406
   56   1HG   GLN   6          HG2       GLN   6   2.078 -11.787 -10.398
   57   2HG   GLN   6          HG3       GLN   6   0.811 -12.603  -9.490
   58   1HE2  GLN   6          2HE2      GLN   6   4.106 -12.675 -10.077
   59   2HE2  GLN   6          1HE2      GLN   6   4.411 -14.351  -9.715
   60    H    SER   7           H        SER   7  -0.360 -10.384 -14.347
   61    HA   SER   7           HA       SER   7  -1.802 -12.487 -15.762
   62   1HB   SER   7          HB2       SER   7  -3.274  -9.854 -15.482
   63   2HB   SER   7          HB3       SER   7  -3.872 -11.398 -16.077
   64    HG   SER   7           HG       SER   7  -3.300 -10.624 -13.416
   65    HA   PRO   8           HA       PRO   8   0.411 -10.439 -18.921
   66   1HB   PRO   8          HB2       PRO   8  -0.883 -11.124 -21.250
   67   2HB   PRO   8          HB3       PRO   8   0.060 -12.270 -20.251
   68   1HG   PRO   8          HG2       PRO   8  -2.940 -11.822 -20.237
   69   2HG   PRO   8          HG3       PRO   8  -2.052 -13.378 -20.309
   70   1HD   PRO   8          HD2       PRO   8  -3.031 -12.413 -17.968
   71   2HD   PRO   8          HD3       PRO   8  -1.449 -13.247 -18.027
   72    H    ASN   9           H        ASN   9  -3.057  -9.630 -18.801
   73    HA   ASN   9           HA       ASN   9  -2.888  -7.568 -20.767
   74   1HB   ASN   9          HB2       ASN   9  -5.129  -6.984 -20.191
   75   2HB   ASN   9          HB3       ASN   9  -4.991  -8.728 -20.226
   76   1HD2  ASN   9          2HD2      ASN   9  -5.907  -9.797 -18.436
   77   2HD2  ASN   9          1HD2      ASN   9  -6.280  -8.993 -16.924
   78    H    GLY  10           H        GLY  10  -2.149  -7.494 -17.329
   79   1HA   GLY  10          HA2       GLY  10  -1.460  -5.828 -15.933
   80   2HA   GLY  10          HA3       GLY  10  -0.713  -5.152 -17.377
   81    H    ASN  11           H        ASN  11  -4.237  -5.378 -16.819
   82    HA   ASN  11           HA       ASN  11  -4.786  -2.769 -17.674
   83   1HB   ASN  11          HB2       ASN  11  -6.485  -4.460 -17.716
   84   2HB   ASN  11          HB3       ASN  11  -6.340  -4.727 -15.982
   85   1HD2  ASN  11          1HD2      ASN  11  -8.486  -4.288 -15.463
   86   2HD2  ASN  11          2HD2      ASN  11  -9.190  -2.678 -15.611
   87    H    PHE  12           H        PHE  12  -3.688  -1.096 -16.710
   88    HA   PHE  12           HA       PHE  12  -3.439  -0.729 -13.877
   89   1HB   PHE  12          HB2       PHE  12  -1.862   0.276 -15.397
   90   2HB   PHE  12          HB3       PHE  12  -3.114   1.131 -16.246
   91    HD1  PHE  12           HD1      PHE  12  -3.815   3.310 -15.552
   92    HD2  PHE  12           HD2      PHE  12  -1.372   0.920 -12.936
   93    HE1  PHE  12           HE1      PHE  12  -3.475   5.264 -14.076
   94    HE2  PHE  12           HE2      PHE  12  -1.050   2.873 -11.455
   95    HZ   PHE  12           HZ       PHE  12  -2.100   5.052 -12.018
   96    H    ALA  13           H        ALA  13  -5.227  -0.497 -12.627
   97    HA   ALA  13           HA       ALA  13  -7.677   0.676 -13.722
   98   1HB   ALA  13          HB1       ALA  13  -8.702  -0.200 -11.672
   99   2HB   ALA  13          HB2       ALA  13  -7.720  -1.447 -12.469
  100   3HB   ALA  13          HB3       ALA  13  -7.101  -0.607 -11.025
  101    H    ALA  14           H        ALA  14  -5.060   1.936 -11.967
  102    HA   ALA  14           HA       ALA  14  -4.581   3.619 -10.629
  103   1HB   ALA  14          HB1       ALA  14  -5.426   4.981 -12.484
  104   2HB   ALA  14          HB2       ALA  14  -7.043   4.996 -11.749
  105   3HB   ALA  14          HB3       ALA  14  -5.679   5.759 -10.909
  106    H    SER  15           H        SER  15  -8.204   3.545 -10.262
  107    HA   SER  15           HA       SER  15  -8.051   2.732  -7.522
  108   1HB   SER  15          HB2       SER  15  -9.083   4.922  -6.647
  109   2HB   SER  15          HB3       SER  15  -7.351   4.930  -6.979
  110    HG   SER  15           HG       SER  15  -8.389   6.787  -7.814
  111    H    PHE  16           H        PHE  16 -10.251   2.728  -6.495
  112    HA   PHE  16           HA       PHE  16 -12.598   3.017  -8.165
  113   1HB   PHE  16          HB2       PHE  16 -11.502   0.833  -8.942
  114   2HB   PHE  16          HB3       PHE  16 -11.734   0.222  -7.313
  115    HD1  PHE  16           HD1      PHE  16 -13.874   2.036  -9.865
  116    HD2  PHE  16           HD2      PHE  16 -13.442  -1.373  -7.249
  117    HE1  PHE  16           HE1      PHE  16 -16.088   1.192 -10.589
  118    HE2  PHE  16           HE2      PHE  16 -15.648  -2.219  -7.999
  119    HZ   PHE  16           HZ       PHE  16 -16.979  -0.938  -9.661
  120    H    VAL  17           H        VAL  17 -14.509   1.845  -6.789
  121    HA   VAL  17           HA       VAL  17 -13.983   1.920  -3.893
  122    HB   VAL  17           HB       VAL  17 -16.245   3.464  -5.233
  123   1HG1  VAL  17          1HG1      VAL  17 -16.952   2.423  -3.087
  124   2HG1  VAL  17          2HG1      VAL  17 -15.561   3.168  -2.270
  125   3HG1  VAL  17          3HG1      VAL  17 -16.849   4.180  -2.953
  126   1HG2  VAL  17          1HG2      VAL  17 -14.160   4.753  -5.380
  127   2HG2  VAL  17          2HG2      VAL  17 -15.215   5.468  -4.163
  128   3HG2  VAL  17          3HG2      VAL  17 -13.833   4.472  -3.657
  129    H    LEU  18           H        LEU  18 -14.976   0.174  -2.960
  130    HA   LEU  18           HA       LEU  18 -17.175  -1.279  -4.223
  131   1HB   LEU  18          HB2       LEU  18 -15.269  -2.123  -5.533
  132   2HB   LEU  18          HB3       LEU  18 -14.336  -2.396  -4.078
  133    HG   LEU  18           HG       LEU  18 -15.964  -4.168  -3.376
  134   1HD1  LEU  18          1HD1      LEU  18 -17.505  -5.091  -5.080
  135   2HD1  LEU  18          2HD1      LEU  18 -17.963  -3.437  -4.666
  136   3HD1  LEU  18          3HD1      LEU  18 -17.100  -3.759  -6.183
  137   1HD2  LEU  18          1HD2      LEU  18 -14.657  -4.544  -6.098
  138   2HD2  LEU  18          2HD2      LEU  18 -13.865  -4.718  -4.517
  139   3HD2  LEU  18          3HD2      LEU  18 -15.154  -5.838  -4.983
  140    H    ASP  19           H        ASP  19 -18.183  -2.547  -2.647
  141    HA   ASP  19           HA       ASP  19 -18.921  -2.986  -0.578
  142   1HB   ASP  19          HB2       ASP  19 -17.437  -4.875  -1.064
  143   2HB   ASP  19          HB3       ASP  19 -16.102  -4.051  -0.253
  144    H    GLY  20           H        GLY  20 -18.537  -0.375  -0.671
  145   1HA   GLY  20          HA2       GLY  20 -18.449   1.480   0.637
  146   2HA   GLY  20          HA3       GLY  20 -18.498   0.388   2.026
  147    H    THR  21           H        THR  21 -15.798   0.186  -0.237
  148    HA   THR  21           HA       THR  21 -13.968   1.552   1.673
  149    HB   THR  21           HB       THR  21 -13.598  -1.181   0.346
  150    HG1  THR  21           HG1      THR  21 -15.163  -1.359   1.911
  151   1HG2  THR  21          1HG2      THR  21 -11.449  -0.152   0.846
  152   2HG2  THR  21          2HG2      THR  21 -11.971   0.247   2.499
  153   3HG2  THR  21          3HG2      THR  21 -11.751  -1.448   2.001
  154    H    LYS  22           H        LYS  22 -12.088   2.442   0.603
  155    HA   LYS  22           HA       LYS  22 -12.417   2.848  -2.322
  156   1HB   LYS  22          HB2       LYS  22 -12.120   4.826  -0.829
  157   2HB   LYS  22          HB3       LYS  22 -10.525   4.214  -0.357
  158   1HG   LYS  22          HG2       LYS  22  -9.719   4.421  -2.666
  159   2HG   LYS  22          HG3       LYS  22 -11.347   4.846  -3.231
  160   1HD   LYS  22          HD2       LYS  22 -11.271   6.917  -1.868
  161   2HD   LYS  22          HD3       LYS  22  -9.639   6.483  -1.305
  162   1HE   LYS  22          HE2       LYS  22  -8.824   6.505  -3.652
  163   2HE   LYS  22          HE3       LYS  22 -10.449   6.914  -4.220
  164   1HZ   LYS  22          HZ1       LYS  22 -10.284   9.002  -2.994
  165   2HZ   LYS  22          HZ2       LYS  22  -8.782   8.628  -2.468
  166   3HZ   LYS  22          HZ3       LYS  22  -9.055   8.875  -4.054
  167    H    TRP  23           H        TRP  23 -10.685   2.406  -3.740
  168    HA   TRP  23           HA       TRP  23  -8.684   0.389  -2.854
  169   1HB   TRP  23          HB2       TRP  23 -10.742   0.278  -5.109
  170   2HB   TRP  23          HB3       TRP  23  -9.469  -0.878  -4.923
  171    HD1  TRP  23           HD1      TRP  23 -12.688   0.202  -3.322
  172    HE1  TRP  23           HE1      TRP  23 -13.631  -1.584  -1.779
  173    HE3  TRP  23           HE3      TRP  23  -8.828  -3.127  -3.562
  174    HZ2  TRP  23           HZ2      TRP  23 -12.767  -4.154  -0.743
  175    HZ3  TRP  23           HZ3      TRP  23  -8.911  -5.235  -2.294
  176    HH2  TRP  23           HH2      TRP  23 -10.879  -5.769  -0.879
  177    H    ILE  24           H        ILE  24  -6.714   0.542  -4.133
  178    HA   ILE  24           HA       ILE  24  -6.439   2.678  -6.096
  179    HB   ILE  24           HB       ILE  24  -6.650   3.879  -3.964
  180   1HG1  ILE  24          2HG1      ILE  24  -3.811   4.174  -4.988
  181   2HG1  ILE  24          3HG1      ILE  24  -5.237   4.715  -5.882
  182   1HG2  ILE  24          1HG2      ILE  24  -4.983   3.750  -2.191
  183   2HG2  ILE  24          2HG2      ILE  24  -5.697   2.162  -2.436
  184   3HG2  ILE  24          3HG2      ILE  24  -4.080   2.507  -3.079
  185   1HD1  ILE  24          1HD1      ILE  24  -4.346   5.722  -3.150
  186   2HD1  ILE  24          2HD1      ILE  24  -4.292   6.589  -4.692
  187   3HD1  ILE  24          3HD1      ILE  24  -5.859   6.189  -3.964
  188    H    PHE  25           H        PHE  25  -4.314   2.834  -6.994
  189    HA   PHE  25           HA       PHE  25  -2.798   0.488  -7.394
  190   1HB   PHE  25          HB2       PHE  25  -2.848   2.380  -8.927
  191   2HB   PHE  25          HB3       PHE  25  -2.209   3.455  -7.707
  192    HD1  PHE  25           HD1      PHE  25   0.053   4.050  -7.893
  193    HD2  PHE  25           HD2      PHE  25  -1.234   0.227  -9.396
  194    HE1  PHE  25           HE1      PHE  25   2.334   3.598  -8.741
  195    HE2  PHE  25           HE2      PHE  25   1.031  -0.219 -10.228
  196    HZ   PHE  25           HZ       PHE  25   2.838   1.474  -9.922
  197    H    LYS  26           H        LYS  26  -0.581  -0.005  -6.807
  198    HA   LYS  26           HA       LYS  26   0.622   1.544  -4.650
  199   1HB   LYS  26          HB2       LYS  26  -0.677  -0.438  -3.628
  200   2HB   LYS  26          HB3       LYS  26   0.581  -1.468  -4.286
  201   1HG   LYS  26          HG2       LYS  26   1.054   0.844  -2.364
  202   2HG   LYS  26          HG3       LYS  26   0.836  -0.844  -1.895
  203   1HD   LYS  26          HD2       LYS  26   2.876  -1.448  -3.262
  204   2HD   LYS  26          HD3       LYS  26   3.110   0.277  -3.571
  205   1HE   LYS  26          HE2       LYS  26   4.575  -0.289  -1.807
  206   2HE   LYS  26          HE3       LYS  26   3.285   0.706  -1.132
  207   1HZ   LYS  26          HZ1       LYS  26   3.797  -1.181   0.277
  208   2HZ   LYS  26          HZ2       LYS  26   2.273  -1.335  -0.266
  209   3HZ   LYS  26          HZ3       LYS  26   3.477  -2.249  -0.907
  210    H    SER  27           H        SER  27   1.276  -1.538  -6.565
  211    HA   SER  27           HA       SER  27   3.521  -0.147  -7.902
  212   1HB   SER  27          HB2       SER  27   3.880  -2.728  -6.311
  213   2HB   SER  27          HB3       SER  27   5.121  -1.894  -7.250
  214    HG   SER  27           HG       SER  27   4.992  -0.165  -5.781
  215    H    LYS  28           H        LYS  28   4.175  -1.201  -9.869
  216    HA   LYS  28           HA       LYS  28   3.192  -3.868 -10.449
  217   1HB   LYS  28          HB2       LYS  28   2.136  -3.371 -12.558
  218   2HB   LYS  28          HB3       LYS  28   1.306  -2.498 -11.274
  219   1HG   LYS  28          HG2       LYS  28   2.560  -0.410 -11.938
  220   2HG   LYS  28          HG3       LYS  28   3.311  -1.315 -13.257
  221   1HD   LYS  28          HD2       LYS  28   1.101  -1.739 -14.274
  222   2HD   LYS  28          HD3       LYS  28   0.309  -0.947 -12.909
  223   1HE   LYS  28          HE2       LYS  28   0.351   0.611 -14.735
  224   2HE   LYS  28          HE3       LYS  28   1.440   1.197 -13.477
  225   1HZ   LYS  28          HZ1       LYS  28   3.302   0.403 -14.804
  226   2HZ   LYS  28          HZ2       LYS  28   2.296  -0.222 -15.942
  227   3HZ   LYS  28          HZ3       LYS  28   2.379   1.387 -15.709
  228    H    TYR  29           H        TYR  29   4.379  -4.848 -12.224
  229    HA   TYR  29           HA       TYR  29   6.312  -3.296 -13.718
  230   1HB   TYR  29          HB2       TYR  29   8.286  -4.479 -13.074
  231   2HB   TYR  29          HB3       TYR  29   7.603  -3.768 -11.634
  232    HD1  TYR  29           HD1      TYR  29   6.307  -5.286  -9.991
  233    HD2  TYR  29           HD2      TYR  29   8.735  -6.815 -13.215
  234    HE1  TYR  29           HE1      TYR  29   6.467  -7.463  -8.831
  235    HE2  TYR  29           HE2      TYR  29   8.900  -8.996 -12.061
  236    HH   TYR  29           HH       TYR  29   7.362  -9.624  -8.877
  237    H    TYR  30           H        TYR  30   7.300  -4.720 -15.439
  238    HA   TYR  30           HA       TYR  30   5.466  -6.942 -16.178
  239   1HB   TYR  30          HB2       TYR  30   5.929  -5.116 -17.824
  240   2HB   TYR  30          HB3       TYR  30   7.627  -5.581 -17.823
  241    HD1  TYR  30           HD1      TYR  30   8.370  -7.406 -19.220
  242    HD2  TYR  30           HD2      TYR  30   4.164  -6.823 -18.496
  243    HE1  TYR  30           HE1      TYR  30   7.839  -9.029 -21.016
  244    HE2  TYR  30           HE2      TYR  30   3.614  -8.432 -20.293
  245    HH   TYR  30           HH       TYR  30   4.465  -9.827 -21.964
  246    H    ASP  31           H        ASP  31   6.126  -8.960 -15.667
  247    HA   ASP  31           HA       ASP  31   8.893  -9.384 -14.704
  248   1HB   ASP  31          HB2       ASP  31   7.088 -10.194 -13.271
  249   2HB   ASP  31          HB3       ASP  31   6.439 -11.167 -14.592
  250    H    SER  32           H        SER  32   9.770  -9.070 -16.864
  251    HA   SER  32           HA       SER  32   9.091 -10.336 -19.169
  252   1HB   SER  32          HB2       SER  32  11.958  -9.846 -18.297
  253   2HB   SER  32          HB3       SER  32  11.293  -9.777 -19.941
  254    HG   SER  32           HG       SER  32  11.564  -7.696 -19.004
  255    H    SER  33           H        SER  33  10.784 -11.884 -16.449
  256    HA   SER  33           HA       SER  33  11.827 -14.136 -17.788
  257   1HB   SER  33          HB2       SER  33  10.783 -13.966 -14.939
  258   2HB   SER  33          HB3       SER  33  12.013 -15.076 -15.568
  259    HG   SER  33           HG       SER  33  12.915 -13.257 -14.470
  260    H    LYS  34           H        LYS  34   8.496 -13.362 -16.968
  261    HA   LYS  34           HA       LYS  34   7.653 -16.068 -17.927
  262   1HB   LYS  34          HB2       LYS  34   6.468 -14.385 -15.691
  263   2HB   LYS  34          HB3       LYS  34   5.644 -15.765 -16.429
  264   1HG   LYS  34          HG2       LYS  34   7.550 -17.243 -15.791
  265   2HG   LYS  34          HG3       LYS  34   8.317 -15.872 -14.961
  266   1HD   LYS  34          HD2       LYS  34   6.367 -15.671 -13.460
  267   2HD   LYS  34          HD3       LYS  34   5.567 -17.016 -14.305
  268   1HE   LYS  34          HE2       LYS  34   7.453 -18.516 -13.673
  269   2HE   LYS  34          HE3       LYS  34   8.224 -17.179 -12.811
  270   1HZ   LYS  34          HZ1       LYS  34   6.299 -17.113 -11.332
  271   2HZ   LYS  34          HZ2       LYS  34   5.590 -18.354 -12.129
  272   3HZ   LYS  34          HZ3       LYS  34   6.977 -18.595 -11.311
  273    H    GLY  35           H        GLY  35   7.446 -12.630 -18.355
  274   1HA   GLY  35          HA2       GLY  35   6.660 -11.557 -20.210
  275   2HA   GLY  35          HA3       GLY  35   6.047 -13.090 -20.850
  276    H    TYR  36           H        TYR  36   5.273 -11.381 -17.747
  277    HA   TYR  36           HA       TYR  36   2.708 -10.537 -18.771
  278   1HB   TYR  36          HB2       TYR  36   1.348 -11.571 -17.049
  279   2HB   TYR  36          HB3       TYR  36   2.026 -12.730 -18.158
  280    HD1  TYR  36           HD1      TYR  36   4.571 -11.975 -15.667
  281    HD2  TYR  36           HD2      TYR  36   0.879 -14.117 -16.325
  282    HE1  TYR  36           HE1      TYR  36   5.073 -13.420 -13.752
  283    HE2  TYR  36           HE2      TYR  36   1.397 -15.592 -14.417
  284    HH   TYR  36           HH       TYR  36   2.909 -16.097 -12.718
  285    H    TRP  37           H        TRP  37   1.495  -9.229 -17.002
  286    HA   TRP  37           HA       TRP  37   3.491  -7.534 -15.636
  287   1HB   TRP  37          HB2       TRP  37   0.504  -7.310 -16.100
  288   2HB   TRP  37          HB3       TRP  37   1.361  -6.294 -14.965
  289    HD1  TRP  37           HD1      TRP  37   1.019  -6.863 -18.719
  290    HE1  TRP  37           HE1      TRP  37   2.014  -4.893 -19.989
  291    HE3  TRP  37           HE3      TRP  37   3.110  -4.372 -14.782
  292    HZ2  TRP  37           HZ2      TRP  37   3.638  -2.557 -19.376
  293    HZ3  TRP  37           HZ3      TRP  37   4.434  -2.309 -15.156
  294    HH2  TRP  37           HH2      TRP  37   4.705  -1.398 -17.451
  295    H    VAL  38           H        VAL  38   3.496  -7.264 -13.429
  296    HA   VAL  38           HA       VAL  38   1.956  -9.110 -11.717
  297    HB   VAL  38           HB       VAL  38   4.975  -8.637 -11.707
  298   1HG1  VAL  38          1HG1      VAL  38   4.296  -8.703  -9.402
  299   2HG1  VAL  38          2HG1      VAL  38   3.226 -10.082  -9.673
  300   3HG1  VAL  38          3HG1      VAL  38   4.993 -10.275  -9.782
  301   1HG2  VAL  38          1HG2      VAL  38   3.342 -11.158 -12.224
  302   2HG2  VAL  38          2HG2      VAL  38   4.395 -10.310 -13.362
  303   3HG2  VAL  38          3HG2      VAL  38   5.104 -11.127 -11.973
  304    H    GLY  39           H        GLY  39   1.520  -8.080  -9.624
  305   1HA   GLY  39          HA2       GLY  39   2.817  -5.556  -9.026
  306   2HA   GLY  39          HA3       GLY  39   1.142  -5.350  -9.548
  307    H    ILE  40           H        ILE  40   1.839  -4.463  -7.224
  308    HA   ILE  40           HA       ILE  40   0.579  -6.223  -5.186
  309    HB   ILE  40           HB       ILE  40   2.470  -3.859  -4.715
  310   1HG1  ILE  40          2HG1      ILE  40   3.093  -6.812  -4.280
  311   2HG1  ILE  40          3HG1      ILE  40   3.751  -5.814  -5.576
  312   1HG2  ILE  40          1HG2      ILE  40   2.285  -4.460  -2.338
  313   2HG2  ILE  40          2HG2      ILE  40   0.680  -4.199  -3.001
  314   3HG2  ILE  40          3HG2      ILE  40   1.266  -5.855  -2.746
  315   1HD1  ILE  40          1HD1      ILE  40   4.290  -5.472  -2.608
  316   2HD1  ILE  40          2HD1      ILE  40   5.415  -5.977  -3.876
  317   3HD1  ILE  40          3HD1      ILE  40   4.797  -4.314  -3.867
  318    H    TYR  41           H        TYR  41  -1.513  -5.407  -4.923
  319    HA   TYR  41           HA       TYR  41  -2.032  -2.645  -5.927
  320   1HB   TYR  41          HB2       TYR  41  -2.307  -5.120  -7.410
  321   2HB   TYR  41          HB3       TYR  41  -3.913  -4.574  -7.017
  322    HD1  TYR  41           HD1      TYR  41  -4.076  -1.789  -7.277
  323    HD2  TYR  41           HD2      TYR  41  -1.546  -4.456  -9.523
  324    HE1  TYR  41           HE1      TYR  41  -4.141  -0.227  -9.201
  325    HE2  TYR  41           HE2      TYR  41  -1.623  -2.902 -11.457
  326    HH   TYR  41           HH       TYR  41  -3.333   0.251 -11.280
  327    H    GLU  42           H        GLU  42  -3.773  -1.676  -4.885
  328    HA   GLU  42           HA       GLU  42  -5.492  -3.463  -3.227
  329   1HB   GLU  42          HB2       GLU  42  -4.023  -1.787  -2.006
  330   2HB   GLU  42          HB3       GLU  42  -4.952  -0.489  -2.753
  331   1HG   GLU  42          HG2       GLU  42  -6.960  -1.167  -1.593
  332   2HG   GLU  42          HG3       GLU  42  -6.269  -2.732  -1.176
  333    H    VAL  43           H        VAL  43  -5.775  -3.184  -6.077
  334    HA   VAL  43           HA       VAL  43  -8.544  -2.586  -5.992
  335    HB   VAL  43           HB       VAL  43  -7.951  -0.293  -6.390
  336   1HG1  VAL  43          1HG1      VAL  43  -6.424  -1.102  -8.865
  337   2HG1  VAL  43          2HG1      VAL  43  -6.837   0.554  -8.377
  338   3HG1  VAL  43          3HG1      VAL  43  -5.766  -0.405  -7.364
  339   1HG2  VAL  43          1HG2      VAL  43  -9.947  -1.217  -7.541
  340   2HG2  VAL  43          2HG2      VAL  43  -9.246   0.213  -8.325
  341   3HG2  VAL  43          3HG2      VAL  43  -8.978  -1.396  -9.017
  342    H    TRP  44           H        TRP  44  -5.757  -3.281  -8.230
  343    HA   TRP  44           HA       TRP  44  -7.449  -4.310 -10.217
  344   1HB   TRP  44          HB2       TRP  44  -5.084  -3.555 -10.528
  345   2HB   TRP  44          HB3       TRP  44  -4.545  -5.041  -9.743
  346    HD1  TRP  44           HD1      TRP  44  -7.324  -4.859 -12.432
  347    HE1  TRP  44           HE1      TRP  44  -6.700  -6.256 -14.407
  348    HE3  TRP  44           HE3      TRP  44  -2.492  -5.886 -11.100
  349    HZ2  TRP  44           HZ2      TRP  44  -4.314  -7.711 -15.346
  350    HZ3  TRP  44           HZ3      TRP  44  -1.037  -7.223 -12.593
  351    HH2  TRP  44           HH2      TRP  44  -1.933  -8.142 -14.712
  352    H    ASP  45           H        ASP  45  -7.742  -6.474 -10.973
  353    HA   ASP  45           HA       ASP  45  -7.693  -8.667  -9.000
  354   1HB   ASP  45          HB2       ASP  45  -9.648  -7.162  -8.473
  355   2HB   ASP  45          HB3       ASP  45 -10.270  -7.449 -10.097
  356    H    ARG  46           H        ARG  46  -6.359  -8.367 -11.459
  357    HA   ARG  46           HA       ARG  46  -5.843  -9.313 -13.403
  358   1HB   ARG  46          HB2       ARG  46  -6.045 -11.436 -12.458
  359   2HB   ARG  46          HB3       ARG  46  -7.805 -11.434 -12.513
  360   1HG   ARG  46          HG2       ARG  46  -7.868 -11.655 -14.890
  361   2HG   ARG  46          HG3       ARG  46  -6.129 -11.396 -15.050
  362   1HD   ARG  46          HD2       ARG  46  -7.377 -13.731 -13.544
  363   2HD   ARG  46          HD3       ARG  46  -6.908 -13.787 -15.254
  364    HE   ARG  46           HE       ARG  46  -4.654 -12.870 -13.886
  365   1HH1  ARG  46          1HH2      ARG  46  -6.628 -15.829 -13.916
  366   2HH1  ARG  46          2HH2      ARG  46  -5.323 -16.881 -13.515
  367   1HH2  ARG  46          1HH1      ARG  46  -2.899 -14.274 -13.377
  368   2HH2  ARG  46          2HH1      ARG  46  -3.160 -15.975 -13.187
  369    H    LYS  47           H        LYS  47  -9.316  -8.718 -13.046
  370    HA   LYS  47           HA       LYS  47 -10.132  -8.713 -15.694
  371   1HB   LYS  47          HB2       LYS  47 -11.602  -8.347 -13.725
  372   2HB   LYS  47          HB3       LYS  47 -10.874  -6.760 -13.471
  373   1HG   LYS  47          HG2       LYS  47 -13.044  -6.528 -14.510
  374   2HG   LYS  47          HG3       LYS  47 -11.795  -5.962 -15.618
  375   1HD   LYS  47          HD2       LYS  47 -11.956  -8.077 -16.904
  376   2HD   LYS  47          HD3       LYS  47 -13.147  -8.701 -15.739
  377   1HE   LYS  47          HE2       LYS  47 -14.674  -6.826 -16.311
  378   2HE   LYS  47          HE3       LYS  47 -13.484  -6.199 -17.458
  379   1HZ   LYS  47          HZ1       LYS  47 -14.836  -8.827 -17.679
  380   2HZ   LYS  47          HZ2       LYS  47 -15.178  -7.506 -18.566
  381   3HZ   LYS  47          HZ3       LYS  47 -13.738  -8.243 -18.741
  Start of MODEL   18
    1   1H    ALA   1          H1        ALA   1  -7.641  -3.780   1.933
    2   2H    ALA   1          H2        ALA   1  -8.156  -5.329   1.886
    3   3H    ALA   1          H3        ALA   1  -7.860  -4.608   3.333
    4    HA   ALA   1           HA       ALA   1  -5.528  -4.418   2.814
    5   1HB   ALA   1          HB1       ALA   1  -6.586  -7.270   2.532
    6   2HB   ALA   1          HB2       ALA   1  -4.935  -6.809   2.993
    7   3HB   ALA   1          HB3       ALA   1  -6.290  -6.417   4.066
    8    H    ILE   2           H        ILE   2  -3.728  -5.131   1.404
    9    HA   ILE   2           HA       ILE   2  -4.249  -4.762  -1.398
   10    HB   ILE   2           HB       ILE   2  -1.841  -5.455  -1.660
   11   1HG1  ILE   2          2HG1      ILE   2  -1.718  -5.465   1.383
   12   2HG1  ILE   2          3HG1      ILE   2  -1.801  -6.943   0.421
   13   1HG2  ILE   2          1HG2      ILE   2  -2.534  -3.114  -1.393
   14   2HG2  ILE   2          2HG2      ILE   2  -2.373  -3.246   0.373
   15   3HG2  ILE   2          3HG2      ILE   2  -0.952  -3.392  -0.682
   16   1HD1  ILE   2          1HD1      ILE   2   0.504  -6.462   1.033
   17   2HD1  ILE   2          2HD1      ILE   2   0.304  -6.342  -0.725
   18   3HD1  ILE   2          3HD1      ILE   2   0.428  -4.869   0.271
   19    H    LYS   3           H        LYS   3  -3.493  -6.297  -3.054
   20    HA   LYS   3           HA       LYS   3  -3.684  -9.173  -2.419
   21   1HB   LYS   3          HB2       LYS   3  -5.043  -7.803  -4.801
   22   2HB   LYS   3          HB3       LYS   3  -4.856  -9.546  -4.588
   23   1HG   LYS   3          HG2       LYS   3  -6.201  -9.364  -2.446
   24   2HG   LYS   3          HG3       LYS   3  -6.477  -7.662  -2.821
   25   1HD   LYS   3          HD2       LYS   3  -8.415  -8.885  -3.482
   26   2HD   LYS   3          HD3       LYS   3  -7.606  -8.342  -4.960
   27   1HE   LYS   3          HE2       LYS   3  -6.692 -10.565  -5.354
   28   2HE   LYS   3          HE3       LYS   3  -7.201 -11.114  -3.752
   29   1HZ   LYS   3          HZ1       LYS   3  -9.506 -10.891  -4.480
   30   2HZ   LYS   3          HZ2       LYS   3  -9.047 -10.421  -5.984
   31   3HZ   LYS   3          HZ3       LYS   3  -8.690 -11.916  -5.441
   32    H    LEU   4           H        LEU   4  -2.539 -10.395  -4.157
   33    HA   LEU   4           HA       LEU   4  -0.419  -8.789  -5.528
   34   1HB   LEU   4          HB2       LEU   4  -0.300 -11.682  -4.570
   35   2HB   LEU   4          HB3       LEU   4   0.946 -10.839  -5.489
   36    HG   LEU   4           HG       LEU   4   0.044 -10.179  -2.648
   37   1HD1  LEU   4          1HD1      LEU   4   2.656 -11.337  -3.702
   38   2HD1  LEU   4          2HD1      LEU   4   2.274 -10.963  -2.004
   39   3HD1  LEU   4          3HD1      LEU   4   1.381 -12.236  -2.849
   40   1HD2  LEU   4          1HD2      LEU   4   1.990  -8.605  -2.618
   41   2HD2  LEU   4          2HD2      LEU   4   2.168  -8.843  -4.373
   42   3HD2  LEU   4          3HD2      LEU   4   0.700  -8.094  -3.702
   43    H    VAL   5           H        VAL   5  -0.386  -9.052  -7.737
   44    HA   VAL   5           HA       VAL   5  -2.491 -10.812  -8.908
   45    HB   VAL   5           HB       VAL   5  -2.167  -7.853  -9.558
   46   1HG1  VAL   5          1HG1      VAL   5  -3.378  -9.172 -11.248
   47   2HG1  VAL   5          2HG1      VAL   5  -4.438  -9.847  -9.984
   48   3HG1  VAL   5          3HG1      VAL   5  -4.504  -8.121 -10.394
   49   1HG2  VAL   5          1HG2      VAL   5  -4.131  -9.026  -7.542
   50   2HG2  VAL   5          2HG2      VAL   5  -2.831  -7.856  -7.199
   51   3HG2  VAL   5          3HG2      VAL   5  -4.187  -7.378  -8.202
   52    H    GLN   6           H        GLN   6  -2.141 -11.338 -11.133
   53    HA   GLN   6           HA       GLN   6  -0.008 -10.058 -12.593
   54   1HB   GLN   6          HB2       GLN   6   1.073 -12.268 -13.195
   55   2HB   GLN   6          HB3       GLN   6   1.428 -11.662 -11.581
   56   1HG   GLN   6          HG2       GLN   6   0.185 -13.321 -10.500
   57   2HG   GLN   6          HG3       GLN   6  -0.812 -13.661 -11.911
   58   1HE2  GLN   6          2HE2      GLN   6   2.631 -13.935 -10.785
   59   2HE2  GLN   6          1HE2      GLN   6   2.997 -15.289 -11.836
   60    H    SER   7           H        SER   7  -0.414 -10.124 -14.786
   61    HA   SER   7           HA       SER   7  -1.996 -12.162 -16.041
   62   1HB   SER   7          HB2       SER   7  -3.181  -9.348 -15.951
   63   2HB   SER   7          HB3       SER   7  -3.812 -10.703 -16.884
   64    HG   SER   7           HG       SER   7  -3.526 -11.371 -14.284
   65    HA   PRO   8           HA       PRO   8   0.662 -10.581 -19.176
   66   1HB   PRO   8          HB2       PRO   8  -0.551 -11.283 -21.548
   67   2HB   PRO   8          HB3       PRO   8   0.230 -12.446 -20.435
   68   1HG   PRO   8          HG2       PRO   8  -2.716 -11.750 -20.634
   69   2HG   PRO   8          HG3       PRO   8  -1.963 -13.376 -20.566
   70   1HD   PRO   8          HD2       PRO   8  -2.991 -12.199 -18.349
   71   2HD   PRO   8          HD3       PRO   8  -1.484 -13.158 -18.260
   72    H    ASN   9           H        ASN   9  -2.719  -9.507 -19.315
   73    HA   ASN   9           HA       ASN   9  -2.238  -7.469 -21.281
   74   1HB   ASN   9          HB2       ASN   9  -4.495  -6.819 -20.969
   75   2HB   ASN   9          HB3       ASN   9  -4.428  -8.574 -20.966
   76   1HD2  ASN   9          2HD2      ASN   9  -6.709  -7.791 -20.055
   77   2HD2  ASN   9          1HD2      ASN   9  -6.828  -7.800 -18.305
   78    H    GLY  10           H        GLY  10  -1.633  -7.484 -17.858
   79   1HA   GLY  10          HA2       GLY  10  -1.100  -5.826 -16.363
   80   2HA   GLY  10          HA3       GLY  10  -0.404  -4.983 -17.758
   81    H    ASN  11           H        ASN  11  -3.829  -5.766 -17.010
   82    HA   ASN  11           HA       ASN  11  -4.795  -3.234 -17.877
   83   1HB   ASN  11          HB2       ASN  11  -6.153  -5.241 -18.010
   84   2HB   ASN  11          HB3       ASN  11  -6.125  -5.420 -16.254
   85   1HD2  ASN  11          1HD2      ASN  11  -8.372  -5.211 -15.913
   86   2HD2  ASN  11          2HD2      ASN  11  -9.245  -3.716 -16.241
   87    H    PHE  12           H        PHE  12  -3.371  -1.822 -16.623
   88    HA   PHE  12           HA       PHE  12  -3.501  -1.340 -13.877
   89   1HB   PHE  12          HB2       PHE  12  -1.876  -0.274 -15.321
   90   2HB   PHE  12          HB3       PHE  12  -3.136   0.502 -16.266
   91    HD1  PHE  12           HD1      PHE  12  -4.107   2.604 -15.615
   92    HD2  PHE  12           HD2      PHE  12  -1.407   0.540 -12.955
   93    HE1  PHE  12           HE1      PHE  12  -3.890   4.653 -14.236
   94    HE2  PHE  12           HE2      PHE  12  -1.214   2.587 -11.569
   95    HZ   PHE  12           HZ       PHE  12  -2.451   4.649 -12.206
   96    H    ALA  13           H        ALA  13  -5.127  -0.682 -12.567
   97    HA   ALA  13           HA       ALA  13  -7.670   0.225 -13.801
   98   1HB   ALA  13          HB1       ALA  13  -7.083  -1.106 -11.129
   99   2HB   ALA  13          HB2       ALA  13  -8.691  -0.766 -11.797
  100   3HB   ALA  13          HB3       ALA  13  -7.630  -1.936 -12.607
  101    H    ALA  14           H        ALA  14  -5.173   1.684 -12.147
  102    HA   ALA  14           HA       ALA  14  -4.789   3.398 -10.813
  103   1HB   ALA  14          HB1       ALA  14  -7.369   4.518 -11.956
  104   2HB   ALA  14          HB2       ALA  14  -6.058   5.436 -11.190
  105   3HB   ALA  14          HB3       ALA  14  -5.771   4.586 -12.721
  106    H    SER  15           H        SER  15  -8.392   3.183 -10.359
  107    HA   SER  15           HA       SER  15  -8.176   2.524  -7.590
  108   1HB   SER  15          HB2       SER  15  -9.207   4.747  -6.798
  109   2HB   SER  15          HB3       SER  15  -7.481   4.748  -7.167
  110    HG   SER  15           HG       SER  15  -8.563   6.558  -8.061
  111    H    PHE  16           H        PHE  16 -10.359   2.574  -6.521
  112    HA   PHE  16           HA       PHE  16 -12.733   2.752  -8.173
  113   1HB   PHE  16          HB2       PHE  16 -11.665   0.530  -8.832
  114   2HB   PHE  16          HB3       PHE  16 -11.818   0.029  -7.154
  115    HD1  PHE  16           HD1      PHE  16 -14.096   1.614  -9.739
  116    HD2  PHE  16           HD2      PHE  16 -13.487  -1.580  -6.895
  117    HE1  PHE  16           HE1      PHE  16 -16.321   0.676 -10.306
  118    HE2  PHE  16           HE2      PHE  16 -15.707  -2.519  -7.485
  119    HZ   PHE  16           HZ       PHE  16 -17.133  -1.387  -9.178
  120    H    VAL  17           H        VAL  17 -14.637   1.788  -6.721
  121    HA   VAL  17           HA       VAL  17 -14.066   1.928  -3.844
  122    HB   VAL  17           HB       VAL  17 -16.286   3.545  -5.168
  123   1HG1  VAL  17          1HG1      VAL  17 -16.938   2.619  -2.957
  124   2HG1  VAL  17          2HG1      VAL  17 -15.477   3.325  -2.231
  125   3HG1  VAL  17          3HG1      VAL  17 -16.750   4.372  -2.890
  126   1HG2  VAL  17          1HG2      VAL  17 -13.761   4.506  -3.750
  127   2HG2  VAL  17          2HG2      VAL  17 -14.159   4.730  -5.467
  128   3HG2  VAL  17          3HG2      VAL  17 -15.120   5.542  -4.235
  129    H    LEU  18           H        LEU  18 -15.212   0.312  -2.814
  130    HA   LEU  18           HA       LEU  18 -17.408  -1.100  -4.173
  131   1HB   LEU  18          HB2       LEU  18 -15.360  -2.104  -5.104
  132   2HB   LEU  18          HB3       LEU  18 -14.726  -2.402  -3.511
  133    HG   LEU  18           HG       LEU  18 -15.581  -4.369  -4.743
  134   1HD1  LEU  18          1HD1      LEU  18 -16.510  -5.524  -2.882
  135   2HD1  LEU  18          2HD1      LEU  18 -15.303  -4.387  -2.270
  136   3HD1  LEU  18          3HD1      LEU  18 -17.034  -4.029  -2.103
  137   1HD2  LEU  18          1HD2      LEU  18 -18.377  -3.326  -4.152
  138   2HD2  LEU  18          2HD2      LEU  18 -17.593  -3.329  -5.749
  139   3HD2  LEU  18          3HD2      LEU  18 -17.932  -4.857  -4.924
  140    H    ASP  19           H        ASP  19 -18.830  -1.605  -2.654
  141    HA   ASP  19           HA       ASP  19 -19.918  -1.483  -0.719
  142   1HB   ASP  19          HB2       ASP  19 -19.065  -3.782  -0.722
  143   2HB   ASP  19          HB3       ASP  19 -17.670  -3.275   0.237
  144    H    GLY  20           H        GLY  20 -18.536   0.819  -1.083
  145   1HA   GLY  20          HA2       GLY  20 -18.186   2.766   0.049
  146   2HA   GLY  20          HA3       GLY  20 -18.558   1.922   1.559
  147    H    THR  21           H        THR  21 -16.018   0.239   0.082
  148    HA   THR  21           HA       THR  21 -13.954   1.659   1.694
  149    HB   THR  21           HB       THR  21 -13.969  -1.092   0.366
  150    HG1  THR  21           HG1      THR  21 -15.440  -0.861   2.107
  151   1HG2  THR  21          1HG2      THR  21 -11.678  -0.306   0.678
  152   2HG2  THR  21          2HG2      THR  21 -12.025   0.151   2.363
  153   3HG2  THR  21          3HG2      THR  21 -12.040  -1.558   1.868
  154    H    LYS  22           H        LYS  22 -12.172   2.570   0.576
  155    HA   LYS  22           HA       LYS  22 -12.477   2.868  -2.365
  156   1HB   LYS  22          HB2       LYS  22 -12.209   4.895  -0.968
  157   2HB   LYS  22          HB3       LYS  22 -10.642   4.305  -0.397
  158   1HG   LYS  22          HG2       LYS  22  -9.705   4.415  -2.641
  159   2HG   LYS  22          HG3       LYS  22 -11.283   4.792  -3.345
  160   1HD   LYS  22          HD2       LYS  22  -9.785   6.572  -1.373
  161   2HD   LYS  22          HD3       LYS  22  -9.725   6.736  -3.136
  162   1HE   LYS  22          HE2       LYS  22 -12.197   7.070  -3.187
  163   2HE   LYS  22          HE3       LYS  22 -12.240   6.977  -1.422
  164   1HZ   LYS  22          HZ1       LYS  22 -10.785   9.033  -2.983
  165   2HZ   LYS  22          HZ2       LYS  22 -12.182   9.263  -2.179
  166   3HZ   LYS  22          HZ3       LYS  22 -10.817   8.943  -1.350
  167    H    TRP  23           H        TRP  23 -10.712   2.393  -3.744
  168    HA   TRP  23           HA       TRP  23  -8.709   0.409  -2.787
  169   1HB   TRP  23          HB2       TRP  23 -10.764   0.195  -5.035
  170   2HB   TRP  23          HB3       TRP  23  -9.485  -0.952  -4.778
  171    HD1  TRP  23           HD1      TRP  23 -12.758   0.191  -3.280
  172    HE1  TRP  23           HE1      TRP  23 -13.705  -1.557  -1.688
  173    HE3  TRP  23           HE3      TRP  23  -8.829  -3.092  -3.304
  174    HZ2  TRP  23           HZ2      TRP  23 -12.821  -4.063  -0.496
  175    HZ3  TRP  23           HZ3      TRP  23  -8.926  -5.174  -1.973
  176    HH2  TRP  23           HH2      TRP  23 -10.913  -5.669  -0.561
  177    H    ILE  24           H        ILE  24  -6.741   0.543  -4.087
  178    HA   ILE  24           HA       ILE  24  -6.554   2.582  -6.178
  179    HB   ILE  24           HB       ILE  24  -6.697   3.865  -4.088
  180   1HG1  ILE  24          2HG1      ILE  24  -3.897   4.153  -5.220
  181   2HG1  ILE  24          3HG1      ILE  24  -5.357   4.631  -6.093
  182   1HG2  ILE  24          1HG2      ILE  24  -5.669   2.215  -2.535
  183   2HG2  ILE  24          2HG2      ILE  24  -4.081   2.544  -3.255
  184   3HG2  ILE  24          3HG2      ILE  24  -4.954   3.815  -2.380
  185   1HD1  ILE  24          1HD1      ILE  24  -5.948   6.182  -4.227
  186   2HD1  ILE  24          2HD1      ILE  24  -4.405   5.775  -3.437
  187   3HD1  ILE  24          3HD1      ILE  24  -4.409   6.571  -5.016
  188    H    PHE  25           H        PHE  25  -4.433   2.731  -7.147
  189    HA   PHE  25           HA       PHE  25  -2.916   0.379  -7.494
  190   1HB   PHE  25          HB2       PHE  25  -2.990   2.186  -9.114
  191   2HB   PHE  25          HB3       PHE  25  -2.361   3.335  -7.942
  192    HD1  PHE  25           HD1      PHE  25  -0.096   3.944  -8.158
  193    HD2  PHE  25           HD2      PHE  25  -1.355   0.040  -9.490
  194    HE1  PHE  25           HE1      PHE  25   2.189   3.486  -9.005
  195    HE2  PHE  25           HE2      PHE  25   0.915  -0.417 -10.322
  196    HZ   PHE  25           HZ       PHE  25   2.703   1.315 -10.102
  197    H    LYS  26           H        LYS  26  -0.670  -0.067  -6.936
  198    HA   LYS  26           HA       LYS  26   0.503   1.503  -4.761
  199   1HB   LYS  26          HB2       LYS  26  -0.792  -0.408  -3.720
  200   2HB   LYS  26          HB3       LYS  26   0.338  -1.515  -4.461
  201   1HG   LYS  26          HG2       LYS  26   1.015   0.648  -2.431
  202   2HG   LYS  26          HG3       LYS  26   0.832  -1.081  -2.109
  203   1HD   LYS  26          HD2       LYS  26   2.740  -1.479  -3.761
  204   2HD   LYS  26          HD3       LYS  26   3.008   0.282  -3.719
  205   1HE   LYS  26          HE2       LYS  26   3.318   0.136  -1.242
  206   2HE   LYS  26          HE3       LYS  26   3.183  -1.625  -1.363
  207   1HZ   LYS  26          HZ1       LYS  26   5.487  -0.982  -1.397
  208   2HZ   LYS  26          HZ2       LYS  26   5.122  -1.545  -2.890
  209   3HZ   LYS  26          HZ3       LYS  26   5.267   0.055  -2.634
  210    H    SER  27           H        SER  27   1.265  -1.588  -6.635
  211    HA   SER  27           HA       SER  27   3.467  -0.139  -7.982
  212   1HB   SER  27          HB2       SER  27   3.896  -2.659  -6.314
  213   2HB   SER  27          HB3       SER  27   5.114  -1.850  -7.304
  214    HG   SER  27           HG       SER  27   4.990  -0.063  -5.910
  215    H    LYS  28           H        LYS  28   4.185  -1.225  -9.925
  216    HA   LYS  28           HA       LYS  28   3.264  -3.928 -10.451
  217   1HB   LYS  28          HB2       LYS  28   2.227  -3.498 -12.585
  218   2HB   LYS  28          HB3       LYS  28   1.362  -2.627 -11.326
  219   1HG   LYS  28          HG2       LYS  28   2.544  -0.516 -12.006
  220   2HG   LYS  28          HG3       LYS  28   3.368  -1.413 -13.289
  221   1HD   LYS  28          HD2       LYS  28   1.210  -1.931 -14.366
  222   2HD   LYS  28          HD3       LYS  28   0.345  -1.164 -13.032
  223   1HE   LYS  28          HE2       LYS  28   0.371   0.379 -14.873
  224   2HE   LYS  28          HE3       LYS  28   1.390   1.023 -13.587
  225   1HZ   LYS  28          HZ1       LYS  28   2.394  -0.365 -16.014
  226   2HZ   LYS  28          HZ2       LYS  28   2.388   1.246 -15.789
  227   3HZ   LYS  28          HZ3       LYS  28   3.337   0.318 -14.855
  228    H    TYR  29           H        TYR  29   4.441  -4.919 -12.231
  229    HA   TYR  29           HA       TYR  29   6.488  -3.417 -13.644
  230   1HB   TYR  29          HB2       TYR  29   8.368  -4.737 -12.898
  231   2HB   TYR  29          HB3       TYR  29   7.666  -3.922 -11.524
  232    HD1  TYR  29           HD1      TYR  29   8.611  -7.117 -12.951
  233    HD2  TYR  29           HD2      TYR  29   6.221  -5.263  -9.870
  234    HE1  TYR  29           HE1      TYR  29   8.565  -9.252 -11.704
  235    HE2  TYR  29           HE2      TYR  29   6.152  -7.398  -8.627
  236    HH   TYR  29           HH       TYR  29   6.875  -9.623  -8.556
  237    H    TYR  30           H        TYR  30   7.479  -4.853 -15.344
  238    HA   TYR  30           HA       TYR  30   5.635  -7.041 -16.149
  239   1HB   TYR  30          HB2       TYR  30   6.159  -5.239 -17.783
  240   2HB   TYR  30          HB3       TYR  30   7.859  -5.691 -17.715
  241    HD1  TYR  30           HD1      TYR  30   4.439  -7.083 -18.389
  242    HD2  TYR  30           HD2      TYR  30   8.654  -7.372 -19.229
  243    HE1  TYR  30           HE1      TYR  30   3.961  -8.751 -20.159
  244    HE2  TYR  30           HE2      TYR  30   8.197  -9.044 -20.992
  245    HH   TYR  30           HH       TYR  30   6.544 -10.159 -22.221
  246    H    ASP  31           H        ASP  31   6.256  -9.113 -15.726
  247    HA   ASP  31           HA       ASP  31   8.971  -9.591 -14.631
  248   1HB   ASP  31          HB2       ASP  31   7.085 -10.375 -13.296
  249   2HB   ASP  31          HB3       ASP  31   6.495 -11.352 -14.646
  250    H    SER  32           H        SER  32   9.896  -9.199 -16.758
  251    HA   SER  32           HA       SER  32   9.288 -10.405 -19.111
  252   1HB   SER  32          HB2       SER  32  12.136  -9.956 -18.158
  253   2HB   SER  32          HB3       SER  32  11.506  -9.838 -19.811
  254    HG   SER  32           HG       SER  32  11.793  -7.790 -18.791
  255    H    SER  33           H        SER  33  10.914 -12.034 -16.383
  256    HA   SER  33           HA       SER  33  11.957 -14.257 -17.812
  257   1HB   SER  33          HB2       SER  33  11.032 -14.134 -14.917
  258   2HB   SER  33          HB3       SER  33  12.246 -15.220 -15.613
  259    HG   SER  33           HG       SER  33  13.189 -13.411 -14.540
  260    H    LYS  34           H        LYS  34   8.672 -13.484 -16.878
  261    HA   LYS  34           HA       LYS  34   7.788 -16.243 -17.641
  262   1HB   LYS  34          HB2       LYS  34   6.585 -14.325 -15.610
  263   2HB   LYS  34          HB3       LYS  34   5.872 -15.855 -16.099
  264   1HG   LYS  34          HG2       LYS  34   8.538 -15.512 -14.655
  265   2HG   LYS  34          HG3       LYS  34   7.021 -15.997 -13.917
  266   1HD   LYS  34          HD2       LYS  34   8.574 -17.609 -15.988
  267   2HD   LYS  34          HD3       LYS  34   8.523 -17.898 -14.249
  268   1HE   LYS  34          HE2       LYS  34   6.070 -18.283 -14.376
  269   2HE   LYS  34          HE3       LYS  34   6.120 -18.030 -16.126
  270   1HZ   LYS  34          HZ1       LYS  34   6.174 -20.375 -15.573
  271   2HZ   LYS  34          HZ2       LYS  34   7.575 -19.968 -16.296
  272   3HZ   LYS  34          HZ3       LYS  34   7.523 -20.203 -14.679
  273    H    GLY  35           H        GLY  35   7.470 -12.800 -18.262
  274   1HA   GLY  35          HA2       GLY  35   6.707 -11.934 -20.244
  275   2HA   GLY  35          HA3       GLY  35   6.046 -13.507 -20.708
  276    H    TYR  36           H        TYR  36   5.320 -11.613 -17.707
  277    HA   TYR  36           HA       TYR  36   2.810 -10.666 -18.800
  278   1HB   TYR  36          HB2       TYR  36   1.499 -11.594 -16.814
  279   2HB   TYR  36          HB3       TYR  36   1.851 -12.668 -18.143
  280    HD1  TYR  36           HD1      TYR  36   3.612 -11.697 -14.912
  281    HD2  TYR  36           HD2      TYR  36   2.190 -14.856 -17.488
  282    HE1  TYR  36           HE1      TYR  36   4.423 -13.379 -13.296
  283    HE2  TYR  36           HE2      TYR  36   2.927 -16.538 -15.841
  284    HH   TYR  36           HH       TYR  36   3.904 -16.906 -13.754
  285    H    TRP  37           H        TRP  37   1.697  -9.205 -17.161
  286    HA   TRP  37           HA       TRP  37   3.700  -7.636 -15.677
  287   1HB   TRP  37          HB2       TRP  37   0.730  -7.320 -16.215
  288   2HB   TRP  37          HB3       TRP  37   1.597  -6.326 -15.059
  289    HD1  TRP  37           HD1      TRP  37   1.391  -6.953 -18.833
  290    HE1  TRP  37           HE1      TRP  37   2.447  -4.999 -20.085
  291    HE3  TRP  37           HE3      TRP  37   3.278  -4.381 -14.832
  292    HZ2  TRP  37           HZ2      TRP  37   4.041  -2.651 -19.440
  293    HZ3  TRP  37           HZ3      TRP  37   4.642  -2.335 -15.185
  294    HH2  TRP  37           HH2      TRP  37   5.032  -1.467 -17.484
  295    H    VAL  38           H        VAL  38   3.550  -7.324 -13.442
  296    HA   VAL  38           HA       VAL  38   1.858  -9.111 -11.824
  297    HB   VAL  38           HB       VAL  38   4.858  -8.722 -11.427
  298   1HG1  VAL  38          1HG1      VAL  38   2.869 -10.541  -9.993
  299   2HG1  VAL  38          2HG1      VAL  38   4.630 -10.587  -9.774
  300   3HG1  VAL  38          3HG1      VAL  38   3.734  -9.149  -9.305
  301   1HG2  VAL  38          1HG2      VAL  38   3.453 -11.179 -12.533
  302   2HG2  VAL  38          2HG2      VAL  38   4.652 -10.159 -13.356
  303   3HG2  VAL  38          3HG2      VAL  38   5.136 -11.132 -11.972
  304    H    GLY  39           H        GLY  39   1.524  -8.094  -9.649
  305   1HA   GLY  39          HA2       GLY  39   2.883  -5.606  -9.062
  306   2HA   GLY  39          HA3       GLY  39   1.208  -5.359  -9.564
  307    H    ILE  40           H        ILE  40   1.960  -4.512  -7.244
  308    HA   ILE  40           HA       ILE  40   0.717  -6.269  -5.191
  309    HB   ILE  40           HB       ILE  40   2.529  -3.834  -4.784
  310   1HG1  ILE  40          2HG1      ILE  40   3.241  -6.756  -4.263
  311   2HG1  ILE  40          3HG1      ILE  40   3.874  -5.784  -5.588
  312   1HG2  ILE  40          1HG2      ILE  40   1.409  -5.832  -2.769
  313   2HG2  ILE  40          2HG2      ILE  40   2.361  -4.380  -2.392
  314   3HG2  ILE  40          3HG2      ILE  40   0.744  -4.211  -3.060
  315   1HD1  ILE  40          1HD1      ILE  40   4.873  -4.204  -3.915
  316   2HD1  ILE  40          2HD1      ILE  40   4.394  -5.341  -2.629
  317   3HD1  ILE  40          3HD1      ILE  40   5.536  -5.849  -3.877
  318    H    TYR  41           H        TYR  41  -1.380  -5.459  -4.824
  319    HA   TYR  41           HA       TYR  41  -1.960  -2.717  -5.853
  320   1HB   TYR  41          HB2       TYR  41  -2.500  -5.280  -7.152
  321   2HB   TYR  41          HB3       TYR  41  -4.010  -4.548  -6.691
  322    HD1  TYR  41           HD1      TYR  41  -4.167  -1.901  -7.239
  323    HD2  TYR  41           HD2      TYR  41  -1.597  -4.717  -9.250
  324    HE1  TYR  41           HE1      TYR  41  -4.227  -0.488  -9.278
  325    HE2  TYR  41           HE2      TYR  41  -1.649  -3.304 -11.294
  326    HH   TYR  41           HH       TYR  41  -3.311  -0.126 -11.354
  327    H    GLU  42           H        GLU  42  -3.859  -1.789  -5.033
  328    HA   GLU  42           HA       GLU  42  -5.379  -3.385  -3.050
  329   1HB   GLU  42          HB2       GLU  42  -3.781  -1.411  -2.232
  330   2HB   GLU  42          HB3       GLU  42  -5.073  -0.376  -2.826
  331   1HG   GLU  42          HG2       GLU  42  -6.693  -1.620  -1.367
  332   2HG   GLU  42          HG3       GLU  42  -5.356  -2.600  -0.767
  333    H    VAL  43           H        VAL  43  -5.771  -3.242  -5.946
  334    HA   VAL  43           HA       VAL  43  -8.536  -2.661  -5.773
  335    HB   VAL  43           HB       VAL  43  -7.993  -0.383  -6.298
  336   1HG1  VAL  43          1HG1      VAL  43  -6.593  -1.280  -8.824
  337   2HG1  VAL  43          2HG1      VAL  43  -6.980   0.389  -8.371
  338   3HG1  VAL  43          3HG1      VAL  43  -5.846  -0.530  -7.391
  339   1HG2  VAL  43          1HG2      VAL  43 -10.025  -1.369  -7.337
  340   2HG2  VAL  43          2HG2      VAL  43  -9.361   0.031  -8.209
  341   3HG2  VAL  43          3HG2      VAL  43  -9.103  -1.604  -8.836
  342    H    TRP  44           H        TRP  44  -5.836  -3.403  -8.083
  343    HA   TRP  44           HA       TRP  44  -7.566  -4.467 -10.003
  344   1HB   TRP  44          HB2       TRP  44  -5.174  -3.747 -10.320
  345   2HB   TRP  44          HB3       TRP  44  -4.668  -5.259  -9.567
  346    HD1  TRP  44           HD1      TRP  44  -7.503  -5.116 -12.183
  347    HE1  TRP  44           HE1      TRP  44  -6.825  -6.358 -14.266
  348    HE3  TRP  44           HE3      TRP  44  -2.560  -5.871 -11.060
  349    HZ2  TRP  44           HZ2      TRP  44  -4.387  -7.471 -15.399
  350    HZ3  TRP  44           HZ3      TRP  44  -1.054  -6.925 -12.719
  351    HH2  TRP  44           HH2      TRP  44  -1.949  -7.727 -14.893
  352    H    ASP  45           H        ASP  45  -8.058  -6.609 -10.634
  353    HA   ASP  45           HA       ASP  45  -7.925  -8.679  -8.517
  354   1HB   ASP  45          HB2       ASP  45  -9.944  -7.216  -8.231
  355   2HB   ASP  45          HB3       ASP  45 -10.487  -7.708  -9.837
  356    H    ARG  46           H        ARG  46  -6.452  -8.579 -10.881
  357    HA   ARG  46           HA       ARG  46  -5.751  -9.885 -12.557
  358   1HB   ARG  46          HB2       ARG  46  -6.102 -11.432 -10.434
  359   2HB   ARG  46          HB3       ARG  46  -7.321 -12.216 -11.435
  360   1HG   ARG  46          HG2       ARG  46  -5.565 -12.548 -13.214
  361   2HG   ARG  46          HG3       ARG  46  -4.403 -11.737 -12.142
  362   1HD   ARG  46          HD2       ARG  46  -4.769 -13.529 -10.442
  363   2HD   ARG  46          HD3       ARG  46  -5.850 -14.350 -11.591
  364    HE   ARG  46           HE       ARG  46  -3.251 -13.722 -12.721
  365   1HH1  ARG  46          1HH2      ARG  46  -4.944 -16.104 -10.698
  366   2HH1  ARG  46          2HH2      ARG  46  -3.869 -17.402 -11.064
  367   1HH2  ARG  46          1HH1      ARG  46  -1.806 -15.450 -13.208
  368   2HH2  ARG  46          2HH1      ARG  46  -2.044 -17.014 -12.532
  369    H    LYS  47           H        LYS  47  -7.770  -8.328 -13.493
  370    HA   LYS  47           HA       LYS  47  -8.742  -9.975 -15.719
  371   1HB   LYS  47          HB2       LYS  47 -10.672  -9.816 -14.135
  372   2HB   LYS  47          HB3       LYS  47 -10.539  -8.048 -14.169
  373   1HG   LYS  47          HG2       LYS  47 -11.004  -8.053 -16.604
  374   2HG   LYS  47          HG3       LYS  47 -11.079  -9.826 -16.595
  375   1HD   LYS  47          HD2       LYS  47 -13.021  -9.733 -15.053
  376   2HD   LYS  47          HD3       LYS  47 -12.935  -7.956 -15.053
  377   1HE   LYS  47          HE2       LYS  47 -13.294  -7.946 -17.516
  378   2HE   LYS  47          HE3       LYS  47 -13.388  -9.711 -17.510
  379   1HZ   LYS  47          HZ1       LYS  47 -15.579  -8.710 -17.498
  380   2HZ   LYS  47          HZ2       LYS  47 -15.363  -9.537 -16.111
  381   3HZ   LYS  47          HZ3       LYS  47 -15.277  -7.903 -16.117
  Start of MODEL   19
    1   1H    ALA   1          H1        ALA   1  -8.088  -5.684   1.699
    2   2H    ALA   1          H2        ALA   1  -7.848  -4.949   3.152
    3   3H    ALA   1          H3        ALA   1  -7.679  -4.103   1.755
    4    HA   ALA   1           HA       ALA   1  -5.532  -4.596   2.640
    5   1HB   ALA   1          HB1       ALA   1  -6.383  -7.518   2.354
    6   2HB   ALA   1          HB2       ALA   1  -4.770  -6.938   2.810
    7   3HB   ALA   1          HB3       ALA   1  -6.144  -6.647   3.887
    8    H    ILE   2           H        ILE   2  -3.698  -5.113   1.223
    9    HA   ILE   2           HA       ILE   2  -4.204  -4.827  -1.580
   10    HB   ILE   2           HB       ILE   2  -1.774  -5.549  -1.796
   11   1HG1  ILE   2          2HG1      ILE   2  -1.697  -5.308   1.243
   12   2HG1  ILE   2          3HG1      ILE   2  -1.730  -6.857   0.397
   13   1HG2  ILE   2          1HG2      ILE   2  -2.409  -3.180   0.010
   14   2HG2  ILE   2          2HG2      ILE   2  -0.949  -3.383  -0.982
   15   3HG2  ILE   2          3HG2      ILE   2  -2.512  -3.226  -1.765
   16   1HD1  ILE   2          1HD1      ILE   2   0.378  -6.309  -0.752
   17   2HD1  ILE   2          2HD1      ILE   2   0.454  -4.753   0.112
   18   3HD1  ILE   2          3HD1      ILE   2   0.550  -6.273   1.011
   19    H    LYS   3           H        LYS   3  -3.848  -6.250  -3.250
   20    HA   LYS   3           HA       LYS   3  -3.904  -9.180  -2.708
   21   1HB   LYS   3          HB2       LYS   3  -5.255  -7.482  -4.854
   22   2HB   LYS   3          HB3       LYS   3  -4.711  -9.103  -5.239
   23   1HG   LYS   3          HG2       LYS   3  -7.033  -9.173  -4.705
   24   2HG   LYS   3          HG3       LYS   3  -6.111 -10.083  -3.508
   25   1HD   LYS   3          HD2       LYS   3  -6.406  -8.288  -1.856
   26   2HD   LYS   3          HD3       LYS   3  -7.131  -7.240  -3.082
   27   1HE   LYS   3          HE2       LYS   3  -8.887  -8.146  -1.697
   28   2HE   LYS   3          HE3       LYS   3  -9.029  -8.820  -3.322
   29   1HZ   LYS   3          HZ1       LYS   3  -9.322 -10.499  -1.604
   30   2HZ   LYS   3          HZ2       LYS   3  -8.012 -10.863  -2.495
   31   3HZ   LYS   3          HZ3       LYS   3  -7.837 -10.228  -0.994
   32    H    LEU   4           H        LEU   4  -2.656 -10.313  -4.409
   33    HA   LEU   4           HA       LEU   4  -0.489  -8.694  -5.668
   34   1HB   LEU   4          HB2       LEU   4  -0.335 -11.571  -4.662
   35   2HB   LEU   4          HB3       LEU   4   0.921 -10.715  -5.552
   36    HG   LEU   4           HG       LEU   4  -0.071 -10.034  -2.745
   37   1HD1  LEU   4          1HD1      LEU   4   2.580 -11.196  -3.700
   38   2HD1  LEU   4          2HD1      LEU   4   2.144 -10.795  -2.022
   39   3HD1  LEU   4          3HD1      LEU   4   1.287 -12.091  -2.869
   40   1HD2  LEU   4          1HD2      LEU   4   1.879  -8.462  -2.685
   41   2HD2  LEU   4          2HD2      LEU   4   2.110  -8.734  -4.429
   42   3HD2  LEU   4          3HD2      LEU   4   0.624  -7.969  -3.819
   43    H    VAL   5           H        VAL   5  -0.369  -9.049  -7.882
   44    HA   VAL   5           HA       VAL   5  -2.434 -10.871  -9.036
   45    HB   VAL   5           HB       VAL   5  -2.060  -7.991  -9.914
   46   1HG1  VAL   5          1HG1      VAL   5  -4.389  -9.961 -10.120
   47   2HG1  VAL   5          2HG1      VAL   5  -4.382  -8.308 -10.761
   48   3HG1  VAL   5          3HG1      VAL   5  -3.283  -9.504 -11.442
   49   1HG2  VAL   5          1HG2      VAL   5  -4.046  -8.906  -7.793
   50   2HG2  VAL   5          2HG2      VAL   5  -2.730  -7.725  -7.578
   51   3HG2  VAL   5          3HG2      VAL   5  -4.083  -7.343  -8.632
   52    H    GLN   6           H        GLN   6  -1.954 -11.604 -11.150
   53    HA   GLN   6           HA       GLN   6   0.569 -10.793 -12.444
   54   1HB   GLN   6          HB2       GLN   6  -0.099 -13.685 -11.704
   55   2HB   GLN   6          HB3       GLN   6   1.271 -13.133 -12.669
   56   1HG   GLN   6          HG2       GLN   6   2.071 -11.867 -10.634
   57   2HG   GLN   6          HG3       GLN   6   0.802 -12.649  -9.698
   58   1HE2  GLN   6          2HE2      GLN   6   4.036 -12.864 -10.256
   59   2HE2  GLN   6          1HE2      GLN   6   4.264 -14.587 -10.107
   60    H    SER   7           H        SER   7  -0.306 -10.221 -14.488
   61    HA   SER   7           HA       SER   7  -1.845 -12.247 -15.892
   62   1HB   SER   7          HB2       SER   7  -3.200  -9.556 -15.791
   63   2HB   SER   7          HB3       SER   7  -3.854 -11.123 -16.263
   64    HG   SER   7           HG       SER   7  -3.283 -10.132 -13.678
   65    HA   PRO   8           HA       PRO   8   0.578 -10.499 -19.170
   66   1HB   PRO   8          HB2       PRO   8  -1.801 -11.054 -20.940
   67   2HB   PRO   8          HB3       PRO   8  -0.075 -11.437 -21.218
   68   1HG   PRO   8          HG2       PRO   8  -1.796 -13.362 -20.390
   69   2HG   PRO   8          HG3       PRO   8  -0.154 -13.254 -19.680
   70   1HD   PRO   8          HD2       PRO   8  -2.772 -12.300 -18.516
   71   2HD   PRO   8          HD3       PRO   8  -1.398 -13.131 -17.725
   72    H    ASN   9           H        ASN   9  -2.824  -9.381 -18.978
   73    HA   ASN   9           HA       ASN   9  -2.425  -7.219 -20.795
   74   1HB   ASN   9          HB2       ASN   9  -4.666  -6.544 -20.287
   75   2HB   ASN   9          HB3       ASN   9  -4.613  -8.289 -20.443
   76   1HD2  ASN   9          2HD2      ASN   9  -5.613  -9.456 -18.747
   77   2HD2  ASN   9          1HD2      ASN   9  -6.015  -8.747 -17.196
   78    H    GLY  10           H        GLY  10  -1.854  -7.378 -17.326
   79   1HA   GLY  10          HA2       GLY  10  -1.166  -5.828 -15.799
   80   2HA   GLY  10          HA3       GLY  10  -0.352  -5.078 -17.175
   81    H    ASN  11           H        ASN  11  -3.897  -5.185 -16.927
   82    HA   ASN  11           HA       ASN  11  -4.299  -2.566 -17.677
   83   1HB   ASN  11          HB2       ASN  11  -6.076  -4.160 -17.788
   84   2HB   ASN  11          HB3       ASN  11  -5.978  -4.478 -16.057
   85   1HD2  ASN  11          2HD2      ASN  11  -8.143  -4.019 -15.651
   86   2HD2  ASN  11          1HD2      ASN  11  -8.792  -2.378 -15.721
   87    H    PHE  12           H        PHE  12  -3.631  -0.728 -16.756
   88    HA   PHE  12           HA       PHE  12  -3.228  -0.412 -13.908
   89   1HB   PHE  12          HB2       PHE  12  -1.763   0.760 -15.382
   90   2HB   PHE  12          HB3       PHE  12  -3.099   1.479 -16.268
   91    HD1  PHE  12           HD1      PHE  12  -3.835   3.644 -15.710
   92    HD2  PHE  12           HD2      PHE  12  -1.572   1.385 -12.812
   93    HE1  PHE  12           HE1      PHE  12  -3.740   5.630 -14.232
   94    HE2  PHE  12           HE2      PHE  12  -1.500   3.372 -11.333
   95    HZ   PHE  12           HZ       PHE  12  -2.580   5.498 -12.036
   96    H    ALA  13           H        ALA  13  -5.091  -0.584 -12.733
   97    HA   ALA  13           HA       ALA  13  -7.630   0.435 -13.685
   98   1HB   ALA  13          HB1       ALA  13  -8.478  -0.480 -11.557
   99   2HB   ALA  13          HB2       ALA  13  -7.435  -1.649 -12.390
  100   3HB   ALA  13          HB3       ALA  13  -6.812  -0.731 -10.997
  101    H    ALA  14           H        ALA  14  -5.090   1.976 -12.018
  102    HA   ALA  14           HA       ALA  14  -4.745   3.710 -10.703
  103   1HB   ALA  14          HB1       ALA  14  -6.015   5.742 -11.013
  104   2HB   ALA  14          HB2       ALA  14  -5.729   4.955 -12.577
  105   3HB   ALA  14          HB3       ALA  14  -7.328   4.857 -11.811
  106    H    SER  15           H        SER  15  -8.351   3.432 -10.287
  107    HA   SER  15           HA       SER  15  -8.136   2.634  -7.545
  108   1HB   SER  15          HB2       SER  15  -9.204   4.792  -6.650
  109   2HB   SER  15          HB3       SER  15  -7.482   4.854  -7.024
  110    HG   SER  15           HG       SER  15  -8.612   6.677  -7.825
  111    H    PHE  16           H        PHE  16 -10.327   2.641  -6.478
  112    HA   PHE  16           HA       PHE  16 -12.700   2.868  -8.126
  113   1HB   PHE  16          HB2       PHE  16 -11.651   0.654  -8.830
  114   2HB   PHE  16          HB3       PHE  16 -11.795   0.120  -7.161
  115    HD1  PHE  16           HD1      PHE  16 -14.035   1.726  -9.763
  116    HD2  PHE  16           HD2      PHE  16 -13.529  -1.414  -6.837
  117    HE1  PHE  16           HE1      PHE  16 -16.281   0.835 -10.320
  118    HE2  PHE  16           HE2      PHE  16 -15.767  -2.311  -7.425
  119    HZ   PHE  16           HZ       PHE  16 -17.150  -1.184  -9.157
  120    H    VAL  17           H        VAL  17 -14.600   1.818  -6.654
  121    HA   VAL  17           HA       VAL  17 -13.989   1.866  -3.806
  122    HB   VAL  17           HB       VAL  17 -14.452   4.212  -4.278
  123   1HG1  VAL  17          1HG1      VAL  17 -16.615   5.042  -5.015
  124   2HG1  VAL  17          2HG1      VAL  17 -15.906   4.023  -6.271
  125   3HG1  VAL  17          3HG1      VAL  17 -17.217   3.391  -5.249
  126   1HG2  VAL  17          1HG2      VAL  17 -16.712   2.894  -2.728
  127   2HG2  VAL  17          2HG2      VAL  17 -15.106   3.339  -2.105
  128   3HG2  VAL  17          3HG2      VAL  17 -16.223   4.598  -2.630
  129    H    LEU  18           H        LEU  18 -15.283   0.394  -2.738
  130    HA   LEU  18           HA       LEU  18 -17.564  -0.883  -4.100
  131   1HB   LEU  18          HB2       LEU  18 -15.627  -2.095  -5.019
  132   2HB   LEU  18          HB3       LEU  18 -14.945  -2.278  -3.412
  133    HG   LEU  18           HG       LEU  18 -16.863  -3.735  -2.750
  134   1HD1  LEU  18          1HD1      LEU  18 -18.587  -2.965  -4.343
  135   2HD1  LEU  18          2HD1      LEU  18 -17.606  -3.544  -5.707
  136   3HD1  LEU  18          3HD1      LEU  18 -18.292  -4.693  -4.539
  137   1HD2  LEU  18          1HD2      LEU  18 -15.310  -4.627  -5.214
  138   2HD2  LEU  18          2HD2      LEU  18 -14.734  -4.679  -3.535
  139   3HD2  LEU  18          3HD2      LEU  18 -16.099  -5.691  -4.027
  140    H    ASP  19           H        ASP  19 -19.020  -1.315  -2.556
  141    HA   ASP  19           HA       ASP  19 -20.051  -1.301  -0.574
  142   1HB   ASP  19          HB2       ASP  19 -19.322  -3.628  -0.866
  143   2HB   ASP  19          HB3       ASP  19 -17.877  -3.302   0.096
  144    H    GLY  20           H        GLY  20 -18.598   0.965  -0.704
  145   1HA   GLY  20          HA2       GLY  20 -18.139   2.736   0.655
  146   2HA   GLY  20          HA3       GLY  20 -18.493   1.719   2.057
  147    H    THR  21           H        THR  21 -16.025   0.347   0.070
  148    HA   THR  21           HA       THR  21 -13.851   1.474   1.780
  149    HB   THR  21           HB       THR  21 -14.059  -1.225   0.369
  150    HG1  THR  21           HG1      THR  21 -15.471  -1.042   2.128
  151   1HG2  THR  21          1HG2      THR  21 -12.002  -0.171   2.360
  152   2HG2  THR  21          2HG2      THR  21 -12.114  -1.849   1.778
  153   3HG2  THR  21          3HG2      THR  21 -11.723  -0.553   0.646
  154    H    LYS  22           H        LYS  22 -12.159   2.441   0.649
  155    HA   LYS  22           HA       LYS  22 -12.495   2.756  -2.283
  156   1HB   LYS  22          HB2       LYS  22 -12.208   4.749  -0.802
  157   2HB   LYS  22          HB3       LYS  22 -10.591   4.172  -0.366
  158   1HG   LYS  22          HG2       LYS  22  -9.854   4.358  -2.699
  159   2HG   LYS  22          HG3       LYS  22 -11.487   4.779  -3.227
  160   1HD   LYS  22          HD2       LYS  22  -9.777   6.445  -1.329
  161   2HD   LYS  22          HD3       LYS  22  -9.909   6.706  -3.075
  162   1HE   LYS  22          HE2       LYS  22 -12.371   7.050  -2.830
  163   2HE   LYS  22          HE3       LYS  22 -12.214   6.866  -1.079
  164   1HZ   LYS  22          HZ1       LYS  22 -10.932   8.997  -2.689
  165   2HZ   LYS  22          HZ2       LYS  22 -12.226   9.185  -1.719
  166   3HZ   LYS  22          HZ3       LYS  22 -10.777   8.824  -1.069
  167    H    TRP  23           H        TRP  23 -10.712   2.337  -3.686
  168    HA   TRP  23           HA       TRP  23  -8.712   0.335  -2.769
  169   1HB   TRP  23          HB2       TRP  23 -10.775   0.142  -5.015
  170   2HB   TRP  23          HB3       TRP  23  -9.496  -1.009  -4.772
  171    HD1  TRP  23           HD1      TRP  23 -12.802   0.053  -3.317
  172    HE1  TRP  23           HE1      TRP  23 -13.705  -1.692  -1.707
  173    HE3  TRP  23           HE3      TRP  23  -8.785  -3.115  -3.260
  174    HZ2  TRP  23           HZ2      TRP  23 -12.808  -4.212  -0.560
  175    HZ3  TRP  23           HZ3      TRP  23  -8.837  -5.183  -1.917
  176    HH2  TRP  23           HH2      TRP  23 -10.847  -5.752  -0.566
  177    H    ILE  24           H        ILE  24  -6.749   0.485  -4.083
  178    HA   ILE  24           HA       ILE  24  -6.557   2.608  -6.087
  179    HB   ILE  24           HB       ILE  24  -6.720   3.800  -3.942
  180   1HG1  ILE  24          2HG1      ILE  24  -3.928   4.141  -5.079
  181   2HG1  ILE  24          3HG1      ILE  24  -5.398   4.670  -5.903
  182   1HG2  ILE  24          1HG2      ILE  24  -4.094   2.471  -3.153
  183   2HG2  ILE  24          2HG2      ILE  24  -4.989   3.694  -2.229
  184   3HG2  ILE  24          3HG2      ILE  24  -5.682   2.094  -2.456
  185   1HD1  ILE  24          1HD1      ILE  24  -5.952   6.116  -3.941
  186   2HD1  ILE  24          2HD1      ILE  24  -4.392   5.665  -3.207
  187   3HD1  ILE  24          3HD1      ILE  24  -4.428   6.548  -4.741
  188    H    PHE  25           H        PHE  25  -4.479   2.775  -7.076
  189    HA   PHE  25           HA       PHE  25  -2.944   0.440  -7.465
  190   1HB   PHE  25          HB2       PHE  25  -3.096   2.257  -9.074
  191   2HB   PHE  25          HB3       PHE  25  -2.446   3.404  -7.913
  192    HD1  PHE  25           HD1      PHE  25  -1.321   0.046  -9.260
  193    HD2  PHE  25           HD2      PHE  25  -0.324   4.171  -8.501
  194    HE1  PHE  25           HE1      PHE  25   0.903  -0.324 -10.229
  195    HE2  PHE  25           HE2      PHE  25   1.925   3.794  -9.473
  196    HZ   PHE  25           HZ       PHE  25   2.550   1.553 -10.350
  197    H    LYS  26           H        LYS  26  -0.737  -0.044  -6.909
  198    HA   LYS  26           HA       LYS  26   0.513   1.584  -4.815
  199   1HB   LYS  26          HB2       LYS  26  -0.705  -0.362  -3.717
  200   2HB   LYS  26          HB3       LYS  26   0.448  -1.433  -4.483
  201   1HG   LYS  26          HG2       LYS  26   1.105   0.775  -2.495
  202   2HG   LYS  26          HG3       LYS  26   1.000  -0.956  -2.154
  203   1HD   LYS  26          HD2       LYS  26   2.853  -1.306  -3.865
  204   2HD   LYS  26          HD3       LYS  26   3.055   0.465  -3.870
  205   1HE   LYS  26          HE2       LYS  26   3.461   0.382  -1.404
  206   2HE   LYS  26          HE3       LYS  26   3.382  -1.385  -1.482
  207   1HZ   LYS  26          HZ1       LYS  26   5.255  -1.279  -3.082
  208   2HZ   LYS  26          HZ2       LYS  26   5.356   0.332  -2.873
  209   3HZ   LYS  26          HZ3       LYS  26   5.661  -0.665  -1.620
  210    H    SER  27           H        SER  27   1.264  -1.510  -6.693
  211    HA   SER  27           HA       SER  27   3.393  -0.030  -8.122
  212   1HB   SER  27          HB2       SER  27   3.926  -2.494  -6.397
  213   2HB   SER  27          HB3       SER  27   5.096  -1.706  -7.461
  214    HG   SER  27           HG       SER  27   5.001   0.127  -6.142
  215    H    LYS  28           H        LYS  28   4.137  -1.141 -10.033
  216    HA   LYS  28           HA       LYS  28   3.203  -3.847 -10.547
  217   1HB   LYS  28          HB2       LYS  28   2.290  -3.369 -12.766
  218   2HB   LYS  28          HB3       LYS  28   1.329  -2.631 -11.490
  219   1HG   LYS  28          HG2       LYS  28   2.353  -0.424 -11.965
  220   2HG   LYS  28          HG3       LYS  28   3.357  -1.128 -13.221
  221   1HD   LYS  28          HD2       LYS  28   0.311  -1.265 -13.320
  222   2HD   LYS  28          HD3       LYS  28   1.234   0.113 -13.941
  223   1HE   LYS  28          HE2       LYS  28   2.551  -1.424 -15.390
  224   2HE   LYS  28          HE3       LYS  28   1.553  -2.782 -14.859
  225   1HZ   LYS  28          HZ1       LYS  28   0.898  -1.784 -17.003
  226   2HZ   LYS  28          HZ2       LYS  28  -0.328  -1.812 -15.945
  227   3HZ   LYS  28          HZ3       LYS  28   0.476  -0.399 -16.259
  228    H    TYR  29           H        TYR  29   4.469  -4.902 -12.193
  229    HA   TYR  29           HA       TYR  29   6.545  -3.438 -13.604
  230   1HB   TYR  29          HB2       TYR  29   8.424  -4.630 -12.756
  231   2HB   TYR  29          HB3       TYR  29   7.630  -3.883 -11.391
  232    HD1  TYR  29           HD1      TYR  29   6.236  -5.335  -9.803
  233    HD2  TYR  29           HD2      TYR  29   8.758  -6.999 -12.887
  234    HE1  TYR  29           HE1      TYR  29   6.242  -7.513  -8.623
  235    HE2  TYR  29           HE2      TYR  29   8.764  -9.175 -11.722
  236    HH   TYR  29           HH       TYR  29   8.042 -10.374  -9.856
  237    H    TYR  30           H        TYR  30   7.563  -4.897 -15.254
  238    HA   TYR  30           HA       TYR  30   5.690  -7.051 -16.063
  239   1HB   TYR  30          HB2       TYR  30   6.330  -5.266 -17.683
  240   2HB   TYR  30          HB3       TYR  30   8.003  -5.805 -17.580
  241    HD1  TYR  30           HD1      TYR  30   4.531  -6.937 -18.431
  242    HD2  TYR  30           HD2      TYR  30   8.755  -7.630 -18.958
  243    HE1  TYR  30           HE1      TYR  30   4.031  -8.545 -20.248
  244    HE2  TYR  30           HE2      TYR  30   8.272  -9.232 -20.775
  245    HH   TYR  30           HH       TYR  30   6.619 -10.202 -22.115
  246    H    ASP  31           H        ASP  31   6.227  -9.156 -15.672
  247    HA   ASP  31           HA       ASP  31   8.941  -9.732 -14.613
  248   1HB   ASP  31          HB2       ASP  31   7.138 -10.467 -13.183
  249   2HB   ASP  31          HB3       ASP  31   6.398 -11.374 -14.515
  250    H    SER  32           H        SER  32   9.973  -9.554 -16.648
  251    HA   SER  32           HA       SER  32   9.384 -10.912 -18.978
  252   1HB   SER  32          HB2       SER  32  12.170 -10.441 -17.862
  253   2HB   SER  32          HB3       SER  32  11.676 -10.486 -19.564
  254    HG   SER  32           HG       SER  32  11.930  -8.345 -18.774
  255    H    SER  33           H        SER  33  10.382 -12.413 -15.959
  256    HA   SER  33           HA       SER  33  11.715 -14.704 -17.002
  257   1HB   SER  33          HB2       SER  33   9.982 -14.823 -14.538
  258   2HB   SER  33          HB3       SER  33  11.552 -15.575 -14.845
  259    HG   SER  33           HG       SER  33  10.831 -12.971 -14.118
  260    H    LYS  34           H        LYS  34   8.290 -13.828 -16.793
  261    HA   LYS  34           HA       LYS  34   7.542 -16.449 -18.023
  262   1HB   LYS  34          HB2       LYS  34   6.098 -14.939 -15.808
  263   2HB   LYS  34          HB3       LYS  34   5.429 -16.320 -16.671
  264   1HG   LYS  34          HG2       LYS  34   7.945 -16.411 -14.951
  265   2HG   LYS  34          HG3       LYS  34   6.332 -16.911 -14.447
  266   1HD   LYS  34          HD2       LYS  34   6.293 -18.641 -16.234
  267   2HD   LYS  34          HD3       LYS  34   7.943 -18.183 -16.704
  268   1HE   LYS  34          HE2       LYS  34   8.735 -18.715 -14.403
  269   2HE   LYS  34          HE3       LYS  34   7.097 -19.219 -13.966
  270   1HZ   LYS  34          HZ1       LYS  34   8.778 -20.496 -16.047
  271   2HZ   LYS  34          HZ2       LYS  34   8.463 -21.108 -14.572
  272   3HZ   LYS  34          HZ3       LYS  34   7.258 -20.960 -15.656
  273    H    GLY  35           H        GLY  35   7.318 -12.980 -18.166
  274   1HA   GLY  35          HA2       GLY  35   6.756 -11.828 -20.057
  275   2HA   GLY  35          HA3       GLY  35   6.087 -13.293 -20.791
  276    H    TYR  36           H        TYR  36   5.277 -11.609 -17.679
  277    HA   TYR  36           HA       TYR  36   2.811 -10.581 -18.808
  278   1HB   TYR  36          HB2       TYR  36   1.437 -11.513 -16.891
  279   2HB   TYR  36          HB3       TYR  36   1.826 -12.597 -18.201
  280    HD1  TYR  36           HD1      TYR  36   3.378 -11.623 -14.865
  281    HD2  TYR  36           HD2      TYR  36   2.186 -14.784 -17.551
  282    HE1  TYR  36           HE1      TYR  36   4.083 -13.304 -13.198
  283    HE2  TYR  36           HE2      TYR  36   2.825 -16.466 -15.862
  284    HH   TYR  36           HH       TYR  36   3.670 -16.831 -13.716
  285    H    TRP  37           H        TRP  37   1.696  -9.123 -17.172
  286    HA   TRP  37           HA       TRP  37   3.718  -7.607 -15.667
  287   1HB   TRP  37          HB2       TRP  37   0.768  -7.229 -16.234
  288   2HB   TRP  37          HB3       TRP  37   1.627  -6.263 -15.048
  289    HD1  TRP  37           HD1      TRP  37   1.329  -6.728 -18.811
  290    HE1  TRP  37           HE1      TRP  37   2.472  -4.798 -20.020
  291    HE3  TRP  37           HE3      TRP  37   3.519  -4.481 -14.784
  292    HZ2  TRP  37           HZ2      TRP  37   4.209  -2.565 -19.327
  293    HZ3  TRP  37           HZ3      TRP  37   4.940  -2.460 -15.085
  294    HH2  TRP  37           HH2      TRP  37   5.292  -1.503 -17.349
  295    H    VAL  38           H        VAL  38   3.588  -7.277 -13.459
  296    HA   VAL  38           HA       VAL  38   1.922  -9.068 -11.815
  297    HB   VAL  38           HB       VAL  38   4.931  -8.584 -11.560
  298   1HG1  VAL  38          1HG1      VAL  38   4.788 -10.269  -9.678
  299   2HG1  VAL  38          2HG1      VAL  38   4.046  -8.714  -9.327
  300   3HG1  VAL  38          3HG1      VAL  38   3.019 -10.096  -9.730
  301   1HG2  VAL  38          1HG2      VAL  38   3.370 -11.085 -12.309
  302   2HG2  VAL  38          2HG2      VAL  38   4.564 -10.216 -13.285
  303   3HG2  VAL  38          3HG2      VAL  38   5.092 -11.084 -11.846
  304    H    GLY  39           H        GLY  39   1.477  -8.014  -9.700
  305   1HA   GLY  39          HA2       GLY  39   2.781  -5.495  -9.139
  306   2HA   GLY  39          HA3       GLY  39   1.100  -5.274  -9.638
  307    H    ILE  40           H        ILE  40   1.954  -4.438  -7.294
  308    HA   ILE  40           HA       ILE  40   0.657  -6.164  -5.243
  309    HB   ILE  40           HB       ILE  40   2.447  -3.708  -4.843
  310   1HG1  ILE  40          2HG1      ILE  40   3.172  -6.618  -4.289
  311   2HG1  ILE  40          3HG1      ILE  40   3.814  -5.642  -5.608
  312   1HG2  ILE  40          1HG2      ILE  40   1.301  -5.670  -2.809
  313   2HG2  ILE  40          2HG2      ILE  40   2.254  -4.215  -2.445
  314   3HG2  ILE  40          3HG2      ILE  40   0.648  -4.051  -3.136
  315   1HD1  ILE  40          1HD1      ILE  40   4.291  -5.179  -2.646
  316   2HD1  ILE  40          2HD1      ILE  40   5.454  -5.690  -3.875
  317   3HD1  ILE  40          3HD1      ILE  40   4.780  -4.049  -3.936
  318    H    TYR  41           H        TYR  41  -1.473  -5.406  -5.009
  319    HA   TYR  41           HA       TYR  41  -2.058  -2.664  -6.015
  320   1HB   TYR  41          HB2       TYR  41  -2.320  -5.123  -7.511
  321   2HB   TYR  41          HB3       TYR  41  -3.930  -4.610  -7.082
  322    HD1  TYR  41           HD1      TYR  41  -1.522  -4.367  -9.589
  323    HD2  TYR  41           HD2      TYR  41  -4.221  -1.874  -7.343
  324    HE1  TYR  41           HE1      TYR  41  -1.637  -2.781 -11.494
  325    HE2  TYR  41           HE2      TYR  41  -4.341  -0.284  -9.243
  326    HH   TYR  41           HH       TYR  41  -3.461   0.306 -11.262
  327    H    GLU  42           H        GLU  42  -3.745  -1.705  -4.931
  328    HA   GLU  42           HA       GLU  42  -5.360  -3.443  -3.135
  329   1HB   GLU  42          HB2       GLU  42  -3.830  -1.487  -2.225
  330   2HB   GLU  42          HB3       GLU  42  -5.104  -0.439  -2.824
  331   1HG   GLU  42          HG2       GLU  42  -6.766  -1.727  -1.443
  332   2HG   GLU  42          HG3       GLU  42  -5.447  -2.734  -0.851
  333    H    VAL  43           H        VAL  43  -5.791  -3.278  -6.005
  334    HA   VAL  43           HA       VAL  43  -8.569  -2.756  -5.846
  335    HB   VAL  43           HB       VAL  43  -8.044  -0.447  -6.272
  336   1HG1  VAL  43          1HG1      VAL  43  -7.035   0.417  -8.306
  337   2HG1  VAL  43          2HG1      VAL  43  -5.901  -0.497  -7.323
  338   3HG1  VAL  43          3HG1      VAL  43  -6.592  -1.229  -8.793
  339   1HG2  VAL  43          1HG2      VAL  43 -10.063  -1.417  -7.335
  340   2HG2  VAL  43          2HG2      VAL  43  -9.421   0.024  -8.153
  341   3HG2  VAL  43          3HG2      VAL  43  -9.148  -1.582  -8.848
  342    H    TRP  44           H        TRP  44  -5.826  -3.375  -8.141
  343    HA   TRP  44           HA       TRP  44  -7.511  -4.299 -10.161
  344   1HB   TRP  44          HB2       TRP  44  -5.163  -3.520 -10.428
  345   2HB   TRP  44          HB3       TRP  44  -4.604  -5.035  -9.714
  346    HD1  TRP  44           HD1      TRP  44  -7.316  -4.678 -12.468
  347    HE1  TRP  44           HE1      TRP  44  -6.625  -5.970 -14.510
  348    HE3  TRP  44           HE3      TRP  44  -2.556  -5.870 -11.014
  349    HZ2  TRP  44           HZ2      TRP  44  -4.250  -7.455 -15.409
  350    HZ3  TRP  44           HZ3      TRP  44  -1.073  -7.173 -12.512
  351    HH2  TRP  44           HH2      TRP  44  -1.907  -7.978 -14.704
  352    H    ASP  45           H        ASP  45  -7.795  -6.390 -11.077
  353    HA   ASP  45           HA       ASP  45  -7.832  -8.710  -9.235
  354   1HB   ASP  45          HB2       ASP  45  -9.818  -7.274  -8.754
  355   2HB   ASP  45          HB3       ASP  45 -10.287  -7.370 -10.451
  356    H    ARG  46           H        ARG  46  -6.353  -8.183 -11.617
  357    HA   ARG  46           HA       ARG  46  -5.642  -9.131 -13.511
  358   1HB   ARG  46          HB2       ARG  46  -7.846 -11.209 -13.400
  359   2HB   ARG  46          HB3       ARG  46  -6.334 -11.260 -14.288
  360   1HG   ARG  46          HG2       ARG  46  -5.145 -11.192 -11.990
  361   2HG   ARG  46          HG3       ARG  46  -6.742 -11.470 -11.280
  362   1HD   ARG  46          HD2       ARG  46  -5.781 -13.615 -11.468
  363   2HD   ARG  46          HD3       ARG  46  -6.920 -13.511 -12.824
  364    HE   ARG  46           HE       ARG  46  -4.222 -12.631 -13.499
  365   1HH1  ARG  46          1HH2      ARG  46  -6.388 -15.451 -13.425
  366   2HH1  ARG  46          2HH2      ARG  46  -5.340 -16.455 -14.357
  367   1HH2  ARG  46          1HH1      ARG  46  -2.736 -14.038 -14.432
  368   2HH2  ARG  46          2HH1      ARG  46  -3.224 -15.588 -15.056
  369    H    LYS  47           H        LYS  47  -9.028  -8.310 -13.329
  370    HA   LYS  47           HA       LYS  47  -9.758  -8.536 -16.022
  371   1HB   LYS  47          HB2       LYS  47 -10.743  -6.351 -14.145
  372   2HB   LYS  47          HB3       LYS  47 -11.580  -7.039 -15.529
  373   1HG   LYS  47          HG2       LYS  47 -11.050  -8.332 -12.835
  374   2HG   LYS  47          HG3       LYS  47 -12.602  -7.896 -13.532
  375   1HD   LYS  47          HD2       LYS  47 -12.356  -9.624 -15.271
  376   2HD   LYS  47          HD3       LYS  47 -10.775 -10.087 -14.643
  377   1HE   LYS  47          HE2       LYS  47 -13.411 -10.329 -13.133
  378   2HE   LYS  47          HE3       LYS  47 -12.546 -11.633 -13.950
  379   1HZ   LYS  47          HZ1       LYS  47 -11.749 -10.214 -11.490
  380   2HZ   LYS  47          HZ2       LYS  47 -11.904 -11.816 -11.749
  381   3HZ   LYS  47          HZ3       LYS  47 -10.628 -10.987 -12.375
  Start of MODEL   20
    1   1H    ALA   1          H1        ALA   1  -4.983  -6.824   2.846
    2   2H    ALA   1          H2        ALA   1  -6.380  -6.667   3.692
    3   3H    ALA   1          H3        ALA   1  -6.381  -7.408   2.232
    4    HA   ALA   1           HA       ALA   1  -7.321  -5.238   2.047
    5   1HB   ALA   1          HB1       ALA   1  -4.613  -4.247   3.044
    6   2HB   ALA   1          HB2       ALA   1  -5.916  -3.239   2.377
    7   3HB   ALA   1          HB3       ALA   1  -6.171  -4.128   3.886
    8    H    ILE   2           H        ILE   2  -3.798  -5.008   1.215
    9    HA   ILE   2           HA       ILE   2  -4.272  -4.726  -1.577
   10    HB   ILE   2           HB       ILE   2  -1.834  -5.421  -1.773
   11   1HG1  ILE   2          2HG1      ILE   2  -1.826  -5.277   1.274
   12   2HG1  ILE   2          3HG1      ILE   2  -1.821  -6.796   0.374
   13   1HG2  ILE   2          1HG2      ILE   2  -2.535  -3.106   0.081
   14   2HG2  ILE   2          2HG2      ILE   2  -1.040  -3.269  -0.866
   15   3HG2  ILE   2          3HG2      ILE   2  -2.580  -3.103  -1.695
   16   1HD1  ILE   2          1HD1      ILE   2   0.349  -4.664   0.212
   17   2HD1  ILE   2          2HD1      ILE   2   0.432  -6.199   1.086
   18   3HD1  ILE   2          3HD1      ILE   2   0.316  -6.206  -0.680
   19    H    LYS   3           H        LYS   3  -3.743  -6.146  -3.266
   20    HA   LYS   3           HA       LYS   3  -4.039  -9.051  -2.772
   21   1HB   LYS   3          HB2       LYS   3  -6.055  -7.679  -3.867
   22   2HB   LYS   3          HB3       LYS   3  -5.003  -7.583  -5.267
   23   1HG   LYS   3          HG2       LYS   3  -6.501  -9.388  -5.626
   24   2HG   LYS   3          HG3       LYS   3  -4.938 -10.133  -5.285
   25   1HD   LYS   3          HD2       LYS   3  -5.655 -10.538  -2.932
   26   2HD   LYS   3          HD3       LYS   3  -7.207  -9.766  -3.255
   27   1HE   LYS   3          HE2       LYS   3  -6.191 -12.233  -4.746
   28   2HE   LYS   3          HE3       LYS   3  -7.133 -12.317  -3.256
   29   1HZ   LYS   3          HZ1       LYS   3  -8.573 -12.549  -5.119
   30   2HZ   LYS   3          HZ2       LYS   3  -8.927 -11.134  -4.402
   31   3HZ   LYS   3          HZ3       LYS   3  -8.096 -11.162  -5.822
   32    H    LEU   4           H        LEU   4  -2.901 -10.264  -4.534
   33    HA   LEU   4           HA       LEU   4  -0.633  -8.756  -5.763
   34   1HB   LEU   4          HB2       LEU   4  -0.660 -11.625  -4.726
   35   2HB   LEU   4          HB3       LEU   4   0.662 -10.857  -5.601
   36    HG   LEU   4           HG       LEU   4  -0.351 -10.059  -2.834
   37   1HD1  LEU   4          1HD1      LEU   4   1.801 -10.932  -2.042
   38   2HD1  LEU   4          2HD1      LEU   4   0.878 -12.194  -2.871
   39   3HD1  LEU   4          3HD1      LEU   4   2.240 -11.407  -3.698
   40   1HD2  LEU   4          1HD2      LEU   4   1.683  -8.604  -2.760
   41   2HD2  LEU   4          2HD2      LEU   4   1.954  -8.942  -4.486
   42   3HD2  LEU   4          3HD2      LEU   4   0.499  -8.070  -3.951
   43    H    VAL   5           H        VAL   5  -0.443  -9.109  -7.959
   44    HA   VAL   5           HA       VAL   5  -2.570 -10.794  -9.193
   45    HB   VAL   5           HB       VAL   5  -2.034  -7.956 -10.106
   46   1HG1  VAL   5          1HG1      VAL   5  -4.476  -9.790 -10.139
   47   2HG1  VAL   5          2HG1      VAL   5  -4.418  -8.157 -10.822
   48   3HG1  VAL   5          3HG1      VAL   5  -3.413  -9.422 -11.526
   49   1HG2  VAL   5          1HG2      VAL   5  -4.006  -8.642  -7.881
   50   2HG2  VAL   5          2HG2      VAL   5  -2.584  -7.575  -7.744
   51   3HG2  VAL   5          3HG2      VAL   5  -3.928  -7.107  -8.771
   52    H    GLN   6           H        GLN   6  -2.070 -11.572 -11.263
   53    HA   GLN   6           HA       GLN   6   0.526 -10.928 -12.501
   54   1HB   GLN   6          HB2       GLN   6  -0.265 -13.743 -11.604
   55   2HB   GLN   6          HB3       GLN   6   1.143 -13.308 -12.578
   56   1HG   GLN   6          HG2       GLN   6   1.984 -11.951 -10.648
   57   2HG   GLN   6          HG3       GLN   6   0.650 -12.552  -9.666
   58   1HE2  GLN   6          2HE2      GLN   6   3.854 -13.010 -10.029
   59   2HE2  GLN   6          1HE2      GLN   6   3.966 -14.716  -9.690
   60    H    SER   7           H        SER   7  -0.355 -10.329 -14.516
   61    HA   SER   7           HA       SER   7  -1.771 -12.373 -16.032
   62   1HB   SER   7          HB2       SER   7  -3.121  -9.671 -15.640
   63   2HB   SER   7          HB3       SER   7  -3.704 -11.014 -16.619
   64    HG   SER   7           HG       SER   7  -4.771 -10.899 -14.645
   65    HA   PRO   8           HA       PRO   8   0.687 -10.302 -19.054
   66   1HB   PRO   8          HB2       PRO   8  -0.514 -10.948 -21.446
   67   2HB   PRO   8          HB3       PRO   8   0.415 -12.102 -20.441
   68   1HG   PRO   8          HG2       PRO   8  -2.591 -11.706 -20.529
   69   2HG   PRO   8          HG3       PRO   8  -1.672 -13.245 -20.592
   70   1HD   PRO   8          HD2       PRO   8  -2.761 -12.339 -18.277
   71   2HD   PRO   8          HD3       PRO   8  -1.164 -13.142 -18.286
   72    H    ASN   9           H        ASN   9  -2.787  -9.512 -19.032
   73    HA   ASN   9           HA       ASN   9  -2.614  -7.384 -20.922
   74   1HB   ASN   9          HB2       ASN   9  -4.720  -8.570 -20.229
   75   2HB   ASN   9          HB3       ASN   9  -4.655  -7.715 -18.684
   76   1HD2  ASN   9          2HD2      ASN   9  -5.058  -7.309 -22.226
   77   2HD2  ASN   9          1HD2      ASN   9  -5.757  -5.715 -22.133
   78    H    GLY  10           H        GLY  10  -2.051  -7.450 -17.411
   79   1HA   GLY  10          HA2       GLY  10  -1.203  -5.895 -15.968
   80   2HA   GLY  10          HA3       GLY  10  -0.527  -5.092 -17.392
   81    H    ASN  11           H        ASN  11  -4.008  -5.471 -16.855
   82    HA   ASN  11           HA       ASN  11  -4.737  -2.922 -17.606
   83   1HB   ASN  11          HB2       ASN  11  -6.327  -4.751 -17.480
   84   2HB   ASN  11          HB3       ASN  11  -6.101  -4.872 -15.742
   85   1HD2  ASN  11          2HD2      ASN  11  -8.440  -4.714 -15.646
   86   2HD2  ASN  11          1HD2      ASN  11  -9.199  -3.121 -15.685
   87    H    PHE  12           H        PHE  12  -3.954  -1.060 -16.763
   88    HA   PHE  12           HA       PHE  12  -3.510  -0.656 -13.921
   89   1HB   PHE  12          HB2       PHE  12  -2.067   0.446 -15.519
   90   2HB   PHE  12          HB3       PHE  12  -3.434   1.201 -16.322
   91    HD1  PHE  12           HD1      PHE  12  -4.131   3.371 -15.676
   92    HD2  PHE  12           HD2      PHE  12  -1.673   1.055 -12.987
   93    HE1  PHE  12           HE1      PHE  12  -3.888   5.342 -14.192
   94    HE2  PHE  12           HE2      PHE  12  -1.449   3.028 -11.501
   95    HZ   PHE  12           HZ       PHE  12  -2.555   5.175 -12.098
   96    H    ALA  13           H        ALA  13  -5.358  -0.752 -12.719
   97    HA   ALA  13           HA       ALA  13  -7.906   0.243 -13.713
   98   1HB   ALA  13          HB1       ALA  13  -8.766  -0.624 -11.572
   99   2HB   ALA  13          HB2       ALA  13  -7.728  -1.820 -12.373
  100   3HB   ALA  13          HB3       ALA  13  -7.105  -0.878 -10.997
  101    H    ALA  14           H        ALA  14  -5.338   1.818 -12.177
  102    HA   ALA  14           HA       ALA  14  -4.938   3.546 -10.868
  103   1HB   ALA  14          HB1       ALA  14  -7.534   4.697 -11.944
  104   2HB   ALA  14          HB2       ALA  14  -6.218   5.589 -11.157
  105   3HB   ALA  14          HB3       ALA  14  -5.939   4.794 -12.717
  106    H    SER  15           H        SER  15  -8.534   3.356 -10.353
  107    HA   SER  15           HA       SER  15  -8.261   2.591  -7.602
  108   1HB   SER  15          HB2       SER  15  -9.275   4.789  -6.733
  109   2HB   SER  15          HB3       SER  15  -7.559   4.806  -7.143
  110    HG   SER  15           HG       SER  15  -8.654   6.634  -7.970
  111    H    PHE  16           H        PHE  16 -10.423   2.611  -6.487
  112    HA   PHE  16           HA       PHE  16 -12.831   2.842  -8.079
  113   1HB   PHE  16          HB2       PHE  16 -11.772   0.630  -8.810
  114   2HB   PHE  16          HB3       PHE  16 -11.929   0.087  -7.144
  115    HD1  PHE  16           HD1      PHE  16 -14.190   1.784  -9.674
  116    HD2  PHE  16           HD2      PHE  16 -13.622  -1.509  -6.936
  117    HE1  PHE  16           HE1      PHE  16 -16.431   0.903 -10.262
  118    HE2  PHE  16           HE2      PHE  16 -15.856  -2.394  -7.550
  119    HZ   PHE  16           HZ       PHE  16 -17.268  -1.189  -9.206
  120    H    VAL  17           H        VAL  17 -14.690   1.739  -6.587
  121    HA   VAL  17           HA       VAL  17 -14.065   1.959  -3.718
  122    HB   VAL  17           HB       VAL  17 -16.371   3.427  -5.066
  123   1HG1  VAL  17          1HG1      VAL  17 -16.910   4.267  -2.816
  124   2HG1  VAL  17          2HG1      VAL  17 -17.009   2.506  -2.845
  125   3HG1  VAL  17          3HG1      VAL  17 -15.598   3.301  -2.114
  126   1HG2  VAL  17          1HG2      VAL  17 -14.294   4.706  -5.348
  127   2HG2  VAL  17          2HG2      VAL  17 -15.310   5.487  -4.138
  128   3HG2  VAL  17          3HG2      VAL  17 -13.912   4.519  -3.622
  129    H    LEU  18           H        LEU  18 -15.021   0.267  -2.657
  130    HA   LEU  18           HA       LEU  18 -17.244  -1.267  -3.772
  131   1HB   LEU  18          HB2       LEU  18 -15.362  -2.168  -5.083
  132   2HB   LEU  18          HB3       LEU  18 -14.391  -2.347  -3.637
  133    HG   LEU  18           HG       LEU  18 -15.982  -4.093  -2.793
  134   1HD1  LEU  18          1HD1      LEU  18 -17.186  -3.859  -5.593
  135   2HD1  LEU  18          2HD1      LEU  18 -17.550  -5.128  -4.404
  136   3HD1  LEU  18          3HD1      LEU  18 -18.017  -3.458  -4.077
  137   1HD2  LEU  18          1HD2      LEU  18 -13.903  -4.688  -3.951
  138   2HD2  LEU  18          2HD2      LEU  18 -15.189  -5.844  -4.322
  139   3HD2  LEU  18          3HD2      LEU  18 -14.732  -4.613  -5.521
  140    H    ASP  19           H        ASP  19 -18.196  -2.460  -2.099
  141    HA   ASP  19           HA       ASP  19 -18.881  -2.761   0.014
  142   1HB   ASP  19          HB2       ASP  19 -17.392  -4.667  -0.380
  143   2HB   ASP  19          HB3       ASP  19 -16.047  -3.782   0.344
  144    H    GLY  20           H        GLY  20 -18.510  -0.158  -0.268
  145   1HA   GLY  20          HA2       GLY  20 -18.404   1.785   0.904
  146   2HA   GLY  20          HA3       GLY  20 -18.421   0.791   2.369
  147    H    THR  21           H        THR  21 -15.763   0.446   0.067
  148    HA   THR  21           HA       THR  21 -13.903   1.952   1.836
  149    HB   THR  21           HB       THR  21 -13.537  -0.862   0.698
  150    HG1  THR  21           HG1      THR  21 -15.074  -0.942   2.298
  151   1HG2  THR  21          1HG2      THR  21 -11.660  -1.005   2.331
  152   2HG2  THR  21          2HG2      THR  21 -11.388   0.214   1.090
  153   3HG2  THR  21          3HG2      THR  21 -11.887   0.717   2.720
  154    H    LYS  22           H        LYS  22 -12.039   2.760   0.662
  155    HA   LYS  22           HA       LYS  22 -12.444   2.970  -2.274
  156   1HB   LYS  22          HB2       LYS  22 -12.097   5.039  -0.913
  157   2HB   LYS  22          HB3       LYS  22 -10.490   4.450  -0.457
  158   1HG   LYS  22          HG2       LYS  22  -9.762   4.510  -2.802
  159   2HG   LYS  22          HG3       LYS  22 -11.407   4.913  -3.334
  160   1HD   LYS  22          HD2       LYS  22 -11.271   7.060  -2.096
  161   2HD   LYS  22          HD3       LYS  22  -9.622   6.649  -1.569
  162   1HE   LYS  22          HE2       LYS  22  -8.895   6.533  -3.943
  163   2HE   LYS  22          HE3       LYS  22 -10.537   6.920  -4.473
  164   1HZ   LYS  22          HZ1       LYS  22  -9.129   8.878  -4.467
  165   2HZ   LYS  22          HZ2       LYS  22 -10.317   9.072  -3.372
  166   3HZ   LYS  22          HZ3       LYS  22  -8.798   8.718  -2.881
  167    H    TRP  23           H        TRP  23 -10.745   2.431  -3.705
  168    HA   TRP  23           HA       TRP  23  -8.714   0.481  -2.744
  169   1HB   TRP  23          HB2       TRP  23 -10.839   0.188  -4.922
  170   2HB   TRP  23          HB3       TRP  23  -9.561  -0.958  -4.656
  171    HD1  TRP  23           HD1      TRP  23 -12.750   0.270  -3.079
  172    HE1  TRP  23           HE1      TRP  23 -13.645  -1.407  -1.383
  173    HE3  TRP  23           HE3      TRP  23  -8.890  -3.086  -3.190
  174    HZ2  TRP  23           HZ2      TRP  23 -12.771  -3.905  -0.190
  175    HZ3  TRP  23           HZ3      TRP  23  -8.953  -5.112  -1.783
  176    HH2  TRP  23           HH2      TRP  23 -10.887  -5.540  -0.277
  177    H    ILE  24           H        ILE  24  -6.785   0.544  -4.118
  178    HA   ILE  24           HA       ILE  24  -6.612   2.587  -6.204
  179    HB   ILE  24           HB       ILE  24  -6.766   3.872  -4.117
  180   1HG1  ILE  24          2HG1      ILE  24  -3.967   4.163  -5.248
  181   2HG1  ILE  24          3HG1      ILE  24  -5.430   4.651  -6.111
  182   1HG2  ILE  24          1HG2      ILE  24  -4.152   2.559  -3.266
  183   2HG2  ILE  24          2HG2      ILE  24  -5.029   3.835  -2.401
  184   3HG2  ILE  24          3HG2      ILE  24  -5.743   2.235  -2.551
  185   1HD1  ILE  24          1HD1      ILE  24  -4.474   6.582  -5.028
  186   2HD1  ILE  24          2HD1      ILE  24  -6.003   6.186  -4.221
  187   3HD1  ILE  24          3HD1      ILE  24  -4.450   5.771  -3.454
  188    H    PHE  25           H        PHE  25  -4.509   2.749  -7.182
  189    HA   PHE  25           HA       PHE  25  -2.932   0.445  -7.531
  190   1HB   PHE  25          HB2       PHE  25  -3.017   2.259  -9.124
  191   2HB   PHE  25          HB3       PHE  25  -2.458   3.415  -7.929
  192    HD1  PHE  25           HD1      PHE  25  -1.342   0.388  -9.868
  193    HD2  PHE  25           HD2      PHE  25  -0.166   3.941  -7.722
  194    HE1  PHE  25           HE1      PHE  25   0.975   0.127 -10.701
  195    HE2  PHE  25           HE2      PHE  25   2.153   3.668  -8.551
  196    HZ   PHE  25           HZ       PHE  25   2.725   1.776 -10.060
  197    H    LYS  26           H        LYS  26  -0.767  -0.056  -6.929
  198    HA   LYS  26           HA       LYS  26   0.429   1.493  -4.744
  199   1HB   LYS  26          HB2       LYS  26  -0.844  -0.472  -3.745
  200   2HB   LYS  26          HB3       LYS  26   0.327  -1.533  -4.501
  201   1HG   LYS  26          HG2       LYS  26   0.993   0.651  -2.492
  202   2HG   LYS  26          HG3       LYS  26   0.732  -1.051  -2.108
  203   1HD   LYS  26          HD2       LYS  26   2.671  -1.636  -3.626
  204   2HD   LYS  26          HD3       LYS  26   3.009   0.106  -3.757
  205   1HE   LYS  26          HE2       LYS  26   3.167   0.227  -1.261
  206   2HE   LYS  26          HE3       LYS  26   2.944  -1.524  -1.185
  207   1HZ   LYS  26          HZ1       LYS  26   5.274  -0.940  -1.094
  208   2HZ   LYS  26          HZ2       LYS  26   5.003  -1.759  -2.475
  209   3HZ   LYS  26          HZ3       LYS  26   5.206  -0.136  -2.507
  210    H    SER  27           H        SER  27   1.127  -1.520  -6.789
  211    HA   SER  27           HA       SER  27   3.100   0.039  -8.255
  212   1HB   SER  27          HB2       SER  27   4.969  -1.590  -7.626
  213   2HB   SER  27          HB3       SER  27   4.540  -0.359  -6.440
  214    HG   SER  27           HG       SER  27   4.806  -2.491  -5.575
  215    H    LYS  28           H        LYS  28   4.131  -1.190  -9.996
  216    HA   LYS  28           HA       LYS  28   3.129  -3.885 -10.584
  217   1HB   LYS  28          HB2       LYS  28   2.769  -1.473 -12.409
  218   2HB   LYS  28          HB3       LYS  28   2.998  -3.089 -13.051
  219   1HG   LYS  28          HG2       LYS  28   0.983  -3.820 -11.629
  220   2HG   LYS  28          HG3       LYS  28   0.627  -2.093 -11.466
  221   1HD   LYS  28          HD2       LYS  28   0.943  -3.667 -14.068
  222   2HD   LYS  28          HD3       LYS  28  -0.591  -3.140 -13.383
  223   1HE   LYS  28          HE2       LYS  28  -0.134  -0.830 -13.807
  224   2HE   LYS  28          HE3       LYS  28   1.580  -1.132 -14.106
  225   1HZ   LYS  28          HZ1       LYS  28   1.027  -2.260 -16.134
  226   2HZ   LYS  28          HZ2       LYS  28  -0.587  -2.104 -15.886
  227   3HZ   LYS  28          HZ3       LYS  28   0.345  -0.784 -16.159
  228    H    TYR  29           H        TYR  29   4.561  -4.976 -12.080
  229    HA   TYR  29           HA       TYR  29   6.671  -3.497 -13.374
  230   1HB   TYR  29          HB2       TYR  29   8.538  -4.786 -12.625
  231   2HB   TYR  29          HB3       TYR  29   7.792  -4.066 -11.221
  232    HD1  TYR  29           HD1      TYR  29   6.297  -5.551  -9.712
  233    HD2  TYR  29           HD2      TYR  29   8.908  -7.133 -12.764
  234    HE1  TYR  29           HE1      TYR  29   6.281  -7.754  -8.582
  235    HE2  TYR  29           HE2      TYR  29   8.906  -9.330 -11.639
  236    HH   TYR  29           HH       TYR  29   8.134 -10.577  -9.824
  237    H    TYR  30           H        TYR  30   7.649  -4.895 -15.098
  238    HA   TYR  30           HA       TYR  30   5.753  -7.008 -15.986
  239   1HB   TYR  30          HB2       TYR  30   6.397  -5.165 -17.547
  240   2HB   TYR  30          HB3       TYR  30   8.068  -5.711 -17.463
  241    HD1  TYR  30           HD1      TYR  30   8.797  -7.682 -18.711
  242    HD2  TYR  30           HD2      TYR  30   4.619  -6.616 -18.532
  243    HE1  TYR  30           HE1      TYR  30   8.324  -9.225 -20.588
  244    HE2  TYR  30           HE2      TYR  30   4.133  -8.155 -20.406
  245    HH   TYR  30           HH       TYR  30   5.034  -9.630 -21.979
  246    H    ASP  31           H        ASP  31   6.311  -9.108 -15.629
  247    HA   ASP  31           HA       ASP  31   9.032  -9.681 -14.570
  248   1HB   ASP  31          HB2       ASP  31   7.241 -10.395 -13.100
  249   2HB   ASP  31          HB3       ASP  31   6.491 -11.315 -14.411
  250    H    SER  32           H        SER  32  10.074  -9.586 -16.575
  251    HA   SER  32           HA       SER  32   9.447 -10.944 -18.899
  252   1HB   SER  32          HB2       SER  32  12.238 -10.513 -17.781
  253   2HB   SER  32          HB3       SER  32  11.750 -10.575 -19.485
  254    HG   SER  32           HG       SER  32  12.032  -8.425 -18.725
  255    H    SER  33           H        SER  33  10.362 -12.453 -15.861
  256    HA   SER  33           HA       SER  33  11.613 -14.803 -16.896
  257   1HB   SER  33          HB2       SER  33   9.886 -14.819 -14.423
  258   2HB   SER  33          HB3       SER  33  11.404 -15.670 -14.738
  259    HG   SER  33           HG       SER  33  10.862 -13.011 -14.040
  260    H    LYS  34           H        LYS  34   8.248 -13.759 -16.799
  261    HA   LYS  34           HA       LYS  34   7.435 -16.328 -18.097
  262   1HB   LYS  34          HB2       LYS  34   5.943 -14.719 -15.994
  263   2HB   LYS  34          HB3       LYS  34   5.193 -15.993 -16.945
  264   1HG   LYS  34          HG2       LYS  34   7.521 -16.387 -15.017
  265   2HG   LYS  34          HG3       LYS  34   5.822 -16.734 -14.683
  266   1HD   LYS  34          HD2       LYS  34   5.801 -18.373 -16.577
  267   2HD   LYS  34          HD3       LYS  34   7.536 -18.135 -16.793
  268   1HE   LYS  34          HE2       LYS  34   6.195 -19.137 -14.242
  269   2HE   LYS  34          HE3       LYS  34   6.935 -20.165 -15.470
  270   1HZ   LYS  34          HZ1       LYS  34   8.380 -18.178 -13.817
  271   2HZ   LYS  34          HZ2       LYS  34   8.462 -19.796 -13.677
  272   3HZ   LYS  34          HZ3       LYS  34   9.063 -19.077 -15.007
  273    H    GLY  35           H        GLY  35   7.501 -12.859 -18.234
  274   1HA   GLY  35          HA2       GLY  35   7.023 -11.557 -20.053
  275   2HA   GLY  35          HA3       GLY  35   6.386 -12.964 -20.921
  276    H    TYR  36           H        TYR  36   5.482 -11.411 -17.768
  277    HA   TYR  36           HA       TYR  36   2.976 -10.482 -18.892
  278   1HB   TYR  36          HB2       TYR  36   1.537 -11.523 -17.246
  279   2HB   TYR  36          HB3       TYR  36   2.257 -12.684 -18.327
  280    HD1  TYR  36           HD1      TYR  36   1.057 -14.112 -16.591
  281    HD2  TYR  36           HD2      TYR  36   4.657 -11.906 -15.679
  282    HE1  TYR  36           HE1      TYR  36   1.484 -15.593 -14.658
  283    HE2  TYR  36           HE2      TYR  36   5.062 -13.346 -13.746
  284    HH   TYR  36           HH       TYR  36   4.336 -15.183 -12.509
  285    H    TRP  37           H        TRP  37   1.706  -9.221 -17.091
  286    HA   TRP  37           HA       TRP  37   3.689  -7.565 -15.652
  287   1HB   TRP  37          HB2       TRP  37   0.724  -7.300 -16.220
  288   2HB   TRP  37          HB3       TRP  37   1.544  -6.318 -15.022
  289    HD1  TRP  37           HD1      TRP  37   1.267  -6.737 -18.797
  290    HE1  TRP  37           HE1      TRP  37   2.295  -4.711 -19.956
  291    HE3  TRP  37           HE3      TRP  37   3.434  -4.543 -14.736
  292    HZ2  TRP  37           HZ2      TRP  37   3.862  -2.370 -19.195
  293    HZ3  TRP  37           HZ3      TRP  37   4.683  -2.401 -14.965
  294    HH2  TRP  37           HH2      TRP  37   4.898  -1.312 -17.189
  295    H    VAL  38           H        VAL  38   3.628  -7.329 -13.444
  296    HA   VAL  38           HA       VAL  38   1.946  -9.122 -11.820
  297    HB   VAL  38           HB       VAL  38   4.966  -8.713 -11.577
  298   1HG1  VAL  38          1HG1      VAL  38   3.030 -10.212  -9.757
  299   2HG1  VAL  38          2HG1      VAL  38   4.799 -10.403  -9.710
  300   3HG1  VAL  38          3HG1      VAL  38   4.072  -8.845  -9.339
  301   1HG2  VAL  38          1HG2      VAL  38   3.346 -11.188 -12.311
  302   2HG2  VAL  38          2HG2      VAL  38   4.513 -10.329 -13.324
  303   3HG2  VAL  38          3HG2      VAL  38   5.078 -11.199 -11.901
  304    H    GLY  39           H        GLY  39   1.510  -8.081  -9.692
  305   1HA   GLY  39          HA2       GLY  39   2.820  -5.572  -9.090
  306   2HA   GLY  39          HA3       GLY  39   1.163  -5.334  -9.660
  307    H    ILE  40           H        ILE  40   1.847  -4.467  -7.285
  308    HA   ILE  40           HA       ILE  40   0.432  -6.214  -5.337
  309    HB   ILE  40           HB       ILE  40   2.236  -3.820  -4.737
  310   1HG1  ILE  40          2HG1      ILE  40   2.924  -6.769  -4.391
  311   2HG1  ILE  40          3HG1      ILE  40   3.659  -5.663  -5.550
  312   1HG2  ILE  40          1HG2      ILE  40   0.366  -4.246  -3.141
  313   2HG2  ILE  40          2HG2      ILE  40   0.991  -5.888  -2.881
  314   3HG2  ILE  40          3HG2      ILE  40   1.937  -4.464  -2.389
  315   1HD1  ILE  40          1HD1      ILE  40   5.178  -5.908  -3.731
  316   2HD1  ILE  40          2HD1      ILE  40   4.505  -4.269  -3.647
  317   3HD1  ILE  40          3HD1      ILE  40   3.935  -5.537  -2.530
  318    H    TYR  41           H        TYR  41  -1.646  -5.367  -5.045
  319    HA   TYR  41           HA       TYR  41  -2.153  -2.601  -6.033
  320   1HB   TYR  41          HB2       TYR  41  -2.486  -5.019  -7.553
  321   2HB   TYR  41          HB3       TYR  41  -4.087  -4.532  -7.064
  322    HD1  TYR  41           HD1      TYR  41  -1.793  -4.256  -9.649
  323    HD2  TYR  41           HD2      TYR  41  -4.365  -1.763  -7.261
  324    HE1  TYR  41           HE1      TYR  41  -2.006  -2.663 -11.541
  325    HE2  TYR  41           HE2      TYR  41  -4.558  -0.155  -9.142
  326    HH   TYR  41           HH       TYR  41  -3.814   0.419 -11.218
  327    H    GLU  42           H        GLU  42  -3.792  -1.597  -4.888
  328    HA   GLU  42           HA       GLU  42  -5.368  -3.303  -3.032
  329   1HB   GLU  42          HB2       GLU  42  -3.838  -1.293  -2.237
  330   2HB   GLU  42          HB3       GLU  42  -5.158  -0.292  -2.821
  331   1HG   GLU  42          HG2       GLU  42  -6.735  -1.574  -1.338
  332   2HG   GLU  42          HG3       GLU  42  -5.371  -2.528  -0.761
  333    H    VAL  43           H        VAL  43  -5.852  -3.178  -5.925
  334    HA   VAL  43           HA       VAL  43  -8.644  -2.732  -5.686
  335    HB   VAL  43           HB       VAL  43  -8.219  -0.437  -6.226
  336   1HG1  VAL  43          1HG1      VAL  43  -7.269   0.402  -8.281
  337   2HG1  VAL  43          2HG1      VAL  43  -6.090  -0.449  -7.298
  338   3HG1  VAL  43          3HG1      VAL  43  -6.776  -1.234  -8.745
  339   1HG2  VAL  43          1HG2      VAL  43 -10.214  -1.513  -7.226
  340   2HG2  VAL  43          2HG2      VAL  43  -9.620  -0.103  -8.129
  341   3HG2  VAL  43          3HG2      VAL  43  -9.304  -1.736  -8.736
  342    H    TRP  44           H        TRP  44  -6.014  -3.244  -8.160
  343    HA   TRP  44           HA       TRP  44  -7.787  -4.527  -9.922
  344   1HB   TRP  44          HB2       TRP  44  -5.592  -3.473 -10.517
  345   2HB   TRP  44          HB3       TRP  44  -4.776  -4.848  -9.771
  346    HD1  TRP  44           HD1      TRP  44  -7.779  -5.025 -12.219
  347    HE1  TRP  44           HE1      TRP  44  -7.125  -6.370 -14.265
  348    HE3  TRP  44           HE3      TRP  44  -2.794  -5.588 -11.209
  349    HZ2  TRP  44           HZ2      TRP  44  -4.709  -7.609 -15.332
  350    HZ3  TRP  44           HZ3      TRP  44  -1.323  -6.800 -12.789
  351    HH2  TRP  44           HH2      TRP  44  -2.260  -7.820 -14.839
  352    H    ASP  45           H        ASP  45  -8.059  -6.695 -10.499
  353    HA   ASP  45           HA       ASP  45  -7.114  -8.859  -8.746
  354   1HB   ASP  45          HB2       ASP  45  -9.067  -7.854  -7.570
  355   2HB   ASP  45          HB3       ASP  45 -10.066  -8.134  -8.999
  356    H    ARG  46           H        ARG  46  -6.368  -8.487 -11.290
  357    HA   ARG  46           HA       ARG  46  -6.180  -9.345 -13.338
  358   1HB   ARG  46          HB2       ARG  46  -7.926 -11.691 -12.524
  359   2HB   ARG  46          HB3       ARG  46  -6.709 -11.630 -13.790
  360   1HG   ARG  46          HG2       ARG  46  -4.962 -11.259 -11.959
  361   2HG   ARG  46          HG3       ARG  46  -6.250 -11.586 -10.786
  362   1HD   ARG  46          HD2       ARG  46  -5.238 -13.666 -11.022
  363   2HD   ARG  46          HD3       ARG  46  -6.631 -13.788 -12.107
  364    HE   ARG  46           HE       ARG  46  -4.099 -12.835 -13.303
  365   1HH1  ARG  46          1HH2      ARG  46  -6.288 -15.615 -12.930
  366   2HH1  ARG  46          2HH2      ARG  46  -5.438 -16.591 -14.071
  367   1HH2  ARG  46          1HH1      ARG  46  -2.866 -14.170 -14.532
  368   2HH2  ARG  46          2HH1      ARG  46  -3.457 -15.709 -15.105
  369    H    LYS  47           H        LYS  47  -8.827  -7.838 -12.516
  370    HA   LYS  47           HA       LYS  47 -10.812  -8.481 -14.454
  371   1HB   LYS  47          HB2       LYS  47 -10.081  -5.803 -13.179
  372   2HB   LYS  47          HB3       LYS  47 -11.513  -6.103 -14.166
  373   1HG   LYS  47          HG2       LYS  47 -12.314  -7.794 -12.528
  374   2HG   LYS  47          HG3       LYS  47 -10.876  -7.534 -11.542
  375   1HD   LYS  47          HD2       LYS  47 -12.726  -6.325 -10.559
  376   2HD   LYS  47          HD3       LYS  47 -11.510  -5.197 -11.142
  377   1HE   LYS  47          HE2       LYS  47 -13.678  -4.304 -11.662
  378   2HE   LYS  47          HE3       LYS  47 -12.890  -4.750 -13.172
  379   1HZ   LYS  47          HZ1       LYS  47 -15.205  -5.445 -13.112
  380   2HZ   LYS  47          HZ2       LYS  47 -14.260  -6.766 -13.202
  381   3HZ   LYS  47          HZ3       LYS  47 -14.966  -6.354 -11.784
  Start of MODEL   21
    1   1H    ALA   1          H1        ALA   1  -6.525  -6.205   3.698
    2   2H    ALA   1          H2        ALA   1  -6.441  -7.091   2.324
    3   3H    ALA   1          H3        ALA   1  -5.087  -6.409   2.939
    4    HA   ALA   1           HA       ALA   1  -7.422  -4.967   1.895
    5   1HB   ALA   1          HB1       ALA   1  -6.335  -3.650   3.637
    6   2HB   ALA   1          HB2       ALA   1  -4.756  -3.822   2.841
    7   3HB   ALA   1          HB3       ALA   1  -6.065  -2.918   2.048
    8    H    ILE   2           H        ILE   2  -3.848  -4.957   1.164
    9    HA   ILE   2           HA       ILE   2  -4.281  -4.719  -1.638
   10    HB   ILE   2           HB       ILE   2  -1.890  -5.437  -1.836
   11   1HG1  ILE   2          2HG1      ILE   2  -1.848  -5.463   1.213
   12   2HG1  ILE   2          3HG1      ILE   2  -1.906  -6.928   0.230
   13   1HG2  ILE   2          1HG2      ILE   2  -1.004  -3.372  -0.868
   14   2HG2  ILE   2          2HG2      ILE   2  -2.576  -3.095  -1.605
   15   3HG2  ILE   2          3HG2      ILE   2  -2.441  -3.204   0.163
   16   1HD1  ILE   2          1HD1      ILE   2   0.230  -6.328  -0.841
   17   2HD1  ILE   2          2HD1      ILE   2   0.337  -4.871   0.182
   18   3HD1  ILE   2          3HD1      ILE   2   0.373  -6.481   0.919
   19    H    LYS   3           H        LYS   3  -3.720  -6.192  -3.276
   20    HA   LYS   3           HA       LYS   3  -4.009  -9.100  -2.736
   21   1HB   LYS   3          HB2       LYS   3  -5.130  -7.398  -5.025
   22   2HB   LYS   3          HB3       LYS   3  -4.967  -9.156  -5.112
   23   1HG   LYS   3          HG2       LYS   3  -6.479  -9.447  -3.204
   24   2HG   LYS   3          HG3       LYS   3  -6.642  -7.688  -3.025
   25   1HD   LYS   3          HD2       LYS   3  -7.682  -7.495  -5.217
   26   2HD   LYS   3          HD3       LYS   3  -7.406  -9.218  -5.554
   27   1HE   LYS   3          HE2       LYS   3  -8.888  -9.872  -3.729
   28   2HE   LYS   3          HE3       LYS   3  -9.103  -8.186  -3.237
   29   1HZ   LYS   3          HZ1       LYS   3 -10.944  -9.055  -4.591
   30   2HZ   LYS   3          HZ2       LYS   3 -10.246  -7.759  -5.290
   31   3HZ   LYS   3          HZ3       LYS   3  -9.951  -9.262  -5.879
   32    H    LEU   4           H        LEU   4  -2.785 -10.319  -4.355
   33    HA   LEU   4           HA       LEU   4  -0.562  -8.814  -5.664
   34   1HB   LEU   4          HB2       LEU   4  -0.555 -11.688  -4.635
   35   2HB   LEU   4          HB3       LEU   4   0.742 -10.900  -5.531
   36    HG   LEU   4           HG       LEU   4  -0.221 -10.154  -2.731
   37   1HD1  LEU   4          1HD1      LEU   4   1.063 -12.258  -2.844
   38   2HD1  LEU   4          2HD1      LEU   4   2.386 -11.414  -3.681
   39   3HD1  LEU   4          3HD1      LEU   4   1.966 -10.988  -2.005
   40   1HD2  LEU   4          1HD2      LEU   4   0.548  -8.121  -3.823
   41   2HD2  LEU   4          2HD2      LEU   4   1.785  -8.652  -2.686
   42   3HD2  LEU   4          3HD2      LEU   4   2.001  -8.948  -4.429
   43    H    VAL   5           H        VAL   5  -0.488  -9.147  -7.869
   44    HA   VAL   5           HA       VAL   5  -2.510 -10.977  -9.055
   45    HB   VAL   5           HB       VAL   5  -2.292  -8.044  -9.835
   46   1HG1  VAL   5          1HG1      VAL   5  -3.357  -9.524 -11.496
   47   2HG1  VAL   5          2HG1      VAL   5  -4.472 -10.148 -10.253
   48   3HG1  VAL   5          3HG1      VAL   5  -4.551  -8.454 -10.781
   49   1HG2  VAL   5          1HG2      VAL   5  -4.295  -9.175  -7.838
   50   2HG2  VAL   5          2HG2      VAL   5  -3.065  -7.924  -7.523
   51   3HG2  VAL   5          3HG2      VAL   5  -4.396  -7.581  -8.615
   52    H    GLN   6           H        GLN   6  -2.033 -11.495 -11.265
   53    HA   GLN   6           HA       GLN   6   0.158 -10.218 -12.606
   54   1HB   GLN   6          HB2       GLN   6   1.411 -12.338 -13.029
   55   2HB   GLN   6          HB3       GLN   6   1.568 -11.709 -11.406
   56   1HG   GLN   6          HG2       GLN   6  -0.316 -13.999 -12.095
   57   2HG   GLN   6          HG3       GLN   6   1.361 -14.222 -11.646
   58   1HE2  GLN   6          2HE2      GLN   6   2.078 -13.249  -9.470
   59   2HE2  GLN   6          1HE2      GLN   6   0.919 -13.346  -8.169
   60    H    SER   7           H        SER   7  -0.068 -10.397 -14.817
   61    HA   SER   7           HA       SER   7  -1.509 -12.447 -16.151
   62   1HB   SER   7          HB2       SER   7  -3.481 -11.241 -15.129
   63   2HB   SER   7          HB3       SER   7  -2.947  -9.759 -15.924
   64    HG   SER   7           HG       SER   7  -3.935 -12.137 -17.086
   65    HA   PRO   8           HA       PRO   8   0.845 -10.299 -19.434
   66   1HB   PRO   8          HB2       PRO   8  -1.436 -11.211 -21.184
   67   2HB   PRO   8          HB3       PRO   8   0.325 -11.310 -21.488
   68   1HG   PRO   8          HG2       PRO   8  -1.050 -13.510 -20.708
   69   2HG   PRO   8          HG3       PRO   8   0.553 -13.154 -19.984
   70   1HD   PRO   8          HD2       PRO   8  -2.192 -12.602 -18.835
   71   2HD   PRO   8          HD3       PRO   8  -0.750 -13.298 -18.034
   72    H    ASN   9           H        ASN   9  -2.607  -9.802 -18.804
   73    HA   ASN   9           HA       ASN   9  -3.092  -7.629 -20.549
   74   1HB   ASN   9          HB2       ASN   9  -4.393  -8.403 -17.896
   75   2HB   ASN   9          HB3       ASN   9  -4.968  -7.090 -18.915
   76   1HD2  ASN   9          2HD2      ASN   9  -4.892 -10.572 -18.533
   77   2HD2  ASN   9          1HD2      ASN   9  -5.871 -10.931 -19.939
   78    H    GLY  10           H        GLY  10  -1.749  -7.648 -17.234
   79   1HA   GLY  10          HA2       GLY  10  -1.081  -5.978 -15.813
   80   2HA   GLY  10          HA3       GLY  10  -0.420  -5.236 -17.277
   81    H    ASN  11           H        ASN  11  -3.888  -5.672 -16.516
   82    HA   ASN  11           HA       ASN  11  -4.565  -3.178 -17.631
   83   1HB   ASN  11          HB2       ASN  11  -6.165  -4.975 -17.593
   84   2HB   ASN  11          HB3       ASN  11  -6.098  -5.070 -15.834
   85   1HD2  ASN  11          2HD2      ASN  11  -8.383  -4.760 -15.628
   86   2HD2  ASN  11          1HD2      ASN  11  -9.099  -3.175 -15.896
   87    H    PHE  12           H        PHE  12  -3.854  -1.275 -16.826
   88    HA   PHE  12           HA       PHE  12  -3.479  -0.766 -14.017
   89   1HB   PHE  12          HB2       PHE  12  -2.094   0.327 -15.697
   90   2HB   PHE  12          HB3       PHE  12  -3.502   1.085 -16.427
   91    HD1  PHE  12           HD1      PHE  12  -4.218   3.231 -15.681
   92    HD2  PHE  12           HD2      PHE  12  -1.556   0.902 -13.205
   93    HE1  PHE  12           HE1      PHE  12  -3.934   5.166 -14.156
   94    HE2  PHE  12           HE2      PHE  12  -1.296   2.836 -11.675
   95    HZ   PHE  12           HZ       PHE  12  -2.486   4.969 -12.141
   96    H    ALA  13           H        ALA  13  -5.231  -0.723 -12.716
   97    HA   ALA  13           HA       ALA  13  -7.833   0.181 -13.714
   98   1HB   ALA  13          HB1       ALA  13  -6.983  -0.994 -11.039
   99   2HB   ALA  13          HB2       ALA  13  -8.655  -0.752 -11.590
  100   3HB   ALA  13          HB3       ALA  13  -7.604  -1.906 -12.433
  101    H    ALA  14           H        ALA  14  -5.277   1.752 -12.137
  102    HA   ALA  14           HA       ALA  14  -4.911   3.537 -10.894
  103   1HB   ALA  14          HB1       ALA  14  -7.543   4.591 -11.983
  104   2HB   ALA  14          HB2       ALA  14  -6.234   5.538 -11.250
  105   3HB   ALA  14          HB3       ALA  14  -5.963   4.689 -12.784
  106    H    SER  15           H        SER  15  -8.498   3.297 -10.357
  107    HA   SER  15           HA       SER  15  -8.214   2.599  -7.593
  108   1HB   SER  15          HB2       SER  15  -9.241   4.800  -6.758
  109   2HB   SER  15          HB3       SER  15  -7.528   4.834  -7.180
  110    HG   SER  15           HG       SER  15  -8.643   6.633  -8.029
  111    H    PHE  16           H        PHE  16 -10.374   2.634  -6.483
  112    HA   PHE  16           HA       PHE  16 -12.781   2.824  -8.085
  113   1HB   PHE  16          HB2       PHE  16 -11.745   0.596  -8.763
  114   2HB   PHE  16          HB3       PHE  16 -11.859   0.094  -7.083
  115    HD1  PHE  16           HD1      PHE  16 -14.144   1.660  -9.669
  116    HD2  PHE  16           HD2      PHE  16 -13.591  -1.432  -6.702
  117    HE1  PHE  16           HE1      PHE  16 -16.397   0.758 -10.180
  118    HE2  PHE  16           HE2      PHE  16 -15.833  -2.342  -7.245
  119    HZ   PHE  16           HZ       PHE  16 -17.243  -1.248  -8.975
  120    H    VAL  17           H        VAL  17 -14.649   1.802  -6.549
  121    HA   VAL  17           HA       VAL  17 -13.987   1.932  -3.716
  122    HB   VAL  17           HB       VAL  17 -14.442   4.259  -4.226
  123   1HG1  VAL  17          1HG1      VAL  17 -16.603   5.092  -4.975
  124   2HG1  VAL  17          2HG1      VAL  17 -15.896   4.050  -6.213
  125   3HG1  VAL  17          3HG1      VAL  17 -17.212   3.439  -5.184
  126   1HG2  VAL  17          1HG2      VAL  17 -15.105   3.426  -2.035
  127   2HG2  VAL  17          2HG2      VAL  17 -16.199   4.697  -2.581
  128   3HG2  VAL  17          3HG2      VAL  17 -16.719   3.001  -2.651
  129    H    LEU  18           H        LEU  18 -15.267   0.485  -2.585
  130    HA   LEU  18           HA       LEU  18 -17.591  -0.804  -3.847
  131   1HB   LEU  18          HB2       LEU  18 -15.710  -2.020  -4.865
  132   2HB   LEU  18          HB3       LEU  18 -14.942  -2.204  -3.298
  133    HG   LEU  18           HG       LEU  18 -16.839  -3.660  -2.541
  134   1HD1  LEU  18          1HD1      LEU  18 -18.618  -2.905  -4.087
  135   2HD1  LEU  18          2HD1      LEU  18 -17.680  -3.497  -5.474
  136   3HD1  LEU  18          3HD1      LEU  18 -18.324  -4.635  -4.272
  137   1HD2  LEU  18          1HD2      LEU  18 -15.366  -4.563  -5.050
  138   2HD2  LEU  18          2HD2      LEU  18 -14.735  -4.601  -3.390
  139   3HD2  LEU  18          3HD2      LEU  18 -16.113  -5.620  -3.830
  140    H    ASP  19           H        ASP  19 -18.963  -1.314  -2.246
  141    HA   ASP  19           HA       ASP  19 -19.909  -1.347  -0.220
  142   1HB   ASP  19          HB2       ASP  19 -19.171  -3.650  -0.599
  143   2HB   ASP  19          HB3       ASP  19 -17.681  -3.333   0.291
  144    H    GLY  20           H        GLY  20 -18.614   0.958  -0.308
  145   1HA   GLY  20          HA2       GLY  20 -18.112   2.694   1.073
  146   2HA   GLY  20          HA3       GLY  20 -18.383   1.622   2.454
  147    H    THR  21           H        THR  21 -15.935   0.583   0.176
  148    HA   THR  21           HA       THR  21 -13.737   1.659   1.882
  149    HB   THR  21           HB       THR  21 -13.944  -1.070   0.528
  150    HG1  THR  21           HG1      THR  21 -15.344  -0.920   2.279
  151   1HG2  THR  21          1HG2      THR  21 -11.616  -0.367   0.777
  152   2HG2  THR  21          2HG2      THR  21 -11.887   0.044   2.486
  153   3HG2  THR  21          3HG2      THR  21 -11.981  -1.646   1.936
  154    H    LYS  22           H        LYS  22 -12.069   2.602   0.697
  155    HA   LYS  22           HA       LYS  22 -12.472   2.877  -2.228
  156   1HB   LYS  22          HB2       LYS  22 -12.089   4.885  -0.761
  157   2HB   LYS  22          HB3       LYS  22 -10.465   4.273  -0.405
  158   1HG   LYS  22          HG2       LYS  22  -9.842   4.452  -2.774
  159   2HG   LYS  22          HG3       LYS  22 -11.511   4.872  -3.213
  160   1HD   LYS  22          HD2       LYS  22 -11.331   6.956  -1.884
  161   2HD   LYS  22          HD3       LYS  22  -9.660   6.530  -1.444
  162   1HE   LYS  22          HE2       LYS  22  -9.021   6.538  -3.841
  163   2HE   LYS  22          HE3       LYS  22 -10.686   6.924  -4.295
  164   1HZ   LYS  22          HZ1       LYS  22 -10.457   9.028  -3.109
  165   2HZ   LYS  22          HZ2       LYS  22  -8.918   8.676  -2.683
  166   3HZ   LYS  22          HZ3       LYS  22  -9.303   8.901  -4.250
  167    H    TRP  23           H        TRP  23 -10.720   2.431  -3.676
  168    HA   TRP  23           HA       TRP  23  -8.713   0.427  -2.785
  169   1HB   TRP  23          HB2       TRP  23 -10.789   0.234  -5.017
  170   2HB   TRP  23          HB3       TRP  23  -9.511  -0.919  -4.772
  171    HD1  TRP  23           HD1      TRP  23 -12.759   0.236  -3.225
  172    HE1  TRP  23           HE1      TRP  23 -13.673  -1.484  -1.596
  173    HE3  TRP  23           HE3      TRP  23  -8.882  -3.101  -3.363
  174    HZ2  TRP  23           HZ2      TRP  23 -12.844  -4.053  -0.512
  175    HZ3  TRP  23           HZ3      TRP  23  -8.974  -5.182  -2.033
  176    HH2  TRP  23           HH2      TRP  23 -10.951  -5.674  -0.607
  177    H    ILE  24           H        ILE  24  -6.772   0.558  -4.121
  178    HA   ILE  24           HA       ILE  24  -6.604   2.637  -6.168
  179    HB   ILE  24           HB       ILE  24  -6.756   3.885  -4.053
  180   1HG1  ILE  24          2HG1      ILE  24  -3.974   4.205  -5.218
  181   2HG1  ILE  24          3HG1      ILE  24  -5.452   4.696  -6.052
  182   1HG2  ILE  24          1HG2      ILE  24  -5.713   2.229  -2.525
  183   2HG2  ILE  24          2HG2      ILE  24  -4.129   2.567  -3.249
  184   3HG2  ILE  24          3HG2      ILE  24  -5.002   3.828  -2.354
  185   1HD1  ILE  24          1HD1      ILE  24  -4.456   5.783  -3.388
  186   2HD1  ILE  24          2HD1      ILE  24  -4.474   6.613  -4.950
  187   3HD1  ILE  24          3HD1      ILE  24  -6.007   6.211  -4.153
  188    H    PHE  25           H        PHE  25  -4.547   2.785  -7.188
  189    HA   PHE  25           HA       PHE  25  -2.963   0.478  -7.524
  190   1HB   PHE  25          HB2       PHE  25  -3.092   2.229  -9.177
  191   2HB   PHE  25          HB3       PHE  25  -2.566   3.445  -8.027
  192    HD1  PHE  25           HD1      PHE  25  -1.338   0.328  -9.752
  193    HD2  PHE  25           HD2      PHE  25  -0.309   4.106  -7.943
  194    HE1  PHE  25           HE1      PHE  25   0.977   0.092 -10.580
  195    HE2  PHE  25           HE2      PHE  25   2.015   3.858  -8.766
  196    HZ   PHE  25           HZ       PHE  25   2.663   1.865 -10.105
  197    H    LYS  26           H        LYS  26  -0.781   0.020  -6.948
  198    HA   LYS  26           HA       LYS  26   0.505   1.754  -4.989
  199   1HB   LYS  26          HB2       LYS  26  -0.684   0.062  -3.623
  200   2HB   LYS  26          HB3       LYS  26   0.254  -1.219  -4.360
  201   1HG   LYS  26          HG2       LYS  26   1.583   1.121  -2.943
  202   2HG   LYS  26          HG3       LYS  26   0.927  -0.251  -2.052
  203   1HD   LYS  26          HD2       LYS  26   2.425  -1.811  -3.254
  204   2HD   LYS  26          HD3       LYS  26   3.082  -0.469  -4.190
  205   1HE   LYS  26          HE2       LYS  26   4.645  -0.931  -2.458
  206   2HE   LYS  26          HE3       LYS  26   3.885   0.621  -2.111
  207   1HZ   LYS  26          HZ1       LYS  26   2.494  -0.506  -0.464
  208   2HZ   LYS  26          HZ2       LYS  26   3.187  -1.953  -0.805
  209   3HZ   LYS  26          HZ3       LYS  26   4.066  -0.758  -0.140
  210    H    SER  27           H        SER  27   1.058  -1.443  -6.782
  211    HA   SER  27           HA       SER  27   3.035  -0.028  -8.402
  212   1HB   SER  27          HB2       SER  27   4.233  -0.686  -6.237
  213   2HB   SER  27          HB3       SER  27   3.968  -2.377  -6.700
  214    HG   SER  27           HG       SER  27   6.014  -1.495  -7.361
  215    H    LYS  28           H        LYS  28   3.731  -1.268 -10.227
  216    HA   LYS  28           HA       LYS  28   3.129  -4.051 -10.394
  217   1HB   LYS  28          HB2       LYS  28   2.021  -4.128 -12.515
  218   2HB   LYS  28          HB3       LYS  28   1.017  -3.222 -11.393
  219   1HG   LYS  28          HG2       LYS  28   1.607  -1.113 -12.464
  220   2HG   LYS  28          HG3       LYS  28   2.856  -1.898 -13.438
  221   1HD   LYS  28          HD2       LYS  28   1.093  -3.283 -14.549
  222   2HD   LYS  28          HD3       LYS  28  -0.147  -2.355 -13.687
  223   1HE   LYS  28          HE2       LYS  28   0.379  -0.347 -14.826
  224   2HE   LYS  28          HE3       LYS  28   1.988  -0.912 -15.285
  225   1HZ   LYS  28          HZ1       LYS  28   0.393  -0.888 -17.140
  226   2HZ   LYS  28          HZ2       LYS  28   1.048  -2.358 -16.893
  227   3HZ   LYS  28          HZ3       LYS  28  -0.495  -2.069 -16.424
  228    H    TYR  29           H        TYR  29   4.368  -5.044 -12.195
  229    HA   TYR  29           HA       TYR  29   6.313  -3.401 -13.624
  230   1HB   TYR  29          HB2       TYR  29   8.255  -4.564 -12.771
  231   2HB   TYR  29          HB3       TYR  29   7.440  -3.769 -11.446
  232    HD1  TYR  29           HD1      TYR  29   8.621  -6.947 -12.779
  233    HD2  TYR  29           HD2      TYR  29   6.050  -5.157  -9.808
  234    HE1  TYR  29           HE1      TYR  29   8.648  -9.056 -11.486
  235    HE2  TYR  29           HE2      TYR  29   6.060  -7.265  -8.518
  236    HH   TYR  29           HH       TYR  29   6.904  -9.439  -8.369
  237    H    TYR  30           H        TYR  30   7.531  -4.850 -15.189
  238    HA   TYR  30           HA       TYR  30   5.789  -7.088 -16.085
  239   1HB   TYR  30          HB2       TYR  30   6.355  -5.210 -17.650
  240   2HB   TYR  30          HB3       TYR  30   8.046  -5.686 -17.552
  241    HD1  TYR  30           HD1      TYR  30   8.860  -7.607 -18.824
  242    HD2  TYR  30           HD2      TYR  30   4.636  -6.765 -18.589
  243    HE1  TYR  30           HE1      TYR  30   8.450  -9.144 -20.721
  244    HE2  TYR  30           HE2      TYR  30   4.211  -8.295 -20.486
  245    HH   TYR  30           HH       TYR  30   5.175  -9.670 -22.110
  246    H    ASP  31           H        ASP  31   6.467  -9.132 -15.683
  247    HA   ASP  31           HA       ASP  31   9.230  -9.562 -14.657
  248   1HB   ASP  31          HB2       ASP  31   7.521 -10.365 -13.145
  249   2HB   ASP  31          HB3       ASP  31   6.759 -11.294 -14.441
  250    H    SER  32           H        SER  32  10.266  -9.467 -16.647
  251    HA   SER  32           HA       SER  32   9.621 -10.808 -18.982
  252   1HB   SER  32          HB2       SER  32  12.418 -10.307 -17.904
  253   2HB   SER  32          HB3       SER  32  11.907 -10.375 -19.603
  254    HG   SER  32           HG       SER  32  12.137  -8.221 -18.831
  255    H    SER  33           H        SER  33  10.620 -12.327 -15.978
  256    HA   SER  33           HA       SER  33  11.923 -14.629 -17.058
  257   1HB   SER  33          HB2       SER  33  10.216 -14.715 -14.570
  258   2HB   SER  33          HB3       SER  33  11.741 -15.542 -14.912
  259    HG   SER  33           HG       SER  33  11.173 -12.893 -14.187
  260    H    LYS  34           H        LYS  34   8.527 -13.678 -16.873
  261    HA   LYS  34           HA       LYS  34   7.762 -16.244 -18.208
  262   1HB   LYS  34          HB2       LYS  34   6.316 -14.776 -15.973
  263   2HB   LYS  34          HB3       LYS  34   5.546 -15.998 -16.992
  264   1HG   LYS  34          HG2       LYS  34   7.257 -17.666 -16.294
  265   2HG   LYS  34          HG3       LYS  34   7.976 -16.461 -15.204
  266   1HD   LYS  34          HD2       LYS  34   5.874 -16.302 -13.947
  267   2HD   LYS  34          HD3       LYS  34   5.093 -17.450 -15.058
  268   1HE   LYS  34          HE2       LYS  34   6.768 -19.182 -14.409
  269   2HE   LYS  34          HE3       LYS  34   7.504 -18.040 -13.278
  270   1HZ   LYS  34          HZ1       LYS  34   5.965 -19.517 -12.158
  271   2HZ   LYS  34          HZ2       LYS  34   5.396 -17.993 -12.066
  272   3HZ   LYS  34          HZ3       LYS  34   4.726 -19.059 -13.110
  273    H    GLY  35           H        GLY  35   7.741 -12.781 -18.316
  274   1HA   GLY  35          HA2       GLY  35   7.211 -11.488 -20.123
  275   2HA   GLY  35          HA3       GLY  35   6.594 -12.909 -20.984
  276    H    TYR  36           H        TYR  36   5.691 -11.356 -17.835
  277    HA   TYR  36           HA       TYR  36   3.121 -10.531 -18.890
  278   1HB   TYR  36          HB2       TYR  36   1.744 -11.700 -17.367
  279   2HB   TYR  36          HB3       TYR  36   2.636 -12.859 -18.315
  280    HD1  TYR  36           HD1      TYR  36   1.152 -13.890 -16.251
  281    HD2  TYR  36           HD2      TYR  36   5.070 -12.101 -15.900
  282    HE1  TYR  36           HE1      TYR  36   1.562 -15.180 -14.183
  283    HE2  TYR  36           HE2      TYR  36   5.458 -13.344 -13.830
  284    HH   TYR  36           HH       TYR  36   4.596 -14.857 -12.279
  285    H    TRP  37           H        TRP  37   1.861  -9.290 -17.097
  286    HA   TRP  37           HA       TRP  37   3.819  -7.677 -15.582
  287   1HB   TRP  37          HB2       TRP  37   0.835  -7.406 -16.051
  288   2HB   TRP  37          HB3       TRP  37   1.747  -6.394 -14.948
  289    HD1  TRP  37           HD1      TRP  37   1.361  -7.055 -18.703
  290    HE1  TRP  37           HE1      TRP  37   2.291  -5.076 -20.016
  291    HE3  TRP  37           HE3      TRP  37   3.402  -4.430 -14.823
  292    HZ2  TRP  37           HZ2      TRP  37   3.769  -2.630 -19.448
  293    HZ3  TRP  37           HZ3      TRP  37   4.588  -2.285 -15.233
  294    HH2  TRP  37           HH2      TRP  37   4.771  -1.380 -17.539
  295    H    VAL  38           H        VAL  38   3.650  -7.440 -13.348
  296    HA   VAL  38           HA       VAL  38   2.010  -9.304 -11.760
  297    HB   VAL  38           HB       VAL  38   5.008  -8.852 -11.390
  298   1HG1  VAL  38          1HG1      VAL  38   4.811 -10.729  -9.733
  299   2HG1  VAL  38          2HG1      VAL  38   3.909  -9.292  -9.259
  300   3HG1  VAL  38          3HG1      VAL  38   3.047 -10.688  -9.938
  301   1HG2  VAL  38          1HG2      VAL  38   4.770 -10.291 -13.337
  302   2HG2  VAL  38          2HG2      VAL  38   5.326 -11.247 -11.968
  303   3HG2  VAL  38          3HG2      VAL  38   3.627 -11.336 -12.475
  304    H    GLY  39           H        GLY  39   1.556  -8.252  -9.618
  305   1HA   GLY  39          HA2       GLY  39   2.888  -5.732  -9.029
  306   2HA   GLY  39          HA3       GLY  39   1.229  -5.525  -9.600
  307    H    ILE  40           H        ILE  40   1.643  -4.502  -7.357
  308    HA   ILE  40           HA       ILE  40   0.536  -6.233  -5.218
  309    HB   ILE  40           HB       ILE  40   2.537  -3.943  -4.843
  310   1HG1  ILE  40          2HG1      ILE  40   3.099  -6.917  -4.506
  311   2HG1  ILE  40          3HG1      ILE  40   3.719  -5.900  -5.804
  312   1HG2  ILE  40          1HG2      ILE  40   1.420  -5.943  -2.829
  313   2HG2  ILE  40          2HG2      ILE  40   2.472  -4.558  -2.470
  314   3HG2  ILE  40          3HG2      ILE  40   0.829  -4.280  -3.030
  315   1HD1  ILE  40          1HD1      ILE  40   4.889  -4.479  -4.104
  316   2HD1  ILE  40          2HD1      ILE  40   4.413  -5.660  -2.857
  317   3HD1  ILE  40          3HD1      ILE  40   5.459  -6.157  -4.191
  318    H    TYR  41           H        TYR  41  -1.530  -5.406  -5.021
  319    HA   TYR  41           HA       TYR  41  -2.006  -2.622  -5.996
  320   1HB   TYR  41          HB2       TYR  41  -2.321  -5.098  -7.435
  321   2HB   TYR  41          HB3       TYR  41  -3.925  -4.580  -6.999
  322    HD1  TYR  41           HD1      TYR  41  -1.619  -4.455  -9.569
  323    HD2  TYR  41           HD2      TYR  41  -4.173  -1.814  -7.319
  324    HE1  TYR  41           HE1      TYR  41  -1.766  -2.935 -11.525
  325    HE2  TYR  41           HE2      TYR  41  -4.321  -0.288  -9.271
  326    HH   TYR  41           HH       TYR  41  -3.512   0.198 -11.361
  327    H    GLU  42           H        GLU  42  -3.742  -1.601  -4.944
  328    HA   GLU  42           HA       GLU  42  -5.323  -3.289  -3.072
  329   1HB   GLU  42          HB2       GLU  42  -3.784  -1.276  -2.277
  330   2HB   GLU  42          HB3       GLU  42  -5.120  -0.283  -2.840
  331   1HG   GLU  42          HG2       GLU  42  -6.673  -1.605  -1.365
  332   2HG   GLU  42          HG3       GLU  42  -5.288  -2.531  -0.794
  333    H    VAL  43           H        VAL  43  -5.781  -3.150  -5.966
  334    HA   VAL  43           HA       VAL  43  -8.580  -2.640  -5.772
  335    HB   VAL  43           HB       VAL  43  -8.040  -0.359  -6.291
  336   1HG1  VAL  43          1HG1      VAL  43  -7.017   0.421  -8.352
  337   2HG1  VAL  43          2HG1      VAL  43  -5.892  -0.485  -7.351
  338   3HG1  VAL  43          3HG1      VAL  43  -6.605  -1.245  -8.795
  339   1HG2  VAL  43          1HG2      VAL  43 -10.067  -1.358  -7.324
  340   2HG2  VAL  43          2HG2      VAL  43  -9.420   0.054  -8.184
  341   3HG2  VAL  43          3HG2      VAL  43  -9.151  -1.574  -8.828
  342    H    TRP  44           H        TRP  44  -5.876  -3.339  -8.102
  343    HA   TRP  44           HA       TRP  44  -7.623  -4.423  -9.990
  344   1HB   TRP  44          HB2       TRP  44  -5.289  -3.629 -10.412
  345   2HB   TRP  44          HB3       TRP  44  -4.688  -5.105  -9.650
  346    HD1  TRP  44           HD1      TRP  44  -7.603  -5.000 -12.197
  347    HE1  TRP  44           HE1      TRP  44  -7.033  -6.404 -14.202
  348    HE3  TRP  44           HE3      TRP  44  -2.675  -5.870 -11.120
  349    HZ2  TRP  44           HZ2      TRP  44  -4.659  -7.755 -15.278
  350    HZ3  TRP  44           HZ3      TRP  44  -1.255  -7.145 -12.698
  351    HH2  TRP  44           HH2      TRP  44  -2.224  -8.088 -14.770
  352    H    ASP  45           H        ASP  45  -7.864  -6.588 -10.758
  353    HA   ASP  45           HA       ASP  45  -7.835  -8.747  -8.730
  354   1HB   ASP  45          HB2       ASP  45  -9.818  -7.218  -8.379
  355   2HB   ASP  45          HB3       ASP  45 -10.349  -7.592 -10.017
  356    H    ARG  46           H        ARG  46  -6.475  -8.356 -11.259
  357    HA   ARG  46           HA       ARG  46  -5.862  -9.372 -13.137
  358   1HB   ARG  46          HB2       ARG  46  -5.964 -11.417 -11.902
  359   2HB   ARG  46          HB3       ARG  46  -7.685 -11.622 -12.225
  360   1HG   ARG  46          HG2       ARG  46  -7.324 -12.021 -14.556
  361   2HG   ARG  46          HG3       ARG  46  -5.618 -11.564 -14.449
  362   1HD   ARG  46          HD2       ARG  46  -6.858 -13.936 -12.985
  363   2HD   ARG  46          HD3       ARG  46  -6.086 -14.042 -14.565
  364    HE   ARG  46           HE       ARG  46  -3.982 -13.322 -13.611
  365   1HH1  ARG  46          1HH1      ARG  46  -6.352 -14.392 -11.162
  366   2HH1  ARG  46          2HH1      ARG  46  -5.144 -14.695  -9.970
  367   1HH2  ARG  46          1HH2      ARG  46  -2.481 -13.714 -12.128
  368   2HH2  ARG  46          2HH2      ARG  46  -2.819 -14.240 -10.510
  369    H    LYS  47           H        LYS  47  -9.273  -8.788 -12.762
  370    HA   LYS  47           HA       LYS  47 -10.184  -9.226 -15.371
  371   1HB   LYS  47          HB2       LYS  47 -11.055  -6.904 -13.610
  372   2HB   LYS  47          HB3       LYS  47 -11.980  -7.701 -14.876
  373   1HG   LYS  47          HG2       LYS  47 -11.245  -8.788 -12.139
  374   2HG   LYS  47          HG3       LYS  47 -12.847  -8.406 -12.747
  375   1HD   LYS  47          HD2       LYS  47 -12.730 -10.262 -14.360
  376   2HD   LYS  47          HD3       LYS  47 -11.095 -10.668 -13.837
  377   1HE   LYS  47          HE2       LYS  47 -13.582 -10.800 -12.082
  378   2HE   LYS  47          HE3       LYS  47 -12.794 -12.163 -12.881
  379   1HZ   LYS  47          HZ1       LYS  47 -11.747 -10.560 -10.631
  380   2HZ   LYS  47          HZ2       LYS  47 -11.969 -12.172 -10.725
  381   3HZ   LYS  47          HZ3       LYS  47 -10.742 -11.452 -11.548