*HEADER    TRANSCRIPTION                           26-JAN-15   2RV6              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAINS (ZF2-ZF3-ZF4) OF       
*TITLE    2 IMMUNE-RELATED ZINC-FINGER PROTEIN ZFAT                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN ZFAT;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 269-353;                                      
*COMPND   5 SYNONYM: ZINC FINGER GENE IN AITD SUSCEPTIBILITY REGION, ZINC FINGER 
*COMPND   6 PROTEIN 406;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ZFAT, KIAA1485, ZFAT1, ZNF406;                                 
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: P061010-07                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RV6    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=72,78,76,77, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=78,84,82,83, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,88,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG2 CG1 HB
 &rst iat=92,96,100,95, &end
#
#  chirality for residue 9 atoms:  CB CD1 HG12 HG13
 &rst iat=94,103,101,102, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=90,107,93,94, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=111,116,114,115, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=109,127,112,113, &end
#
#  chirality for residue 11 atoms:  CA CG2 OG1 HB
 &rst iat=131,135,139,134, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=129,141,132,133, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=155,160,158,159, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=157,163,161,162, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=153,166,156,157, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=170,175,173,174, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=168,187,171,172, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=201,206,204,205, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=199,211,202,203, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=215,220,218,219, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=217,223,221,222, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=223,229,227,228, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=220,226,224,225, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=213,233,216,217, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=237,241,245,240, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=235,249,238,239, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=253,258,256,257, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=251,269,254,255, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=273,278,276,277, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=275,281,279,280, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=281,287,285,286, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=278,284,282,283, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=271,291,274,275, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=295,300,298,299, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=293,311,296,297, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=315,320,318,319, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=317,323,321,322, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=323,329,327,328, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=320,326,324,325, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=313,333,316,317, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=337,342,340,341, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=335,350,338,339, &end
#
#  chirality for residue 24 atoms:  CA OG HB2 HB3
 &rst iat=354,359,357,358, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=352,361,355,356, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=365,370,368,369, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=367,372,376,371, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=363,380,366,367, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=384,389,387,388, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=386,392,390,391, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=382,397,385,386, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=399,407,402,403, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=411,416,414,415, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=409,424,412,413, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 29 atoms:  CB CD1 CD2 HG
 &rst iat=430,435,439,434, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=426,443,429,430, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=447,452,450,451, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=449,455,453,454, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat=452,458,456,457, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=445,467,448,449, &end
#
#  chirality for residue 31 atoms:  CA CG2 CG1 HB
 &rst iat=471,475,479,474, &end
#
#  chirality for residue 31 atoms:  CB CD1 HG12 HG13
 &rst iat=473,482,480,481, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=469,486,472,473, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=490,495,493,494, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=488,503,491,492, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=507,511,515,510, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=505,517,508,509, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=519,531,522,523, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=535,540,538,539, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=537,543,541,542, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=533,546,536,537, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=550,555,553,554, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=552,558,556,557, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=558,564,562,563, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=555,561,559,560, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=548,568,551,552, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=580,574,578,579, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=577,571,575,576, &end
#
#  chirality for residue 37 atoms:  CG N HD2 HD3
 &rst iat=574,570,572,573, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=570,582,581,577, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=586,591,589,590, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=584,603,587,588, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=607,612,610,611, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=609,615,613,614, &end
#
#  chirality for residue 39 atoms:  CD NZ HE2 HE3
 &rst iat=615,621,619,620, &end
#
#  chirality for residue 39 atoms:  CG CE HD2 HD3
 &rst iat=612,618,616,617, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=605,625,608,609, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=647,641,645,646, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=644,638,642,643, &end
#
#  chirality for residue 41 atoms:  CG N HD2 HD3
 &rst iat=641,637,639,640, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=637,649,648,644, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=653,658,656,657, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=655,661,659,660, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=651,666,654,655, &end
#
#  chirality for residue 44 atoms:  CA OG HB2 HB3
 &rst iat=680,685,683,684, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=678,687,681,682, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=691,696,694,695, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=689,708,692,693, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=710,718,713,714, &end
#
#  chirality for residue 47 atoms:  CA OG HB2 HB3
 &rst iat=722,727,725,726, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=720,729,723,724, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=731,739,734,735, &end
#
#  chirality for residue 49 atoms:  CA CG2 CG1 HB
 &rst iat=743,747,751,746, &end
#
#  chirality for residue 49 atoms:  CB CD1 HG12 HG13
 &rst iat=745,754,752,753, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=741,758,744,745, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=762,767,765,766, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=764,770,768,769, &end
#
#  chirality for residue 50 atoms:  CD NZ HE2 HE3
 &rst iat=770,776,774,775, &end
#
#  chirality for residue 50 atoms:  CG CE HD2 HD3
 &rst iat=767,773,771,772, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=760,780,763,764, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=782,790,785,786, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=794,799,797,798, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=792,804,795,796, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=808,813,811,812, &end
#
#  chirality for residue 53 atoms:  CB CD1 CD2 HG
 &rst iat=810,815,819,814, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=806,823,809,810, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=827,832,830,831, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=825,837,828,829, &end
#
#  chirality for residue 55 atoms:  CA CG1 CG2 HB
 &rst iat=841,845,849,844, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=839,853,842,843, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=857,862,860,861, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=855,870,858,859, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 57 atoms:  CB CD1 CD2 HG
 &rst iat=876,881,885,880, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=872,889,875,876, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=893,898,896,897, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=895,901,899,900, &end
#
#  chirality for residue 58 atoms:  CG NE HD2 HD3
 &rst iat=898,904,902,903, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=891,913,894,895, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=917,922,920,921, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=919,925,923,924, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=925,931,929,930, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=922,928,926,927, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=915,935,918,919, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=939,944,942,943, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=937,952,940,941, &end
#
#  chirality for residue 61 atoms:  CA CG2 OG1 HB
 &rst iat=956,960,964,959, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=954,966,957,958, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=968,973,971,972, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=977,982,980,981, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=979,985,983,984, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=975,988,978,979, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=992,997,995,996, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=994,1000,998,999, &end
#
#  chirality for residue 64 atoms:  CD NZ HE2 HE3
 &rst iat=1000,1006,1004,1005, &end
#
#  chirality for residue 64 atoms:  CG CE HD2 HD3
 &rst iat=997,1003,1001,1002, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=990,1010,993,994, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1014,1019,1017,1018, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1012,1030,1015,1016, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1032,1040,1035,1036, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1054,1059,1057,1058, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1052,1062,1055,1056, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1066,1071,1069,1070, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1064,1083,1067,1068, &end
#
#  chirality for residue 71 atoms:  CA OG HB2 HB3
 &rst iat=1097,1102,1100,1101, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1095,1104,1098,1099, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1108,1113,1111,1112, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1106,1124,1109,1110, &end
#
#  chirality for residue 73 atoms:  CA CG2 OG1 HB
 &rst iat=1128,1132,1136,1131, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1126,1138,1129,1130, &end
#
#  chirality for residue 74 atoms:  CA SG HB2 HB3
 &rst iat=1142,1147,1145,1146, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1140,1149,1143,1144, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1153,1158,1156,1157, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1155,1160,1164,1159, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1151,1168,1154,1155, &end
#
#  chirality for residue 76 atoms:  CA OG HB2 HB3
 &rst iat=1172,1177,1175,1176, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1170,1179,1173,1174, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1183,1188,1186,1187, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=1185,1191,1189,1190, &end
#
#  chirality for residue 77 atoms:  CD NZ HE2 HE3
 &rst iat=1191,1197,1195,1196, &end
#
#  chirality for residue 77 atoms:  CG CE HD2 HD3
 &rst iat=1188,1194,1192,1193, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1181,1201,1184,1185, &end
#
#  chirality for residue 78 atoms:  N C HA2 HA3
 &rst iat=1203,1208,1206,1207, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1212,1217,1215,1216, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1210,1225,1213,1214, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1229,1234,1232,1233, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1231,1236,1240,1235, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1227,1244,1230,1231, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1248,1253,1251,1252, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1250,1256,1254,1255, &end
#
#  chirality for residue 81 atoms:  CD NZ HE2 HE3
 &rst iat=1256,1262,1260,1261, &end
#
#  chirality for residue 81 atoms:  CG CE HD2 HD3
 &rst iat=1253,1259,1257,1258, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1246,1266,1249,1250, &end
#
#  chirality for residue 82 atoms:  CA CG1 CG2 HB
 &rst iat=1270,1274,1278,1273, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1268,1282,1271,1272, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1286,1291,1289,1290, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1284,1299,1287,1288, &end
#
#  chirality for residue 84 atoms:  CA CG2 CG1 HB
 &rst iat=1303,1307,1311,1306, &end
#
#  chirality for residue 84 atoms:  CB CD1 HG12 HG13
 &rst iat=1305,1314,1312,1313, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1301,1318,1304,1305, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1322,1327,1325,1326, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1324,1330,1328,1329, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1320,1333,1323,1324, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1337,1342,1340,1341, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1339,1345,1343,1344, &end
#
#  chirality for residue 86 atoms:  CG NE HD2 HD3
 &rst iat=1342,1348,1346,1347, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1335,1357,1338,1339, &end
#
#  chirality for residue 87 atoms:  CA CG1 CG2 HB
 &rst iat=1361,1365,1369,1364, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1359,1373,1362,1363, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1377,1382,1380,1381, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1375,1390,1378,1379, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1394,1399,1397,1398, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1396,1402,1400,1401, &end
#
#  chirality for residue 89 atoms:  CD NZ HE2 HE3
 &rst iat=1402,1408,1406,1407, &end
#
#  chirality for residue 89 atoms:  CG CE HD2 HD3
 &rst iat=1399,1405,1403,1404, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1392,1412,1395,1396, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1416,1421,1419,1420, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1418,1424,1422,1423, &end
#
#  chirality for residue 90 atoms:  CD NZ HE2 HE3
 &rst iat=1424,1430,1428,1429, &end
#
#  chirality for residue 90 atoms:  CG CE HD2 HD3
 &rst iat=1421,1427,1425,1426, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1414,1434,1417,1418, &end
#
#  chirality for residue 91 atoms:  CA CG2 CG1 HB
 &rst iat=1438,1442,1446,1441, &end
#
#  chirality for residue 91 atoms:  CB CD1 HG12 HG13
 &rst iat=1440,1449,1447,1448, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1436,1453,1439,1440, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1457,1462,1460,1461, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1459,1465,1463,1464, &end
#
#  chirality for residue 92 atoms:  CD NZ HE2 HE3
 &rst iat=1465,1471,1469,1470, &end
#
#  chirality for residue 92 atoms:  CG CE HD2 HD3
 &rst iat=1462,1468,1466,1467, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1455,1475,1458,1459, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=70,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=92,90,88,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=111,109,107,92, &end
#
#  trans-omega constraint for residue 11
 &rst iat=131,129,127,111, &end
#
#  trans-omega constraint for residue 12
 &rst iat=145,143,141,131, &end
#
#  trans-omega constraint for residue 13
 &rst iat=155,153,151,145, &end
#
#  trans-omega constraint for residue 14
 &rst iat=170,168,166,155, &end
#
#  trans-omega constraint for residue 15
 &rst iat=191,189,187,170, &end
#
#  trans-omega constraint for residue 16
 &rst iat=201,199,197,191, &end
#
#  trans-omega constraint for residue 17
 &rst iat=215,213,211,201, &end
#
#  trans-omega constraint for residue 18
 &rst iat=237,235,233,215, &end
#
#  trans-omega constraint for residue 19
 &rst iat=253,251,249,237, &end
#
#  trans-omega constraint for residue 20
 &rst iat=273,271,269,253, &end
#
#  trans-omega constraint for residue 21
 &rst iat=295,293,291,273, &end
#
#  trans-omega constraint for residue 22
 &rst iat=315,313,311,295, &end
#
#  trans-omega constraint for residue 23
 &rst iat=337,335,333,315, &end
#
#  trans-omega constraint for residue 24
 &rst iat=354,352,350,337, &end
#
#  trans-omega constraint for residue 25
 &rst iat=365,363,361,354, &end
#
#  trans-omega constraint for residue 26
 &rst iat=384,382,380,365, &end
#
#  trans-omega constraint for residue 27
 &rst iat=401,399,397,384, &end
#
#  trans-omega constraint for residue 28
 &rst iat=411,409,407,401, &end
#
#  trans-omega constraint for residue 29
 &rst iat=428,426,424,411, &end
#
#  trans-omega constraint for residue 30
 &rst iat=447,445,443,428, &end
#
#  trans-omega constraint for residue 31
 &rst iat=471,469,467,447, &end
#
#  trans-omega constraint for residue 32
 &rst iat=490,488,486,471, &end
#
#  trans-omega constraint for residue 33
 &rst iat=507,505,503,490, &end
#
#  trans-omega constraint for residue 34
 &rst iat=521,519,517,507, &end
#
#  trans-omega constraint for residue 35
 &rst iat=535,533,531,521, &end
#
#  trans-omega constraint for residue 36
 &rst iat=550,548,546,535, &end
#
#  trans-omega constraint for residue 37
 &rst iat=580,570,568,550, &end
#
#  trans-omega constraint for residue 38
 &rst iat=586,584,582,580, &end
#
#  trans-omega constraint for residue 39
 &rst iat=607,605,603,586, &end
#
#  trans-omega constraint for residue 40
 &rst iat=629,627,625,607, &end
#
#  trans-omega constraint for residue 41
 &rst iat=647,637,635,629, &end
#
#  trans-omega constraint for residue 42
 &rst iat=653,651,649,647, &end
#
#  trans-omega constraint for residue 43
 &rst iat=670,668,666,653, &end
#
#  trans-omega constraint for residue 44
 &rst iat=680,678,676,670, &end
#
#  trans-omega constraint for residue 45
 &rst iat=691,689,687,680, &end
#
#  trans-omega constraint for residue 46
 &rst iat=712,710,708,691, &end
#
#  trans-omega constraint for residue 47
 &rst iat=722,720,718,712, &end
#
#  trans-omega constraint for residue 48
 &rst iat=733,731,729,722, &end
#
#  trans-omega constraint for residue 49
 &rst iat=743,741,739,733, &end
#
#  trans-omega constraint for residue 50
 &rst iat=762,760,758,743, &end
#
#  trans-omega constraint for residue 51
 &rst iat=784,782,780,762, &end
#
#  trans-omega constraint for residue 52
 &rst iat=794,792,790,784, &end
#
#  trans-omega constraint for residue 53
 &rst iat=808,806,804,794, &end
#
#  trans-omega constraint for residue 54
 &rst iat=827,825,823,808, &end
#
#  trans-omega constraint for residue 55
 &rst iat=841,839,837,827, &end
#
#  trans-omega constraint for residue 56
 &rst iat=857,855,853,841, &end
#
#  trans-omega constraint for residue 57
 &rst iat=874,872,870,857, &end
#
#  trans-omega constraint for residue 58
 &rst iat=893,891,889,874, &end
#
#  trans-omega constraint for residue 59
 &rst iat=917,915,913,893, &end
#
#  trans-omega constraint for residue 60
 &rst iat=939,937,935,917, &end
#
#  trans-omega constraint for residue 61
 &rst iat=956,954,952,939, &end
#
#  trans-omega constraint for residue 62
 &rst iat=970,968,966,956, &end
#
#  trans-omega constraint for residue 63
 &rst iat=977,975,973,970, &end
#
#  trans-omega constraint for residue 64
 &rst iat=992,990,988,977, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1014,1012,1010,992, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1034,1032,1030,1014, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1044,1042,1040,1034, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1054,1052,1050,1044, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1066,1064,1062,1054, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1087,1085,1083,1066, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1097,1095,1093,1087, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1108,1106,1104,1097, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1128,1126,1124,1108, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1142,1140,1138,1128, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1153,1151,1149,1142, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1172,1170,1168,1153, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1183,1181,1179,1172, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1205,1203,1201,1183, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1212,1210,1208,1205, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1229,1227,1225,1212, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1248,1246,1244,1229, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1270,1268,1266,1248, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1286,1284,1282,1270, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1303,1301,1299,1286, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1322,1320,1318,1303, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1337,1335,1333,1322, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1361,1359,1357,1337, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1377,1375,1373,1361, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1394,1392,1390,1377, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1416,1414,1412,1394, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1438,1436,1434,1416, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1457,1455,1453,1438, &end
#
# 7 GLY QA 8 LYS QB 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr1=  64,  65,
 igr2=  73,  74,
 &end
#
# 8 LYS HA 8 LYS QE 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=  82,  83,
 &end
#
# 8 LYS HA 8 LYS QG 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=  76,  77,
 &end
#
# 8 LYS HA 9 ILE HG12 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 101, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 8 LYS HA 9 ILE HG13 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 102, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 8 LYS HA 9 ILE HN 2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  91, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 8 LYS HA 9 ILE QD1 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 104, 105, 106,
 &end
#
# 8 LYS QB 10 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 10 PHE QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  73,  74,
 igr2= 120, 124,
 &end
#
# 8 LYS QB 9 ILE HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=  73,  74,
 &end
#
# 8 LYS QD 10 PHE HZ 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=  79,  80,
 &end
#
# 8 LYS QD 10 PHE QE 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=  79,  80,
 igr2= 120, 124,
 &end
#
# 8 LYS QE 10 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  82,  83,
 &end
#
# 8 LYS QG 10 PHE HZ 5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=  76,  77,
 &end
#
# 8 LYS QG 10 PHE QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  76,  77,
 igr2= 118, 126,
 &end
#
# 8 LYS QG 10 PHE QE 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=  76,  77,
 igr2= 120, 124,
 &end
#
# 8 LYS QG 8 LYS QE 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=  76,  77,
 igr2=  82,  83,
 &end
#
# 8 LYS QG 9 ILE HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  76,  77,
 &end
#
# 9 ILE HA 10 PHE HB2 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 114, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 9 ILE HA 10 PHE HN 2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 110, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 9 ILE HA 10 PHE QD 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 118, 126,
 &end
#
# 9 ILE HA 18 VAL QQG 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 9 ILE HA 19 PHE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 ILE HA 9 ILE HG12 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 101, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 9 ILE HA 9 ILE QD1 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 104, 105, 106,
 &end
#
# 9 ILE HA 9 ILE QG2 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=  97,  98,  99,
 &end
#
# 9 ILE HB 10 PHE HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 110, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 9 ILE HB 18 VAL QQG 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 9 ILE HB 9 ILE QD1 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 104, 105, 106,
 &end
#
# 9 ILE HG12 10 PHE HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 110, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 9 ILE HN 10 PHE HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 110, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 9 ILE HN 9 ILE HB 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  95, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 9 ILE HN 9 ILE HG12 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 101, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 9 ILE HN 9 ILE HG13 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 102, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 9 ILE HN 9 ILE QD1 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 104, 105, 106,
 &end
#
# 9 ILE HN 9 ILE QG2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=  97,  98,  99,
 &end
#
# 9 ILE QD1 10 PHE HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 104, 105, 106,
 &end
#
# 9 ILE QG2 10 PHE HA 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=  97,  98,  99,
 &end
#
# 9 ILE QG2 10 PHE HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  97,  98,  99,
 &end
#
# 9 ILE QG2 10 PHE QD 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  97,  98,  99,
 igr2= 118, 126,
 &end
#
# 9 ILE QG2 11 THR HB 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  97,  98,  99,
 &end
#
# 9 ILE QG2 11 THR QG2 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  97,  98,  99,
 igr2= 136, 137, 138,
 &end
#
# 9 ILE QG2 18 VAL HB 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=  97,  98,  99,
 &end
#
# 9 ILE QG2 19 PHE HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=  97,  98,  99,
 &end
#
# 9 ILE QG2 20 LYS HA 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=  97,  98,  99,
 &end
#
# 9 ILE QG2 9 ILE HG12 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=  97,  98,  99,
 &end
#
# 9 ILE QG2 9 ILE HG13 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=  97,  98,  99,
 &end
#
# 10 PHE HA 10 PHE QD 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 118, 126,
 &end
#
# 10 PHE HA 11 THR HN 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 130, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 10 PHE HA 25 LEU QQD 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 10 PHE HB2 11 THR HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 130, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 10 PHE HB2 19 PHE HB2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 256, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 10 PHE HB2 19 PHE HB3 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 257, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 10 PHE HB2 19 PHE HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 252, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 10 PHE HB2 19 PHE QD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 260, 268,
 &end
#
# 10 PHE HB2 20 LYS HA 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 274, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 10 PHE HB2 25 LEU HB2 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 368, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 10 PHE HB2 25 LEU HB3 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 369, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 10 PHE HB2 25 LEU QB 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 368, 369,
 &end
#
# 10 PHE HB2 25 LEU QD1 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 373, 374, 375,
 &end
#
# 10 PHE HB2 25 LEU QD2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 377, 378, 379,
 &end
#
# 10 PHE HB2 25 LEU QQD 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 10 PHE HB3 11 THR HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 10 PHE HB3 19 PHE HB2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 10 PHE HB3 19 PHE HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 PHE HB3 19 PHE HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 252, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 10 PHE HB3 22 LYS HA 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 316, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 10 PHE HB3 25 LEU HB2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 368, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 10 PHE HB3 25 LEU HB3 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 369, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 10 PHE HB3 25 LEU QB 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 368, 369,
 &end
#
# 10 PHE HB3 25 LEU QQD 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 10 PHE HN 10 PHE HB2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 10 PHE HN 10 PHE HB3 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 10 PHE HN 10 PHE QD 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 118, 126,
 &end
#
# 10 PHE HN 18 VAL QQG 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 10 PHE HN 19 PHE HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 10 PHE HN 20 LYS HA 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 274, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 10 PHE HZ 22 LYS HA 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 316, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 10 PHE HZ 22 LYS HB2 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 318, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 10 PHE HZ 22 LYS HB3 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 319, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 10 PHE HZ 22 LYS QB 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 318, 319,
 &end
#
# 10 PHE HZ 22 LYS QD 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 324, 325,
 &end
#
# 10 PHE HZ 22 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 327, 328,
 &end
#
# 10 PHE QD 10 PHE HZ 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 118, 126,
 &end
#
# 10 PHE QD 11 THR HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 118, 126,
 &end
#
# 10 PHE QD 19 PHE HB2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 118, 126,
 &end
#
# 10 PHE QD 20 LYS HA 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 118, 126,
 &end
#
# 10 PHE QD 22 LYS HA 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 118, 126,
 &end
#
# 10 PHE QD 22 LYS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 118, 126,
 igr2= 318, 319,
 &end
#
# 10 PHE QD 22 LYS QE 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 118, 126,
 igr2= 327, 328,
 &end
#
# 10 PHE QD 25 LEU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 118, 126,
 igr2= 368, 369,
 &end
#
# 10 PHE QD 25 LEU QQD 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 118, 126,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 10 PHE QE 22 LYS HA 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 120, 124,
 &end
#
# 10 PHE QE 22 LYS HB2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 120, 124,
 &end
#
# 10 PHE QE 22 LYS HB3 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 120, 124,
 &end
#
# 10 PHE QE 22 LYS QB 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 120, 124,
 igr2= 318, 319,
 &end
#
# 10 PHE QE 22 LYS QD 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 120, 124,
 igr2= 324, 325,
 &end
#
# 10 PHE QE 22 LYS QE 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 120, 124,
 igr2= 327, 328,
 &end
#
# 10 PHE QE 22 LYS QG 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 120, 124,
 igr2= 321, 322,
 &end
#
# 11 THR HA 11 THR QG2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 136, 137, 138,
 &end
#
# 11 THR HA 12 CYM  HB2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 149, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 11 THR HA 12 CYM  HN 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 144, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 11 THR HA 18 VAL HA 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 238, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 11 THR HA 18 VAL QG1 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 242, 243, 244,
 &end
#
# 11 THR HA 18 VAL QG2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 246, 247, 248,
 &end
#
# 11 THR HA 18 VAL QQG 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 11 THR HA 19 PHE HN 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 252, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 11 THR HA 19 PHE QD 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 260, 268,
 &end
#
# 11 THR HA 25 LEU QQD 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 11 THR HB 12 CYM  HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 144, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 11 THR HB 18 VAL QG1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 242, 243, 244,
 &end
#
# 11 THR HB 18 VAL QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 246, 247, 248,
 &end
#
# 11 THR HB 18 VAL QQG 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 11 THR HN 11 THR HB 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 134, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 11 THR HN 11 THR QG2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 136, 137, 138,
 &end
#
# 11 THR HN 25 LEU QQD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 11 THR QG2 12 CYM  HB2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 12 CYM  HB3 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 12 CYM  HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 13 GLU HA 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 13 GLU HN 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 16 ASN HA 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 16 ASN HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 16 ASN QB 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 136, 137, 138,
 igr2= 204, 205,
 &end
#
# 11 THR QG2 17 LYS HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 18 VAL HA 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 18 VAL HB 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 136, 137, 138,
 &end
#
# 11 THR QG2 18 VAL QG1 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 136, 137, 138,
 igr2= 242, 243, 244,
 &end
#
# 11 THR QG2 18 VAL QG2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 136, 137, 138,
 igr2= 246, 247, 248,
 &end
#
# 11 THR QG2 18 VAL QQG 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 136, 137, 138,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 11 THR QG2 19 PHE HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 136, 137, 138,
 &end
#
# 12 CYM  HA 13 GLU HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 154, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 12 CYM  HA 13 GLU QB 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 158, 159,
 &end
#
# 12 CYM  HA 14 TYR HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 169, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 12 CYM  HA 25 LEU QD1 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 373, 374, 375,
 &end
#
# 12 CYM  HA 25 LEU QD2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 377, 378, 379,
 &end
#
# 12 CYM  HA 25 LEU QQD 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 12 CYM  HA 29 LEU QQD 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 12 CYM  HB2 13 GLU HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 154, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 12 CYM  HB2 14 TYR HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 169, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 12 CYM  HB2 15 CYM  HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 190, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 12 CYM  HB2 17 LYS HB2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 218, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 12 CYM  HB2 17 LYS HB3 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 219, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 12 CYM  HB2 17 LYS HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 CYM  HB2 17 LYS HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 214, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 12 CYM  HB2 17 LYS QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 224, 225,
 &end
#
# 12 CYM  HB2 19 PHE HZ 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 264, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 12 CYM  HB2 19 PHE QD 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 260, 268,
 &end
#
# 12 CYM  HB2 19 PHE QE 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 262, 266,
 &end
#
# 12 CYM  HB2 25 LEU QD1 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 373, 374, 375,
 &end
#
# 12 CYM  HB2 25 LEU QD2 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 377, 378, 379,
 &end
#
# 12 CYM  HB2 25 LEU QQD 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 423, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 12 CYM  HB2 29 LEU QQD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 12 CYM  HB3 13 GLU HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 154, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 12 CYM  HB3 14 TYR HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 169, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 190, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 12 CYM  HB3 16 ASN HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 200, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 12 CYM  HB3 17 LYS HB2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 218, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 12 CYM  HB3 17 LYS HB3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 219, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 12 CYM  HB3 17 LYS HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 214, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 12 CYM  HB3 19 PHE QE 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 262, 266,
 &end
#
# 12 CYM  HB3 25 LEU QQD 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 423, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 149, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 12 CYM  HN 13 GLU HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 154, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 12 CYM  HN 17 LYS HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 214, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 12 CYM  HN 18 VAL HA 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 238, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 12 CYM  HN 18 VAL QG1 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 242, 243, 244,
 &end
#
# 12 CYM  HN 18 VAL QG2 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 246, 247, 248,
 &end
#
# 12 CYM  HN 18 VAL QQG 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 12 CYM  HN 19 PHE QD 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 260, 268,
 &end
#
# 12 CYM  HN 19 PHE QE 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 262, 266,
 &end
#
# 12 CYM  HN 25 LEU QQD 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 13 GLU HA 13 GLU QB 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 158, 159,
 &end
#
# 13 GLU HA 13 GLU QG 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 161, 162,
 &end
#
# 13 GLU HG2 14 TYR QE 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 179, 184,
 &end
#
# 13 GLU HG3 14 TYR QE 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 179, 184,
 &end
#
# 13 GLU HN 13 GLU HG2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 161, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 13 GLU HN 13 GLU HG3 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 162, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 13 GLU HN 13 GLU QB 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 158, 159,
 &end
#
# 13 GLU HN 13 GLU QG 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 161, 162,
 &end
#
# 13 GLU HN 14 TYR HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 13 GLU HN 25 LEU QQD 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 13 GLU HN 29 LEU QQD 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 13 GLU QB 14 TYR HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 158, 159,
 &end
#
# 13 GLU QB 14 TYR QD 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 158, 159,
 igr2= 177, 186,
 &end
#
# 13 GLU QG 14 TYR QD 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 161, 162,
 igr2= 177, 186,
 &end
#
# 13 GLU QG 14 TYR QE 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 161, 162,
 igr2= 179, 184,
 &end
#
# 14 TYR HA 14 TYR QD 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 177, 186,
 &end
#
# 14 TYR HA 14 TYR QE 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 179, 184,
 &end
#
# 14 TYR HB2 15 CYM  HN 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 190, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 14 TYR HB2 32 HIS HD2 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 502, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 14 TYR HB2 32 HIS HE1 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 499, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 14 TYR HB3 15 CYM  HN 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 190, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 14 TYR HB3 32 HIS HD2 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 502, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 14 TYR HB3 32 HIS HE1 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 499, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 14 TYR HN 14 TYR HB2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 173, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 14 TYR HN 14 TYR HB3 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 174, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 14 TYR HN 14 TYR QB 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 173, 174,
 &end
#
# 14 TYR HN 14 TYR QD 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 177, 186,
 &end
#
# 14 TYR HN 14 TYR QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 179, 184,
 &end
#
# 14 TYR HN 15 CYM  HN 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 190, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 14 TYR HN 16 ASN HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 200, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 14 TYR HN 25 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 14 TYR QB 15 CYM  HN 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 173, 174,
 &end
#
# 14 TYR QB 32 HIS HD2 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 173, 174,
 &end
#
# 14 TYR QB 32 HIS HE1 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 173, 174,
 &end
#
# 14 TYR QD 15 CYM  HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 177, 186,
 &end
#
# 14 TYR QD 29 LEU QQD 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 177, 186,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 14 TYR QD 32 HIS HD2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 177, 186,
 &end
#
# 14 TYR QD 32 HIS QB 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 177, 186,
 igr2= 493, 494,
 &end
#
# 14 TYR QE 29 LEU QD1 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 179, 184,
 igr2= 436, 437, 438,
 &end
#
# 14 TYR QE 29 LEU QD2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 179, 184,
 igr2= 440, 441, 442,
 &end
#
# 14 TYR QE 29 LEU QQD 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 179, 184,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 14 TYR QE 32 HIS QB 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 179, 184,
 igr2= 493, 494,
 &end
#
# 14 TYR QE 33 THR QG2 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 179, 184,
 igr2= 512, 513, 514,
 &end
#
# 15 CYM  HA 32 HIS HE1 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 499, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 15 CYM  HB2 16 ASN HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 200, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 15 CYM  HB3 16 ASN HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 200, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 15 CYM  HN 15 CYM  HB2 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 195, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 15 CYM  HN 15 CYM  HB3 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 15 CYM  HN 15 CYM  QB 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 195, 194,
 &end
#
# 15 CYM  HN 16 ASN HA 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 202, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 15 CYM  HN 17 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 214, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 15 CYM  QB 16 ASN HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 195, 194,
 &end
#
# 15 CYM  QB 17 LYS HB2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 195, 194,
 &end
#
# 15 CYM  QB 17 LYS HG3 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 195, 194,
 &end
#
# 15 CYM  QB 17 LYS HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 195, 194,
 &end
#
# 15 CYM  QB 32 HIS HE1 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 195, 194,
 &end
#
# 16 ASN HN 16 ASN QB 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 204, 205,
 &end
#
# 16 ASN HN 17 LYS HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 214, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 16 ASN QB 17 LYS HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 204, 205,
 &end
#
# 17 LYS HA 17 LYS HD2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 224, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 17 LYS HA 17 LYS HD3 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 225, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 17 LYS HA 17 LYS HG2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 221, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 17 LYS HA 18 VAL HB 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 240, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 17 LYS HA 18 VAL HN 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 236, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 17 LYS HA 18 VAL QQG 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 17 LYS HA 19 PHE QE 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 262, 266,
 &end
#
# 17 LYS HB2 18 VAL HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 236, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 17 LYS HB2 19 PHE HZ 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 264, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 17 LYS HB2 19 PHE QE 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 262, 266,
 &end
#
# 17 LYS HB3 17 LYS QD 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 224, 225,
 &end
#
# 17 LYS HB3 17 LYS QE 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 227, 228,
 &end
#
# 17 LYS HB3 18 VAL HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 236, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 17 LYS HB3 18 VAL QQG 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 17 LYS HB3 19 PHE HZ 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 264, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 17 LYS HB3 19 PHE QE 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 262, 266,
 &end
#
# 17 LYS HD2 19 PHE HZ 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 264, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 17 LYS HD2 19 PHE QE 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 262, 266,
 &end
#
# 17 LYS HD2 28 HIS HE1 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 420, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 17 LYS HD3 19 PHE HZ 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 264, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 17 LYS HD3 19 PHE QE 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 262, 266,
 &end
#
# 17 LYS HD3 28 HIS HE1 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 420, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 17 LYS HG2 17 LYS QE 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 227, 228,
 &end
#
# 17 LYS HG2 18 VAL HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 236, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 17 LYS HG2 19 PHE HZ 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 264, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 17 LYS HG3 17 LYS QE 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 227, 228,
 &end
#
# 17 LYS HG3 18 VAL HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 17 LYS HN 17 LYS HB2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 218, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 17 LYS HN 17 LYS HB3 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 219, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 17 LYS HN 17 LYS HG2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 221, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 17 LYS HN 17 LYS HG3 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17 LYS HN 18 VAL HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 236, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 17 LYS HN 19 PHE QE 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 262, 266,
 &end
#
# 17 LYS QD 18 VAL HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 224, 225,
 &end
#
# 17 LYS QD 19 PHE QE 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 224, 225,
 igr2= 262, 266,
 &end
#
# 17 LYS QD 28 HIS HE1 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 224, 225,
 &end
#
# 17 LYS QE 19 PHE HZ 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 227, 228,
 &end
#
# 17 LYS QE 28 HIS HE1 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 227, 228,
 &end
#
# 18 VAL HA 18 VAL QG1 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 242, 243, 244,
 &end
#
# 18 VAL HA 18 VAL QG2 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 246, 247, 248,
 &end
#
# 18 VAL HA 19 PHE HN 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 252, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 18 VAL HA 19 PHE QD 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 260, 268,
 &end
#
# 18 VAL HA 19 PHE QE 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 262, 266,
 &end
#
# 18 VAL HB 19 PHE HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 252, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 18 VAL HN 18 VAL HB 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 18 VAL HN 18 VAL QG1 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 242, 243, 244,
 &end
#
# 18 VAL HN 18 VAL QG2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 246, 247, 248,
 &end
#
# 18 VAL HN 18 VAL QQG 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 242, 243, 244, 246, 247, 248,
 &end
#
# 18 VAL HN 19 PHE HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 252, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 18 VAL QG1 19 PHE HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 242, 243, 244,
 &end
#
# 18 VAL QG1 19 PHE QD 5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 242, 243, 244,
 igr2= 260, 268,
 &end
#
# 18 VAL QG2 19 PHE HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 246, 247, 248,
 &end
#
# 18 VAL QG2 19 PHE QD 5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 246, 247, 248,
 igr2= 260, 268,
 &end
#
# 18 VAL QQG 19 PHE HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 242, 243, 244, 246, 247, 248,
 &end
#
# 18 VAL QQG 19 PHE QD 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 242, 243, 244, 246, 247, 248,
 igr2= 260, 268,
 &end
#
# 19 PHE HA 19 PHE QD 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 260, 268,
 &end
#
# 19 PHE HA 19 PHE QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 262, 266,
 &end
#
# 19 PHE HA 21 PHE HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 294, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 19 PHE HB2 21 PHE HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 294, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 19 PHE HB2 24 SER HB2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 357, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 19 PHE HB2 24 SER HB3 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 358, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 19 PHE HB2 24 SER QB 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 357, 358,
 &end
#
# 19 PHE HB2 25 LEU HA 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 366, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 19 PHE HB2 25 LEU HB2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 368, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 19 PHE HB2 25 LEU HB3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 369, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 19 PHE HB2 25 LEU HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 364, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 19 PHE HB2 25 LEU QB 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 368, 369,
 &end
#
# 19 PHE HB2 25 LEU QD1 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 373, 374, 375,
 &end
#
# 19 PHE HB2 25 LEU QD2 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 377, 378, 379,
 &end
#
# 19 PHE HB2 25 LEU QQD 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 19 PHE HB3 21 PHE HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 294, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 19 PHE HB3 24 SER HB2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 357, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 19 PHE HB3 24 SER HB3 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 358, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 19 PHE HB3 25 LEU HA 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 366, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 19 PHE HB3 25 LEU HB2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 368, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 19 PHE HB3 25 LEU HB3 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 369, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 19 PHE HB3 25 LEU HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 364, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 19 PHE HB3 25 LEU QB 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 368, 369,
 &end
#
# 19 PHE HB3 25 LEU QQD 5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 19 PHE HN 19 PHE HB2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 256, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 19 PHE HN 19 PHE HB3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 19 PHE HN 19 PHE QD 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 260, 268,
 &end
#
# 19 PHE HN 19 PHE QE 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 262, 266,
 &end
#
# 19 PHE HN 25 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 19 PHE HZ 25 LEU QQD 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 19 PHE HZ 28 HIS HB2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 414, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 19 PHE HZ 28 HIS HB3 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 415, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 19 PHE HZ 28 HIS HD2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 423, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 19 PHE HZ 28 HIS HE1 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 420, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 19 PHE QD 19 PHE HZ 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 260, 268,
 &end
#
# 19 PHE QD 24 SER HA 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 260, 268,
 &end
#
# 19 PHE QD 24 SER HB2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 260, 268,
 &end
#
# 19 PHE QD 24 SER HB3 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 260, 268,
 &end
#
# 19 PHE QD 24 SER QB 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 260, 268,
 igr2= 357, 358,
 &end
#
# 19 PHE QD 25 LEU HA 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 260, 268,
 &end
#
# 19 PHE QD 25 LEU HB2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 260, 268,
 &end
#
# 19 PHE QD 25 LEU HB3 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 260, 268,
 &end
#
# 19 PHE QD 25 LEU HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 260, 268,
 &end
#
# 19 PHE QD 25 LEU QB 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 260, 268,
 igr2= 368, 369,
 &end
#
# 19 PHE QD 25 LEU QD1 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 260, 268,
 igr2= 373, 374, 375,
 &end
#
# 19 PHE QD 25 LEU QD2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 260, 268,
 igr2= 377, 378, 379,
 &end
#
# 19 PHE QD 25 LEU QQD 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 260, 268,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 19 PHE QE 24 SER QB 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 262, 266,
 igr2= 357, 358,
 &end
#
# 19 PHE QE 25 LEU HA 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 262, 266,
 &end
#
# 19 PHE QE 25 LEU QQD 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 262, 266,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 19 PHE QE 28 HIS HB2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 262, 266,
 &end
#
# 19 PHE QE 28 HIS HB3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 262, 266,
 &end
#
# 19 PHE QE 28 HIS HD2 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 262, 266,
 &end
#
# 19 PHE QE 28 HIS HN 5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 262, 266,
 &end
#
# 20 LYS HA 20 LYS HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 279, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 20 LYS HA 20 LYS HG3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 280, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 20 LYS HA 20 LYS QD 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 282, 283,
 &end
#
# 20 LYS HA 20 LYS QG 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 279, 280,
 &end
#
# 20 LYS HB2 21 PHE HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 294, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 20 LYS HB2 21 PHE QD 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 302, 310,
 &end
#
# 20 LYS HB2 21 PHE QE 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 304, 308,
 &end
#
# 20 LYS HB3 21 PHE HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 294, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 20 LYS HB3 21 PHE QD 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 302, 310,
 &end
#
# 20 LYS HB3 21 PHE QE 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 304, 308,
 &end
#
# 20 LYS HG2 20 LYS QE 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 285, 286,
 &end
#
# 20 LYS HG3 20 LYS QE 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 285, 286,
 &end
#
# 20 LYS HN 21 PHE HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 294, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 20 LYS QB 20 LYS QD 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 276, 277,
 igr2= 282, 283,
 &end
#
# 20 LYS QB 21 PHE QD 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 276, 277,
 igr2= 302, 310,
 &end
#
# 20 LYS QD 21 PHE HZ 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 282, 283,
 &end
#
# 20 LYS QD 21 PHE QE 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 282, 283,
 igr2= 304, 308,
 &end
#
# 20 LYS QE 21 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 285, 286,
 &end
#
# 20 LYS QE 21 PHE QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 285, 286,
 igr2= 302, 310,
 &end
#
# 20 LYS QE 21 PHE QE 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 285, 286,
 igr2= 304, 308,
 &end
#
# 20 LYS QG 20 LYS QE 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 279, 280,
 igr2= 285, 286,
 &end
#
# 20 LYS QG 21 PHE HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 279, 280,
 &end
#
# 21 PHE HA 21 PHE QD 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 302, 310,
 &end
#
# 21 PHE HB2 23 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 PHE HB2 23 HIS HE1 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 346, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 21 PHE HB2 24 SER HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 353, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 21 PHE HB2 25 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 PHE HB3 23 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 PHE HB3 23 HIS HE1 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 346, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 21 PHE HB3 24 SER HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 353, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 21 PHE HB3 25 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 PHE HN 21 PHE HB2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 298, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 21 PHE HN 21 PHE HB3 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 299, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 21 PHE HN 21 PHE QB 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 298, 299,
 &end
#
# 21 PHE HN 21 PHE QD 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 302, 310,
 &end
#
# 21 PHE HN 24 SER HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 353, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 21 PHE HN 24 SER QB 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 357, 358,
 &end
#
# 21 PHE QB 23 HIS HD2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 298, 299,
 &end
#
# 21 PHE QB 23 HIS HE1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 298, 299,
 &end
#
# 21 PHE QB 24 SER HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 298, 299,
 &end
#
# 21 PHE QB 24 SER QB 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 298, 299,
 igr2= 357, 358,
 &end
#
# 21 PHE QB 25 LEU HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 298, 299,
 &end
#
# 21 PHE QD 24 SER HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 302, 310,
 &end
#
# 21 PHE QD 24 SER QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 302, 310,
 igr2= 357, 358,
 &end
#
# 22 LYS HA 22 LYS QG 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 321, 322,
 &end
#
# 22 LYS HA 25 LEU HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 364, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 22 LYS HA 25 LEU QB 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 368, 369,
 &end
#
# 22 LYS HA 26 GLN HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 383, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 22 LYS HG2 26 GLN HG2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 390, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 22 LYS HG2 26 GLN HG3 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 391, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 22 LYS HG3 26 GLN HG2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 390, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 22 LYS HG3 26 GLN HG3 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 391, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 22 LYS QG 22 LYS QE 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 321, 322,
 igr2= 327, 328,
 &end
#
# 22 LYS QG 26 GLN HB2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 321, 322,
 &end
#
# 22 LYS QG 26 GLN HB3 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 321, 322,
 &end
#
# 22 LYS QG 26 GLN HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 321, 322,
 &end
#
# 22 LYS QG 26 GLN QG 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 321, 322,
 igr2= 390, 391,
 &end
#
# 23 HIS HA 26 GLN HB2 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 387, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 23 HIS HA 26 GLN HB3 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 388, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 23 HIS HA 26 GLN HG2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 390, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 23 HIS HA 26 GLN HG3 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 391, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 23 HIS HA 26 GLN HN 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 383, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 23 HIS HA 26 GLN QG 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 390, 391,
 &end
#
# 23 HIS HA 27 ALA HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 400, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 23 HIS HB2 26 GLN HB2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 387, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 23 HIS HB3 26 GLN HB2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 387, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 23 HIS HD2 24 SER HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 353, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 23 HIS QB 24 SER HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 340, 341,
 &end
#
# 23 HIS QB 26 GLN HB3 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 340, 341,
 &end
#
# 24 SER HA 27 ALA HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 400, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 24 SER HA 27 ALA QB 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 404, 405, 406,
 &end
#
# 24 SER HB2 25 LEU HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 364, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 24 SER HB3 25 LEU HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 364, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 24 SER HN 24 SER HB2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 24 SER HN 24 SER HB3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 24 SER HN 24 SER QB 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 357, 358,
 &end
#
# 24 SER HN 25 LEU HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 364, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 24 SER HN 26 GLN HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 383, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 24 SER QB 25 LEU HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 357, 358,
 &end
#
# 25 LEU HA 25 LEU HG 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 25 LEU HA 25 LEU QD1 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 373, 374, 375,
 &end
#
# 25 LEU HA 25 LEU QD2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 377, 378, 379,
 &end
#
# 25 LEU HA 25 LEU QQD 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU HA 27 ALA QB 5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 404, 405, 406,
 &end
#
# 25 LEU HA 28 HIS HA 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 412, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 25 LEU HA 28 HIS HB2 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 414, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 25 LEU HA 28 HIS HB3 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 415, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 25 LEU HA 28 HIS HD2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 423, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 25 LEU HA 28 HIS HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 410, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 25 LEU HA 29 LEU HG 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 434, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 25 LEU HA 29 LEU HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 427, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 25 LEU HA 29 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 436, 437, 438,
 &end
#
# 25 LEU HA 29 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 440, 441, 442,
 &end
#
# 25 LEU HA 29 LEU QQD 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 25 LEU HB2 25 LEU QD1 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 373, 374, 375,
 &end
#
# 25 LEU HB2 25 LEU QD2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 377, 378, 379,
 &end
#
# 25 LEU HB2 26 GLN HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 25 LEU HB3 25 LEU QD1 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 373, 374, 375,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 377, 378, 379,
 &end
#
# 25 LEU HB3 26 GLN HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 25 LEU HG 26 GLN HA 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 385, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 25 LEU HG 26 GLN HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 25 LEU HG 29 LEU HG 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 434, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 25 LEU HG 29 LEU QQD 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 25 LEU HN 25 LEU HB2 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 25 LEU HN 25 LEU HB3 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 369, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 25 LEU HN 25 LEU HG 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 371, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 25 LEU HN 25 LEU QB 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 368, 369,
 &end
#
# 25 LEU HN 25 LEU QD1 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 373, 374, 375,
 &end
#
# 25 LEU HN 25 LEU QD2 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 377, 378, 379,
 &end
#
# 25 LEU HN 25 LEU QQD 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU HN 26 GLN HB2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 387, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 25 LEU HN 26 GLN HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 383, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 25 LEU HN 26 GLN QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 390, 391,
 &end
#
# 25 LEU HN 27 ALA HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 400, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 25 LEU HN 27 ALA QB 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 404, 405, 406,
 &end
#
# 25 LEU QB 25 LEU QQD 2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 368, 369,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QB 26 GLN HN 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 368, 369,
 &end
#
# 25 LEU QD1 26 GLN HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 373, 374, 375,
 &end
#
# 25 LEU QD2 26 GLN HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 377, 378, 379,
 &end
#
# 25 LEU QQD 26 GLN HA 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QQD 28 HIS HB2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QQD 28 HIS HB3 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QQD 28 HIS HD2 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QQD 28 HIS HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QQD 29 LEU HA 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QQD 29 LEU HG 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QQD 29 LEU HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
# 25 LEU QQD 29 LEU QQD 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 26 GLN HA 26 GLN HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 26 GLN HA 26 GLN HG3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 391, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 26 GLN HA 26 GLN QG 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 390, 391,
 &end
#
# 26 GLN HA 27 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 404, 405, 406,
 &end
#
# 26 GLN HA 28 HIS HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 410, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 26 GLN HA 29 LEU HB2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 431, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 26 GLN HA 29 LEU HB3 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 432, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 26 GLN HA 29 LEU HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 427, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 26 GLN HA 29 LEU QQD 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 26 GLN HB2 27 ALA HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 26 GLN HB2 27 ALA QB 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 404, 405, 406,
 &end
#
# 26 GLN HB2 29 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 26 GLN HB3 27 ALA HA 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 26 GLN HB3 27 ALA HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 26 GLN HB3 27 ALA QB 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 404, 405, 406,
 &end
#
# 26 GLN HB3 29 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 26 GLN HN 26 GLN HB2 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 26 GLN HN 26 GLN HB3 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 26 GLN HN 26 GLN HG2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 26 GLN HN 26 GLN HG3 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 26 GLN HN 26 GLN QG 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 390, 391,
 &end
#
# 26 GLN HN 27 ALA HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 26 GLN HN 27 ALA QB 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 404, 405, 406,
 &end
#
# 26 GLN HN 29 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 27 ALA HA 30 ARG HG2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 453, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 27 ALA HA 30 ARG HG3 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 454, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 27 ALA HA 30 ARG HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 446, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 27 ALA HA 30 ARG QD 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 456, 457,
 &end
#
# 27 ALA HA 30 ARG QG 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 453, 454,
 &end
#
# 27 ALA HN 27 ALA QB 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 404, 405, 406,
 &end
#
# 27 ALA HN 28 HIS HB3 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 415, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 27 ALA HN 29 LEU HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 427, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 27 ALA QB 28 HIS HA 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 404, 405, 406,
 &end
#
# 27 ALA QB 28 HIS HB2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 404, 405, 406,
 &end
#
# 27 ALA QB 28 HIS HB3 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 404, 405, 406,
 &end
#
# 27 ALA QB 28 HIS HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 404, 405, 406,
 &end
#
# 27 ALA QB 30 ARG HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 404, 405, 406,
 &end
#
# 27 ALA QB 30 ARG QD 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 404, 405, 406,
 igr2= 456, 457,
 &end
#
# 27 ALA QB 30 ARG QG 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 404, 405, 406,
 igr2= 453, 454,
 &end
#
# 28 HIS HA 30 ARG HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 446, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 28 HIS HA 31 ILE HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 470, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 28 HIS HA 31 ILE QD1 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 483, 484, 485,
 &end
#
# 28 HIS HA 31 ILE QG2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 476, 477, 478,
 &end
#
# 28 HIS HB2 29 LEU HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 28 HIS HB3 29 LEU HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 28 HIS HD2 29 LEU HA 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 28 HIS HD2 29 LEU HG 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 434, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 28 HIS HD2 29 LEU HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 28 HIS HD2 29 LEU QQD 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 28 HIS HD2 32 HIS HD2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 502, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 28 HIS HE1 31 ILE QD1 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 483, 484, 485,
 &end
#
# 28 HIS HE1 31 ILE QG2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 476, 477, 478,
 &end
#
# 28 HIS HN 28 HIS HB2 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 28 HIS HN 28 HIS HB3 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 28 HIS HN 29 LEU HG 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 434, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 28 HIS HN 29 LEU HN 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 28 HIS HN 30 ARG HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 446, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 29 LEU HA 29 LEU HG 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 29 LEU HA 29 LEU QD1 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 436, 437, 438,
 &end
#
# 29 LEU HA 29 LEU QD2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 440, 441, 442,
 &end
#
# 29 LEU HA 29 LEU QQD 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 29 LEU HA 31 ILE HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 470, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 29 LEU HA 32 HIS HD2 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 502, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 29 LEU HA 32 HIS HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 489, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 29 LEU HA 32 HIS QB 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 493, 494,
 &end
#
# 29 LEU HB2 29 LEU QD1 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 436, 437, 438,
 &end
#
# 29 LEU HB2 29 LEU QD2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 440, 441, 442,
 &end
#
# 29 LEU HB2 29 LEU QQD 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 29 LEU HB2 30 ARG HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 29 LEU HB2 33 THR QG2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 512, 513, 514,
 &end
#
# 29 LEU HB3 29 LEU QD1 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 436, 437, 438,
 &end
#
# 29 LEU HB3 29 LEU QD2 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 440, 441, 442,
 &end
#
# 29 LEU HB3 29 LEU QQD 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 29 LEU HB3 30 ARG HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 29 LEU HB3 33 THR QG2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 512, 513, 514,
 &end
#
# 29 LEU HG 32 HIS HD2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 502, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 29 LEU HN 29 LEU HB2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 29 LEU HN 29 LEU HB3 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 29 LEU HN 29 LEU HG 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 29 LEU HN 29 LEU QD1 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 436, 437, 438,
 &end
#
# 29 LEU HN 29 LEU QD2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 440, 441, 442,
 &end
#
# 29 LEU HN 30 ARG HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 446, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 29 LEU HN 32 HIS HD2 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 502, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 29 LEU QQD 30 ARG HN 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 29 LEU QQD 32 HIS HD2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 29 LEU QQD 32 HIS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 29 LEU QQD 32 HIS QB 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2= 493, 494,
 &end
#
# 29 LEU QQD 33 THR QG2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2= 512, 513, 514,
 &end
#
# 30 ARG HA 30 ARG HG2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 30 ARG HA 30 ARG HG3 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 454, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 30 ARG HA 30 ARG QD 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 456, 457,
 &end
#
# 30 ARG HA 30 ARG QG 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 453, 454,
 &end
#
# 30 ARG HB2 30 ARG QD 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 456, 457,
 &end
#
# 30 ARG HB3 30 ARG QD 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 456, 457,
 &end
#
# 30 ARG HN 30 ARG HB2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 450, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 30 ARG HN 30 ARG HB3 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 30 ARG HN 30 ARG HG2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 453, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 30 ARG HN 30 ARG HG3 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 454, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 30 ARG HN 30 ARG QB 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 450, 451,
 &end
#
# 30 ARG HN 30 ARG QD 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 456, 457,
 &end
#
# 30 ARG HN 30 ARG QG 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 453, 454,
 &end
#
# 30 ARG HN 31 ILE HN 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 470, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 30 ARG HN 31 ILE QG2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 476, 477, 478,
 &end
#
# 30 ARG QB 30 ARG QD 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 450, 451,
 igr2= 456, 457,
 &end
#
# 30 ARG QB 31 ILE HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 450, 451,
 &end
#
# 30 ARG QB 31 ILE QG2 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 450, 451,
 igr2= 476, 477, 478,
 &end
#
# 31 ILE HA 31 ILE QD1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 483, 484, 485,
 &end
#
# 31 ILE HA 31 ILE QG1 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 480, 481,
 &end
#
# 31 ILE HA 31 ILE QG2 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 476, 477, 478,
 &end
#
# 31 ILE HB 31 ILE QD1 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 483, 484, 485,
 &end
#
# 31 ILE HB 32 HIS HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 489, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 31 ILE HG12 32 HIS HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 489, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 31 ILE HG13 32 HIS HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 489, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 31 ILE HN 31 ILE HB 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 31 ILE HN 31 ILE HG12 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 480, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 31 ILE HN 31 ILE HG13 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 481, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 31 ILE HN 31 ILE QD1 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 483, 484, 485,
 &end
#
# 31 ILE HN 31 ILE QG1 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 480, 481,
 &end
#
# 31 ILE HN 31 ILE QG2 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 476, 477, 478,
 &end
#
# 31 ILE HN 32 HIS HN 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 489, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 31 ILE QD1 32 HIS HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 483, 484, 485,
 &end
#
# 31 ILE QG1 32 HIS HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 480, 481,
 &end
#
# 31 ILE QG2 31 ILE QG1 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 476, 477, 478,
 igr2= 480, 481,
 &end
#
# 31 ILE QG2 32 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 476, 477, 478,
 &end
#
# 31 ILE QG2 32 HIS HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 476, 477, 478,
 &end
#
# 32 HIS HA 33 THR HA 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 32 HIS HN 32 HIS HB2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 493, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 32 HIS HN 32 HIS HB3 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 32 HIS HN 32 HIS HD2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 502, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 32 HIS HN 32 HIS QB 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 493, 494,
 &end
#
# 32 HIS HN 33 THR HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 506, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 32 HIS QB 33 THR QG2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 493, 494,
 igr2= 512, 513, 514,
 &end
#
# 33 THR HA 33 THR QG2 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 512, 513, 514,
 &end
#
# 33 THR HA 34 ASN HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 THR HN 33 THR QG2 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 512, 513, 514,
 &end
#
# 34 ASN HA 35 GLU QG 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 541, 542,
 &end
#
# 35 GLU HA 35 GLU QG 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 541, 542,
 &end
#
# 35 GLU HN 35 GLU QG 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 541, 542,
 &end
#
# 36 LYS HA 36 LYS HG2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 556, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 36 LYS HA 36 LYS HG3 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 557, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 36 LYS HA 36 LYS QD 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 559, 560,
 &end
#
# 36 LYS HA 36 LYS QG 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 556, 557,
 &end
#
# 36 LYS HA 37 PRO HD2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 572, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 36 LYS HA 37 PRO HD3 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 573, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 36 LYS HA 37 PRO QG 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 575, 576,
 &end
#
# 36 LYS HA 38 TYR HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 585, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 36 LYS HA 48 ALA HA 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 734, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 36 LYS HA 48 ALA QB 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 736, 737, 738,
 &end
#
# 36 LYS HN 39 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 619, 620,
 &end
#
# 36 LYS HN 46 ALA QB 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 715, 716, 717,
 &end
#
# 36 LYS QB 36 LYS QD 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 553, 554,
 igr2= 559, 560,
 &end
#
# 36 LYS QB 46 ALA QB 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 553, 554,
 igr2= 715, 716, 717,
 &end
#
# 36 LYS QB 47 SER HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 553, 554,
 &end
#
# 36 LYS QG 37 PRO HD2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 556, 557,
 &end
#
# 36 LYS QG 37 PRO HD3 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 556, 557,
 &end
#
# 36 LYS QG 47 SER HA 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 556, 557,
 &end
#
# 36 LYS QG 48 ALA QB 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 556, 557,
 igr2= 736, 737, 738,
 &end
#
# 37 PRO HA 38 TYR HA 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 37 PRO HA 39 LYS QE 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 619, 620,
 &end
#
# 37 PRO HB2 38 TYR HA 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 587, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 37 PRO HB2 38 TYR HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 585, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 37 PRO HB3 38 TYR HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 PRO HB3 38 TYR HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 585, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 37 PRO HB3 38 TYR QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 593, 602,
 &end
#
# 37 PRO HB3 48 ALA HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 PRO HD2 38 TYR HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 585, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 37 PRO HD2 38 TYR QB 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 589, 590,
 &end
#
# 37 PRO HD2 38 TYR QD 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 593, 602,
 &end
#
# 37 PRO HD2 38 TYR QE 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 595, 600,
 &end
#
# 37 PRO HD2 48 ALA HA 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 734, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 37 PRO HD2 48 ALA QB 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 736, 737, 738,
 &end
#
# 37 PRO HD3 38 TYR HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 37 PRO HD3 48 ALA HA 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 734, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 37 PRO HD3 48 ALA QB 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 736, 737, 738,
 &end
#
# 37 PRO HG2 38 TYR HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 585, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 37 PRO HG2 38 TYR QE 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 595, 600,
 &end
#
# 37 PRO HG2 48 ALA HA 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 734, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 37 PRO HG3 38 TYR HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 585, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 37 PRO HG3 38 TYR QE 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 595, 600,
 &end
#
# 37 PRO HG3 48 ALA HA 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 734, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 37 PRO QG 38 TYR HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 575, 576,
 &end
#
# 37 PRO QG 38 TYR QB 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 575, 576,
 igr2= 589, 590,
 &end
#
# 37 PRO QG 38 TYR QD 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 575, 576,
 igr2= 593, 602,
 &end
#
# 37 PRO QG 38 TYR QE 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 575, 576,
 igr2= 595, 600,
 &end
#
# 37 PRO QG 48 ALA HA 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 575, 576,
 &end
#
# 38 TYR HA 38 TYR QD 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 593, 602,
 &end
#
# 38 TYR HA 38 TYR QE 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 595, 600,
 &end
#
# 38 TYR HA 39 LYS HN 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 38 TYR HA 53 LEU QQD 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 38 TYR HN 38 TYR QB 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 589, 590,
 &end
#
# 38 TYR HN 38 TYR QD 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 593, 602,
 &end
#
# 38 TYR HN 38 TYR QE 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 595, 600,
 &end
#
# 38 TYR HN 39 LYS HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 38 TYR HN 47 SER HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 721, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 38 TYR HN 53 LEU QQD 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 38 TYR QB 39 LYS HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 589, 590,
 &end
#
# 38 TYR QB 46 ALA QB 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 589, 590,
 igr2= 715, 716, 717,
 &end
#
# 38 TYR QB 47 SER HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 589, 590,
 &end
#
# 38 TYR QB 47 SER QB 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 589, 590,
 igr2= 725, 726,
 &end
#
# 38 TYR QB 53 LEU HB2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 589, 590,
 &end
#
# 38 TYR QB 53 LEU HB3 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 812, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 589, 590,
 &end
#
# 38 TYR QB 53 LEU HG 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 589, 590,
 &end
#
# 38 TYR QB 53 LEU QD1 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 589, 590,
 igr2= 816, 817, 818,
 &end
#
# 38 TYR QB 53 LEU QD2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 589, 590,
 igr2= 820, 821, 822,
 &end
#
# 38 TYR QB 53 LEU QQD 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 589, 590,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 38 TYR QD 39 LYS HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 593, 602,
 &end
#
# 38 TYR QD 47 SER QB 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 593, 602,
 igr2= 725, 726,
 &end
#
# 38 TYR QD 48 ALA HA 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 593, 602,
 &end
#
# 38 TYR QD 48 ALA QB 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 593, 602,
 igr2= 736, 737, 738,
 &end
#
# 38 TYR QD 49 ILE HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 593, 602,
 &end
#
# 38 TYR QD 50 LYS HA 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 593, 602,
 &end
#
# 38 TYR QD 50 LYS HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 593, 602,
 &end
#
# 38 TYR QD 50 LYS HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 593, 602,
 &end
#
# 38 TYR QD 50 LYS QB 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 593, 602,
 igr2= 765, 766,
 &end
#
# 38 TYR QD 50 LYS QE 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 593, 602,
 igr2= 774, 775,
 &end
#
# 38 TYR QD 50 LYS QG 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 593, 602,
 igr2= 768, 769,
 &end
#
# 38 TYR QD 53 LEU QQD 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 593, 602,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 38 TYR QE 48 ALA HA 5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 595, 600,
 &end
#
# 38 TYR QE 48 ALA QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 595, 600,
 igr2= 736, 737, 738,
 &end
#
# 38 TYR QE 49 ILE HA 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 595, 600,
 &end
#
# 38 TYR QE 50 LYS HA 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 595, 600,
 &end
#
# 38 TYR QE 50 LYS HD2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 595, 600,
 &end
#
# 38 TYR QE 50 LYS HD3 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 595, 600,
 &end
#
# 38 TYR QE 50 LYS HG2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 595, 600,
 &end
#
# 38 TYR QE 50 LYS HG3 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 595, 600,
 &end
#
# 38 TYR QE 50 LYS QB 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 595, 600,
 igr2= 765, 766,
 &end
#
# 38 TYR QE 50 LYS QD 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 595, 600,
 igr2= 771, 772,
 &end
#
# 38 TYR QE 50 LYS QE 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 595, 600,
 igr2= 774, 775,
 &end
#
# 38 TYR QE 50 LYS QG 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 595, 600,
 igr2= 768, 769,
 &end
#
# 38 TYR QE 53 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1= 595, 600,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 39 LYS HA 39 LYS HD2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 616, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 39 LYS HA 39 LYS HD3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 617, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 39 LYS HA 39 LYS HG2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 613, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 39 LYS HA 39 LYS HG3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 614, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 39 LYS HA 39 LYS QE 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 619, 620,
 &end
#
# 39 LYS HA 40 CYM  HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 628, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 39 LYS HA 45 TYR QD 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 698, 707,
 &end
#
# 39 LYS HA 46 ALA QB 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS HA 47 SER HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 721, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 39 LYS HB2 40 CYM  HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 628, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 39 LYS HB2 46 ALA QB 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS HB3 40 CYM  HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 628, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 39 LYS HB3 46 ALA QB 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS HG2 40 CYM  HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 628, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 39 LYS HG2 46 ALA QB 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS HG3 40 CYM  HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 628, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 39 LYS HG3 46 ALA QB 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS HN 39 LYS HB2 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 610, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 39 LYS HN 39 LYS HB3 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 611, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 39 LYS HN 39 LYS HG2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 613, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 39 LYS HN 39 LYS HG3 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 614, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 39 LYS HN 39 LYS QB 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 610, 611,
 &end
#
# 39 LYS HN 39 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 619, 620,
 &end
#
# 39 LYS HN 39 LYS QG 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 613, 614,
 &end
#
# 39 LYS HN 40 CYM  HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 628, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 39 LYS HN 46 ALA QB 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS HN 53 LEU QQD 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 39 LYS QB 39 LYS QE 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 610, 611,
 igr2= 619, 620,
 &end
#
# 39 LYS QB 40 CYM  HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 610, 611,
 &end
#
# 39 LYS QB 46 ALA QB 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 610, 611,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS QD 40 CYM  HN 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 616, 617,
 &end
#
# 39 LYS QD 46 ALA QB 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 616, 617,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS QE 46 ALA QB 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 619, 620,
 igr2= 715, 716, 717,
 &end
#
# 39 LYS QG 39 LYS QE 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 613, 614,
 igr2= 619, 620,
 &end
#
# 39 LYS QG 40 CYM  HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 613, 614,
 &end
#
# 40 CYM  HA 41 PRO HD2 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 639, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 40 CYM  HA 41 PRO HD3 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 40 CYM  HA 41 PRO QD 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 639, 640,
 &end
#
# 40 CYM  HA 43 CYM  HN 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 669, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 40 CYM  HA 45 TYR QD 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 698, 707,
 &end
#
# 40 CYM  HA 53 LEU QD1 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 816, 817, 818,
 &end
#
# 40 CYM  HA 53 LEU QD2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 820, 821, 822,
 &end
#
# 40 CYM  HA 53 LEU QQD 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 40 CYM  HA 57 LEU QD1 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 882, 883, 884,
 &end
#
# 40 CYM  HA 57 LEU QD2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 886, 887, 888,
 &end
#
# 40 CYM  HB2 41 PRO QD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 639, 640,
 &end
#
# 40 CYM  HB2 43 CYM  HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 669, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 40 CYM  HB2 45 TYR HB2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 694, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 40 CYM  HB2 45 TYR HB3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 40 CYM  HB2 45 TYR HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 690, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 40 CYM  HB2 45 TYR QD 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 698, 707,
 &end
#
# 40 CYM  HB2 53 LEU QQD 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 40 CYM  HB2 56 HIS HD2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 869, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 40 CYM  HB2 57 LEU QD2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 886, 887, 888,
 &end
#
# 40 CYM  HB3 41 PRO QD 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 639, 640,
 &end
#
# 40 CYM  HB3 42 GLN HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 652, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 40 CYM  HB3 43 CYM  HN 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 669, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 40 CYM  HB3 44 SER HA 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 681, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 40 CYM  HB3 45 TYR HB2 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 694, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 40 CYM  HB3 45 TYR HB3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 40 CYM  HB3 45 TYR HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 690, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 40 CYM  HB3 45 TYR QD 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 698, 707,
 &end
#
# 40 CYM  HB3 53 LEU QQD 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 40 CYM  HB3 56 HIS HD2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 869, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 40 CYM  HN 40 CYM  HB2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 40 CYM  HN 40 CYM  HB3 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 40 CYM  HN 43 CYM  HN 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 669, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 40 CYM  HN 45 TYR HB3 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 695, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 40 CYM  HN 45 TYR QD 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 698, 707,
 &end
#
# 40 CYM  HN 46 ALA HA 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 713, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 40 CYM  HN 46 ALA QB 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 715, 716, 717,
 &end
#
# 40 CYM  HN 53 LEU QD1 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 816, 817, 818,
 &end
#
# 40 CYM  HN 53 LEU QD2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 820, 821, 822,
 &end
#
# 40 CYM  HN 53 LEU QQD 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 41 PRO HB2 42 GLN QG 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 659, 660,
 &end
#
# 41 PRO HB3 42 GLN QG 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 646,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 659, 660,
 &end
#
# 41 PRO HD2 57 LEU QD1 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 882, 883, 884,
 &end
#
# 41 PRO HD2 57 LEU QD2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 886, 887, 888,
 &end
#
# 41 PRO HD3 57 LEU QD1 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 882, 883, 884,
 &end
#
# 41 PRO HD3 57 LEU QD2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 886, 887, 888,
 &end
#
# 41 PRO QD 42 GLN HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 639, 640,
 &end
#
# 41 PRO QD 53 LEU QQD 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 639, 640,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 41 PRO QD 57 LEU QD1 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 639, 640,
 igr2= 882, 883, 884,
 &end
#
# 41 PRO QD 57 LEU QD2 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 639, 640,
 igr2= 886, 887, 888,
 &end
#
# 41 PRO QG 42 GLN HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 642, 643,
 &end
#
# 41 PRO QG 42 GLN QG 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 642, 643,
 igr2= 659, 660,
 &end
#
# 41 PRO QG 57 LEU QD1 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 642, 643,
 igr2= 882, 883, 884,
 &end
#
# 41 PRO QG 57 LEU QD2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 642, 643,
 igr2= 886, 887, 888,
 &end
#
# 42 GLN HA 42 GLN HG2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 659, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 42 GLN HA 42 GLN HG3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 660, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 42 GLN HB2 43 CYM  HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 669, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 42 GLN HB2 60 HIS HD2 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 951, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 42 GLN HB2 60 HIS HE1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 948, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 42 GLN HB3 43 CYM  HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 669, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 42 GLN HB3 60 HIS HD2 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 951, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 42 GLN HB3 60 HIS HE1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 948, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 42 GLN HN 42 GLN HB2 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 656, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 42 GLN HN 42 GLN HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 42 GLN HN 42 GLN HG2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 42 GLN HN 42 GLN HG3 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 660, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 42 GLN HN 42 GLN QB 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 656, 657,
 &end
#
# 42 GLN HN 42 GLN QG 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 659, 660,
 &end
#
# 42 GLN HN 43 CYM  HN 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 669, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 42 GLN QB 43 CYM  HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 656, 657,
 &end
#
# 42 GLN QB 60 HIS HD2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 656, 657,
 &end
#
# 42 GLN QG 43 CYM  HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 659, 660,
 &end
#
# 43 CYM  HB2 44 SER HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 679, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 43 CYM  HB2 60 HIS HE1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 948, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 43 CYM  HB3 44 SER HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 43 CYM  HB3 60 HIS HE1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 948, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 43 CYM  HN 43 CYM  QB 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 674, 673,
 &end
#
# 43 CYM  HN 45 TYR HB3 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 695, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 43 CYM  HN 45 TYR HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 690, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 43 CYM  QB 44 SER HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 674, 673,
 &end
#
# 43 CYM  QB 60 HIS HE1 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 674, 673,
 &end
#
# 45 TYR HA 45 TYR QD 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 698, 707,
 &end
#
# 45 TYR HA 46 ALA HN 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 711, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 45 TYR HA 46 ALA QB 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 715, 716, 717,
 &end
#
# 45 TYR HB2 46 ALA HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 711, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 45 TYR HB2 56 HIS HE1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 866, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 45 TYR HB3 46 ALA HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 711, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 45 TYR HB3 56 HIS HE1 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 866, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 45 TYR HN 45 TYR HB2 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 45 TYR HN 45 TYR HB3 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 695, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 45 TYR HN 45 TYR QD 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 698, 707,
 &end
#
# 45 TYR HN 46 ALA HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 711, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 45 TYR HN 56 HIS HE1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 TYR QD 46 ALA HA 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 698, 707,
 &end
#
# 45 TYR QD 46 ALA HN 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 698, 707,
 &end
#
# 45 TYR QD 46 ALA QB 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 698, 707,
 igr2= 715, 716, 717,
 &end
#
# 45 TYR QD 47 SER HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 698, 707,
 &end
#
# 45 TYR QD 53 LEU HA 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 698, 707,
 &end
#
# 45 TYR QD 53 LEU QD1 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 698, 707,
 igr2= 816, 817, 818,
 &end
#
# 45 TYR QD 53 LEU QD2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 698, 707,
 igr2= 820, 821, 822,
 &end
#
# 45 TYR QD 53 LEU QQD 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 698, 707,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 45 TYR QD 56 HIS HB2 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 698, 707,
 &end
#
# 45 TYR QD 56 HIS HB3 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 698, 707,
 &end
#
# 45 TYR QD 56 HIS HD2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 698, 707,
 &end
#
# 45 TYR QD 56 HIS HE1 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 698, 707,
 &end
#
# 45 TYR QE 47 SER HB2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 700, 705,
 &end
#
# 45 TYR QE 47 SER HB3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 700, 705,
 &end
#
# 45 TYR QE 47 SER HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 700, 705,
 &end
#
# 45 TYR QE 47 SER QB 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 700, 705,
 igr2= 725, 726,
 &end
#
# 45 TYR QE 53 LEU HA 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 700, 705,
 &end
#
# 45 TYR QE 53 LEU HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 700, 705,
 &end
#
# 45 TYR QE 53 LEU QB 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 700, 705,
 igr2= 811, 812,
 &end
#
# 45 TYR QE 53 LEU QD1 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 700, 705,
 igr2= 816, 817, 818,
 &end
#
# 45 TYR QE 53 LEU QD2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 700, 705,
 igr2= 820, 821, 822,
 &end
#
# 45 TYR QE 53 LEU QQD 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 700, 705,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 45 TYR QE 56 HIS HB2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 700, 705,
 &end
#
# 45 TYR QE 56 HIS HB3 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 700, 705,
 &end
#
# 45 TYR QE 56 HIS HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 700, 705,
 &end
#
# 46 ALA HA 47 SER HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 721, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 46 ALA HA 53 LEU QQD 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 46 ALA HN 46 ALA QB 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 715, 716, 717,
 &end
#
# 46 ALA HN 47 SER HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 721, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 46 ALA QB 47 SER HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 715, 716, 717,
 &end
#
# 47 SER HB2 49 ILE HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 742, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 47 SER HB3 49 ILE HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 742, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 47 SER HN 47 SER HB2 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 725, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 47 SER HN 47 SER HB3 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 726, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 47 SER HN 47 SER QB 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 725, 726,
 &end
#
# 47 SER HN 53 LEU QB 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 811, 812,
 &end
#
# 47 SER HN 53 LEU QQD 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 47 SER QB 49 ILE HB 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 725, 726,
 &end
#
# 47 SER QB 49 ILE HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 725, 726,
 &end
#
# 47 SER QB 49 ILE QG1 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 725, 726,
 igr2= 752, 753,
 &end
#
# 47 SER QB 52 ASN QB 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 725, 726,
 igr2= 797, 798,
 &end
#
# 47 SER QB 53 LEU HA 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 725, 726,
 &end
#
# 47 SER QB 53 LEU HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 725, 726,
 &end
#
# 47 SER QB 53 LEU QB 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 725, 726,
 igr2= 811, 812,
 &end
#
# 47 SER QB 53 LEU QQD 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 725, 726,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 48 ALA QB 49 ILE HA 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 736, 737, 738,
 &end
#
# 48 ALA QB 49 ILE HG12 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 736, 737, 738,
 &end
#
# 48 ALA QB 49 ILE HG13 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 736, 737, 738,
 &end
#
# 48 ALA QB 49 ILE HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 736, 737, 738,
 &end
#
# 48 ALA QB 49 ILE QD1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 736, 737, 738,
 igr2= 755, 756, 757,
 &end
#
# 48 ALA QB 49 ILE QG1 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 736, 737, 738,
 igr2= 752, 753,
 &end
#
# 48 ALA QB 49 ILE QG2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 736, 737, 738,
 igr2= 748, 749, 750,
 &end
#
# 49 ILE HA 49 ILE QD1 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 755, 756, 757,
 &end
#
# 49 ILE HA 49 ILE QG1 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 752, 753,
 &end
#
# 49 ILE HA 49 ILE QG2 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 748, 749, 750,
 &end
#
# 49 ILE HB 49 ILE QD1 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 755, 756, 757,
 &end
#
# 49 ILE HB 52 ASN HB2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 797, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 49 ILE HB 52 ASN HB3 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 798, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 49 ILE HB 52 ASN HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 793, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 49 ILE HB 52 ASN QB 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 797, 798,
 &end
#
# 49 ILE HB 53 LEU HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 807, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 49 ILE HN 49 ILE HB 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 746, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 49 ILE HN 49 ILE HG12 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 752, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 49 ILE HN 49 ILE HG13 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 753, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 49 ILE HN 49 ILE QD1 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 755, 756, 757,
 &end
#
# 49 ILE HN 49 ILE QG2 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 748, 749, 750,
 &end
#
# 49 ILE QD1 50 LYS HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 761, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 755, 756, 757,
 &end
#
# 49 ILE QD1 51 ALA QB 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 755, 756, 757,
 igr2= 787, 788, 789,
 &end
#
# 49 ILE QD1 52 ASN HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 755, 756, 757,
 &end
#
# 49 ILE QG2 49 ILE HG12 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 748, 749, 750,
 &end
#
# 49 ILE QG2 49 ILE HG13 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 748, 749, 750,
 &end
#
# 49 ILE QG2 49 ILE QD1 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 748, 749, 750,
 igr2= 755, 756, 757,
 &end
#
# 49 ILE QG2 51 ALA HA 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 748, 749, 750,
 &end
#
# 49 ILE QG2 51 ALA HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 748, 749, 750,
 &end
#
# 49 ILE QG2 51 ALA QB 3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 748, 749, 750,
 igr2= 787, 788, 789,
 &end
#
# 49 ILE QG2 52 ASN HB2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 748, 749, 750,
 &end
#
# 49 ILE QG2 52 ASN HB3 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 748, 749, 750,
 &end
#
# 49 ILE QG2 52 ASN HN 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 748, 749, 750,
 &end
#
# 49 ILE QG2 52 ASN QB 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 748, 749, 750,
 igr2= 797, 798,
 &end
#
# 49 ILE QG2 53 LEU HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 748, 749, 750,
 &end
#
# 50 LYS HA 50 LYS HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 768, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 50 LYS HA 50 LYS HG3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 769, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 50 LYS HA 50 LYS QD 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 771, 772,
 &end
#
# 50 LYS HA 50 LYS QG 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 768, 769,
 &end
#
# 50 LYS HA 53 LEU HB2 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 811, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 50 LYS HA 53 LEU HB3 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 812, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 50 LYS HA 53 LEU HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 807, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 50 LYS HA 53 LEU QB 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 811, 812,
 &end
#
# 50 LYS HA 53 LEU QQD 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 50 LYS HN 50 LYS QG 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 768, 769,
 &end
#
# 50 LYS QG 50 LYS QE 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 768, 769,
 igr2= 774, 775,
 &end
#
# 51 ALA HA 53 LEU HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 807, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 51 ALA HA 54 ASN HB2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 830, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 51 ALA HA 54 ASN HB3 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 831, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 51 ALA HA 54 ASN HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 826, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 51 ALA HA 54 ASN QB 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 830, 831,
 &end
#
# 51 ALA HA 54 ASN QD2 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 835, 836,
 &end
#
# 51 ALA HA 55 VAL HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 840, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 51 ALA HA 55 VAL QQG 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 846, 847, 848, 850, 851, 852,
 &end
#
# 51 ALA HN 51 ALA QB 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 787, 788, 789,
 &end
#
# 51 ALA QB 52 ASN HA 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 787, 788, 789,
 &end
#
# 51 ALA QB 52 ASN HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 787, 788, 789,
 &end
#
# 51 ALA QB 53 LEU HN 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 787, 788, 789,
 &end
#
# 51 ALA QB 54 ASN QB 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 787, 788, 789,
 igr2= 830, 831,
 &end
#
# 51 ALA QB 55 VAL HN 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 787, 788, 789,
 &end
#
# 51 ALA QB 55 VAL QQG 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 787, 788, 789,
 igr2= 846, 847, 848, 850, 851, 852,
 &end
#
# 52 ASN HA 55 VAL HB 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 844, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 52 ASN HA 55 VAL HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 840, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 52 ASN HA 55 VAL QG1 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 846, 847, 848,
 &end
#
# 52 ASN HA 55 VAL QG2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 850, 851, 852,
 &end
#
# 52 ASN HA 55 VAL QQG 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 846, 847, 848, 850, 851, 852,
 &end
#
# 52 ASN HA 56 HIS HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 856, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 52 ASN HB2 53 LEU HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 807, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 52 ASN HB3 53 LEU HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 807, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 52 ASN HN 52 ASN HB2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 52 ASN HN 52 ASN HB3 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 52 ASN HN 52 ASN QB 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 797, 798,
 &end
#
# 52 ASN HN 53 LEU HN 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 52 ASN HN 54 ASN HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 826, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 52 ASN HN 55 VAL HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 840, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 52 ASN QB 55 VAL QQG 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 797, 798,
 igr2= 846, 847, 848, 850, 851, 852,
 &end
#
# 53 LEU HA 53 LEU QD1 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 816, 817, 818,
 &end
#
# 53 LEU HA 53 LEU QD2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 820, 821, 822,
 &end
#
# 53 LEU HA 53 LEU QQD 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 53 LEU HA 56 HIS HA 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 858, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 53 LEU HA 56 HIS HB2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 860, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 53 LEU HA 56 HIS HB3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 861, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 53 LEU HA 56 HIS HD2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 869, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 53 LEU HA 56 HIS HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 856, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 53 LEU HA 57 LEU HG 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 880, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 53 LEU HA 57 LEU HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 873, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 53 LEU HB2 53 LEU QD1 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 816, 817, 818,
 &end
#
# 53 LEU HB2 53 LEU QD2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 820, 821, 822,
 &end
#
# 53 LEU HB2 54 ASN HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 826, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 53 LEU HB3 53 LEU QD1 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 816, 817, 818,
 &end
#
# 53 LEU HB3 53 LEU QD2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 820, 821, 822,
 &end
#
# 53 LEU HB3 54 ASN HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 826, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 53 LEU HG 54 ASN HA 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 828, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 53 LEU HG 57 LEU HG 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 880, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 53 LEU HG 57 LEU QD1 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 882, 883, 884,
 &end
#
# 53 LEU HG 57 LEU QD2 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 886, 887, 888,
 &end
#
# 53 LEU HN 53 LEU HB2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 811, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 53 LEU HN 53 LEU HB3 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 812, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 53 LEU HN 53 LEU HG 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 814, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 53 LEU HN 53 LEU QD1 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 816, 817, 818,
 &end
#
# 53 LEU HN 53 LEU QD2 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 820, 821, 822,
 &end
#
# 53 LEU HN 53 LEU QQD 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 53 LEU HN 54 ASN HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 826, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 53 LEU HN 54 ASN QB 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 830, 831,
 &end
#
# 53 LEU QB 53 LEU QQD 2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 811, 812,
 igr2= 816, 817, 818, 820, 821, 822,
 &end
#
# 53 LEU QB 54 ASN HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 811, 812,
 &end
#
# 53 LEU QB 57 LEU QD1 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 811, 812,
 igr2= 882, 883, 884,
 &end
#
# 53 LEU QD1 57 LEU HG 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 816, 817, 818,
 &end
#
# 53 LEU QD2 57 LEU HG 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 820, 821, 822,
 &end
#
# 53 LEU QQD 54 ASN HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 816, 817, 818, 820, 821, 822,
 &end
#
# 53 LEU QQD 56 HIS HD2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 816, 817, 818, 820, 821, 822,
 &end
#
# 53 LEU QQD 56 HIS QB 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 816, 817, 818, 820, 821, 822,
 igr2= 860, 861,
 &end
#
# 53 LEU QQD 57 LEU HG 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 816, 817, 818, 820, 821, 822,
 &end
#
# 53 LEU QQD 57 LEU HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 816, 817, 818, 820, 821, 822,
 &end
#
# 53 LEU QQD 60 HIS HD2 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 816, 817, 818, 820, 821, 822,
 &end
#
# 54 ASN HA 57 LEU HB2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 877, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 54 ASN HA 57 LEU HB3 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 878, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 54 ASN HA 57 LEU HG 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 880, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 54 ASN HA 57 LEU HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 873, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 54 ASN HA 57 LEU QD1 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 882, 883, 884,
 &end
#
# 54 ASN HB2 55 VAL HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 840, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 54 ASN HB3 55 VAL HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 54 ASN HN 54 ASN HB2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 54 ASN HN 54 ASN HB3 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 831, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 54 ASN HN 54 ASN QB 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 830, 831,
 &end
#
# 54 ASN HN 55 VAL HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 840, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 54 ASN HN 57 LEU QD1 5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 882, 883, 884,
 &end
#
# 54 ASN QB 55 VAL HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 830, 831,
 &end
#
# 54 ASN QB 55 VAL QQG 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 830, 831,
 igr2= 846, 847, 848, 850, 851, 852,
 &end
#
# 55 VAL HA 55 VAL QG1 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 846, 847, 848,
 &end
#
# 55 VAL HA 55 VAL QG2 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 850, 851, 852,
 &end
#
# 55 VAL HA 58 ARG HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 892, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 55 VAL HA 58 ARG QD 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 902, 903,
 &end
#
# 55 VAL HA 58 ARG QG 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 899, 900,
 &end
#
# 55 VAL HB 56 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 VAL HB 56 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 VAL HB 56 HIS HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 856, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 55 VAL HB 58 ARG QD 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 902, 903,
 &end
#
# 55 VAL HN 55 VAL HB 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 844, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 55 VAL HN 55 VAL QG1 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 846, 847, 848,
 &end
#
# 55 VAL HN 55 VAL QG2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 850, 851, 852,
 &end
#
# 55 VAL HN 55 VAL QQG 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 846, 847, 848, 850, 851, 852,
 &end
#
# 55 VAL HN 56 HIS HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 856, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 55 VAL HN 56 HIS QB 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 860, 861,
 &end
#
# 55 VAL HN 57 LEU HB2 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 877, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 55 VAL HN 57 LEU HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 873, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 55 VAL QG1 56 HIS HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 846, 847, 848,
 &end
#
# 55 VAL QG1 58 ARG QD 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 846, 847, 848,
 igr2= 902, 903,
 &end
#
# 55 VAL QG2 56 HIS HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 850, 851, 852,
 &end
#
# 55 VAL QG2 58 ARG QD 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 850, 851, 852,
 igr2= 902, 903,
 &end
#
# 55 VAL QQG 56 HIS HA 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 846, 847, 848, 850, 851, 852,
 &end
#
# 55 VAL QQG 56 HIS HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 846, 847, 848, 850, 851, 852,
 &end
#
# 55 VAL QQG 58 ARG QD 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 846, 847, 848, 850, 851, 852,
 igr2= 902, 903,
 &end
#
# 55 VAL QQG 59 LYS QE 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 846, 847, 848, 850, 851, 852,
 igr2= 929, 930,
 &end
#
# 56 HIS HA 59 LYS HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 916, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 56 HIS HA 59 LYS QB 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 920, 921,
 &end
#
# 56 HIS HA 59 LYS QD 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 926, 927,
 &end
#
# 56 HIS HA 59 LYS QG 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 923, 924,
 &end
#
# 56 HIS HA 60 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 HIS HB2 57 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 HIS HB2 57 LEU HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 873, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 56 HIS HB3 57 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 HIS HB3 57 LEU HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 56 HIS HD2 57 LEU HA 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 875, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 56 HIS HD2 57 LEU HG 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 880, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 56 HIS HD2 57 LEU HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 873, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 56 HIS HD2 57 LEU QD2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 886, 887, 888,
 &end
#
# 56 HIS HD2 60 HIS HD2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 951, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 56 HIS HE1 59 LYS QB 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 920, 921,
 &end
#
# 56 HIS HE1 59 LYS QD 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 926, 927,
 &end
#
# 56 HIS HE1 59 LYS QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 924,
 &end
#
# 56 HIS HN 56 HIS HB2 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 860, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 56 HIS HN 56 HIS HB3 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 861, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 56 HIS HN 57 LEU HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 873, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 56 HIS QB 57 LEU HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 860, 861,
 &end
#
# 57 LEU HA 57 LEU HG 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 880, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 57 LEU HA 57 LEU QD1 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 882, 883, 884,
 &end
#
# 57 LEU HA 57 LEU QD2 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 886, 887, 888,
 &end
#
# 57 LEU HA 59 LYS HN 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 916, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 57 LEU HA 60 HIS HD2 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 951, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 57 LEU HA 60 HIS HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 938, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 57 LEU HA 60 HIS QB 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 942, 943,
 &end
#
# 57 LEU HB2 57 LEU QD1 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 882, 883, 884,
 &end
#
# 57 LEU HB2 57 LEU QD2 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 886, 887, 888,
 &end
#
# 57 LEU HB2 58 ARG HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 892, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 57 LEU HB2 58 ARG QB 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 896, 897,
 &end
#
# 57 LEU HB2 60 HIS HD2 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 951, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 57 LEU HB3 57 LEU QD1 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 882, 883, 884,
 &end
#
# 57 LEU HB3 57 LEU QD2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 886, 887, 888,
 &end
#
# 57 LEU HB3 58 ARG HA 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 894, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 57 LEU HB3 58 ARG HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 892, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 57 LEU HB3 60 HIS HD2 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 951, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 57 LEU HG 58 ARG HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 892, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 57 LEU HG 60 HIS HD2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 951, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 57 LEU HN 57 LEU HB2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 877, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 57 LEU HN 57 LEU HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 57 LEU HN 57 LEU HG 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 LEU HN 57 LEU QD1 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 882, 883, 884,
 &end
#
# 57 LEU HN 57 LEU QD2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 886, 887, 888,
 &end
#
# 57 LEU HN 58 ARG HN 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 892, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 57 LEU HN 58 ARG QB 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 896, 897,
 &end
#
# 57 LEU QD1 58 ARG HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 882, 883, 884,
 &end
#
# 57 LEU QD1 60 HIS HD2 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 882, 883, 884,
 &end
#
# 57 LEU QD2 60 HIS HB2 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 886, 887, 888,
 &end
#
# 57 LEU QD2 60 HIS HB3 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 886, 887, 888,
 &end
#
# 57 LEU QD2 60 HIS HD2 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 886, 887, 888,
 &end
#
# 57 LEU QD2 60 HIS HN 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 886, 887, 888,
 &end
#
# 57 LEU QD2 60 HIS QB 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 886, 887, 888,
 igr2= 942, 943,
 &end
#
# 58 ARG HA 58 ARG QD 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 902, 903,
 &end
#
# 58 ARG HA 58 ARG QG 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 899, 900,
 &end
#
# 58 ARG HA 60 HIS HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 938, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 58 ARG HA 61 THR QG2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 961, 962, 963,
 &end
#
# 58 ARG HB2 58 ARG QD 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 902, 903,
 &end
#
# 58 ARG HB2 59 LYS HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 916, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 58 ARG HB3 58 ARG QD 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 902, 903,
 &end
#
# 58 ARG HB3 59 LYS HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 897, 916, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 58 ARG HN 58 ARG HB2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 896, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 58 ARG HN 58 ARG HB3 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 897, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 58 ARG HN 58 ARG HG2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 899, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 58 ARG HN 58 ARG HG3 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 900, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 58 ARG HN 58 ARG QB 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 896, 897,
 &end
#
# 58 ARG HN 58 ARG QD 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 902, 903,
 &end
#
# 58 ARG HN 58 ARG QG 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 899, 900,
 &end
#
# 58 ARG HN 59 LYS HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 916, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 58 ARG HN 59 LYS QB 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 920, 921,
 &end
#
# 58 ARG QB 58 ARG QD 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 896, 897,
 igr2= 902, 903,
 &end
#
# 58 ARG QB 61 THR QG2 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 896, 897,
 igr2= 961, 962, 963,
 &end
#
# 59 LYS HA 59 LYS QD 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 926, 927,
 &end
#
# 59 LYS HA 59 LYS QG 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 923, 924,
 &end
#
# 59 LYS HA 61 THR QG2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 961, 962, 963,
 &end
#
# 59 LYS HN 59 LYS QB 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 920, 921,
 &end
#
# 59 LYS HN 59 LYS QD 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 926, 927,
 &end
#
# 59 LYS HN 59 LYS QG 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 923, 924,
 &end
#
# 59 LYS HN 60 HIS HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 938, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 59 LYS QB 59 LYS QE 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 920, 921,
 igr2= 929, 930,
 &end
#
# 59 LYS QB 60 HIS HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 920, 921,
 &end
#
# 59 LYS QG 59 LYS QE 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 923, 924,
 igr2= 929, 930,
 &end
#
# 59 LYS QG 60 HIS HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 923, 924,
 &end
#
# 60 HIS HB2 61 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
# 60 HIS HB3 61 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
# 60 HIS HN 60 HIS HB2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 942, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 60 HIS HN 60 HIS HB3 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 943, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 60 HIS HN 60 HIS HD2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 951, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 60 HIS HN 60 HIS QB 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 942, 943,
 &end
#
# 60 HIS HN 61 THR HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 955, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 60 HIS HN 61 THR QG2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 961, 962, 963,
 &end
#
# 60 HIS QB 60 HIS HD2 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 942, 943,
 &end
#
# 60 HIS QB 61 THR QG2 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 942, 943,
 igr2= 961, 962, 963,
 &end
#
# 61 THR HA 61 THR QG2 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 961, 962, 963,
 &end
#
# 61 THR HN 61 THR QG2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 961, 962, 963,
 &end
#
# 62 GLY QA 63 GLU QB 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 971, 972,
 igr2= 980, 981,
 &end
#
# 63 GLU HA 63 GLU HG2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 983, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 63 GLU HA 63 GLU HG3 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 984, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 63 GLU HA 63 GLU QG 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 983, 984,
 &end
#
# 63 GLU HA 64 LYS HA 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 993, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 63 GLU HA 64 LYS HN 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 991, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 63 GLU HA 64 LYS QB 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 995, 996,
 &end
#
# 63 GLU HG2 64 LYS HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 991, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 63 GLU HG3 64 LYS HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 991, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 63 GLU HN 63 GLU HG2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 983, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 63 GLU HN 63 GLU HG3 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 984, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 63 GLU HN 63 GLU QB 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 980, 981,
 &end
#
# 63 GLU HN 64 LYS HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 991, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 63 GLU QB 64 LYS HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 980, 981,
 &end
#
# 63 GLU QB 65 PHE HZ 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 980, 981,
 &end
#
# 63 GLU QB 65 PHE QE 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 980, 981,
 igr2=1023,1027,
 &end
#
# 64 LYS HA 64 LYS QD 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1001,1002,
 &end
#
# 64 LYS HA 64 LYS QE 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1004,1005,
 &end
#
# 64 LYS HA 65 PHE HB2 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1017, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 64 LYS HA 65 PHE HN 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1013, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 64 LYS HA 65 PHE QD 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1021,1029,
 &end
#
# 64 LYS HA 74 CYS HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1141, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 64 LYS HA 75 LEU QQD 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1161,1162,1163,1165,1166,1167,
 &end
#
# 64 LYS HG2 65 PHE HN 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 64 LYS HG3 65 PHE HN 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1013, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 64 LYS HN 64 LYS HG2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 991, 998, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 64 LYS HN 64 LYS HG3 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 991, 999, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 64 LYS HN 64 LYS QB 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 995, 996,
 &end
#
# 64 LYS HN 65 PHE HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 991,1013, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 64 LYS QB 64 LYS QE 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 995, 996,
 igr2=1004,1005,
 &end
#
# 64 LYS QB 65 PHE HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 995, 996,
 &end
#
# 64 LYS QB 65 PHE QD 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 995, 996,
 igr2=1021,1029,
 &end
#
# 64 LYS QB 73 THR HB 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 995, 996,
 &end
#
# 64 LYS QB 73 THR QG2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 995, 996,
 igr2=1133,1134,1135,
 &end
#
# 64 LYS QB 74 CYS HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 995, 996,
 &end
#
# 64 LYS QB 75 LEU QQD 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 995, 996,
 igr2=1161,1162,1163,1165,1166,1167,
 &end
#
# 64 LYS QD 73 THR HB 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1001,1002,
 &end
#
# 64 LYS QD 73 THR QG2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1001,1002,
 igr2=1133,1134,1135,
 &end
#
# 64 LYS QD 75 LEU QQD 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1001,1002,
 igr2=1161,1162,1163,1165,1166,1167,
 &end
#
# 64 LYS QE 73 THR HB 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1004,1005,
 &end
#
# 64 LYS QE 73 THR QG2 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1004,1005,
 igr2=1133,1134,1135,
 &end
#
# 64 LYS QE 75 LEU QQD 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1004,1005,
 igr2=1161,1162,1163,1165,1166,1167,
 &end
#
# 64 LYS QG 65 PHE HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 998, 999,
 &end
#
# 64 LYS QG 73 THR HB 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 998, 999,
 &end
#
# 64 LYS QG 75 LEU QQD 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 998, 999,
 igr2=1161,1162,1163,1165,1166,1167,
 &end
#
# 65 PHE HA 65 PHE QD 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1021,1029,
 &end
#
# 65 PHE HA 65 PHE QE 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1023,1027,
 &end
#
# 65 PHE HA 66 ALA HN 2.88
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1033, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 65 PHE HA 66 ALA QB 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1037,1038,1039,
 &end
#
# 65 PHE HA 80 LEU QQD 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 65 PHE HB2 80 LEU HB2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1232, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 65 PHE HB2 80 LEU HB3 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1233, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 65 PHE HB2 80 LEU QB 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1232,1233,
 &end
#
# 65 PHE HB2 80 LEU QQD 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 65 PHE HB3 66 ALA HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1033, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 65 PHE HB3 66 ALA QB 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1037,1038,1039,
 &end
#
# 65 PHE HB3 80 LEU HB2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1232, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 65 PHE HB3 80 LEU HB3 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 65 PHE HB3 80 LEU QB 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1232,1233,
 &end
#
# 65 PHE HN 65 PHE HB2 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1017, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 65 PHE HN 65 PHE HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1018, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 65 PHE HN 65 PHE QD 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1021,1029,
 &end
#
# 65 PHE HN 65 PHE QE 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1023,1027,
 &end
#
# 65 PHE HZ 77 LYS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1186,1187,
 &end
#
# 65 PHE HZ 77 LYS QG 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1189,1190,
 &end
#
# 65 PHE QD 65 PHE HZ 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1021,1029,
 &end
#
# 65 PHE QD 66 ALA HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1021,1029,
 &end
#
# 65 PHE QD 75 LEU HA 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1021,1029,
 &end
#
# 65 PHE QD 76 SER HA 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1021,1029,
 &end
#
# 65 PHE QD 76 SER HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1021,1029,
 &end
#
# 65 PHE QD 77 LYS HA 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1021,1029,
 &end
#
# 65 PHE QD 77 LYS HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1021,1029,
 &end
#
# 65 PHE QD 80 LEU QQD 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1021,1029,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 65 PHE QE 75 LEU HA 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1023,1027,
 &end
#
# 65 PHE QE 76 SER HA 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1023,1027,
 &end
#
# 65 PHE QE 77 LYS HA 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1023,1027,
 &end
#
# 65 PHE QE 77 LYS HN 5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1023,1027,
 &end
#
# 65 PHE QE 77 LYS QB 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1023,1027,
 igr2=1186,1187,
 &end
#
# 65 PHE QE 77 LYS QG 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1023,1027,
 igr2=1189,1190,
 &end
#
# 66 ALA HA 67 CYM  HA 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1045, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 66 ALA HA 67 CYM  HB2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1048, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 66 ALA HA 67 CYM  HB3 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 66 ALA HA 67 CYM  HN 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1043, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 66 ALA HA 73 THR HB 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1131, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 66 ALA HA 73 THR QG2 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1133,1134,1135,
 &end
#
# 66 ALA HA 80 LEU QQD 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 66 ALA HN 66 ALA QB 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1037,1038,1039,
 &end
#
# 66 ALA HN 73 THR QG2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1133,1134,1135,
 &end
#
# 66 ALA HN 80 LEU QQD 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 66 ALA QB 67 CYM  HA 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1037,1038,1039,
 &end
#
# 66 ALA QB 67 CYM  HB3 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1037,1038,1039,
 &end
#
# 66 ALA QB 67 CYM  HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1037,1038,1039,
 &end
#
# 66 ALA QB 73 THR HA 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1037,1038,1039,
 &end
#
# 66 ALA QB 73 THR HB 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1037,1038,1039,
 &end
#
# 66 ALA QB 73 THR QG2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1037,1038,1039,
 igr2=1133,1134,1135,
 &end
#
# 67 CYM  HA 68 ASP HN 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1053, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 67 CYM  HA 68 ASP QB 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1057,1058,
 &end
#
# 67 CYM  HA 69 TYR HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1065, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 67 CYM  HA 80 LEU QD1 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1237,1238,1239,
 &end
#
# 67 CYM  HA 80 LEU QD2 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1241,1242,1243,
 &end
#
# 67 CYM  HA 80 LEU QQD 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 67 CYM  HA 84 ILE HG12 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 CYM  HA 84 ILE QD1 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1315,1316,1317,
 &end
#
# 67 CYM  HB2 68 ASP HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1053, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 67 CYM  HB2 70 CYM  HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1086, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 67 CYM  HB2 72 PHE HB2 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1111, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 67 CYM  HB2 72 PHE HB3 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1112, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 67 CYM  HB2 72 PHE HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1107, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 67 CYM  HB2 72 PHE QD 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1115,1123,
 &end
#
# 67 CYM  HB2 80 LEU QQD 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 67 CYM  HB2 83 HIS HD2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1298, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 67 CYM  HB3 68 ASP HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1053, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 67 CYM  HB3 69 TYR HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1065, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 67 CYM  HB3 69 TYR QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1073,1082,
 &end
#
# 67 CYM  HB3 70 CYM  HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1086, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 67 CYM  HB3 72 PHE HB2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1111, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 67 CYM  HB3 72 PHE HB3 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1112, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 67 CYM  HB3 72 PHE HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1107, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 67 CYM  HB3 72 PHE QD 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1115,1123,
 &end
#
# 67 CYM  HB3 80 LEU QQD 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 67 CYM  HB3 83 HIS HD2 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1298, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 67 CYM  HN 67 CYM  HB2 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1048, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 67 CYM  HN 67 CYM  HB3 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 67 CYM  HN 72 PHE HB3 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1112, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 67 CYM  HN 72 PHE QD 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1115,1123,
 &end
#
# 67 CYM  HN 73 THR HA 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1129, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 67 CYM  HN 73 THR QG2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1133,1134,1135,
 &end
#
# 67 CYM  HN 80 LEU QQD 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 68 ASP HN 68 ASP HB2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1057, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 68 ASP HN 68 ASP HB3 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1058, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 68 ASP HN 68 ASP QB 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1057,1058,
 &end
#
# 68 ASP HN 69 TYR HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1065, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 68 ASP HN 69 TYR QD 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1073,1082,
 &end
#
# 68 ASP HN 80 LEU QQD 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 68 ASP HN 84 ILE QD1 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1315,1316,1317,
 &end
#
# 68 ASP HN 84 ILE QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1308,1309,1310,
 &end
#
# 68 ASP QB 69 TYR HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1057,1058,
 &end
#
# 68 ASP QB 69 TYR QD 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1057,1058,
 igr2=1073,1082,
 &end
#
# 68 ASP QB 69 TYR QE 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1057,1058,
 igr2=1075,1080,
 &end
#
# 69 TYR HA 69 TYR QD 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1073,1082,
 &end
#
# 69 TYR HA 69 TYR QE 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1075,1080,
 &end
#
# 69 TYR HB2 70 CYM  HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1086, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 69 TYR HB2 88 HIS HE1 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1386, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 69 TYR HB3 70 CYM  HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1086, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 69 TYR HB3 88 HIS HE1 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1386, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 69 TYR HN 69 TYR HB2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1069, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 69 TYR HN 69 TYR HB3 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1070, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 69 TYR HN 69 TYR QB 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1069,1070,
 &end
#
# 69 TYR HN 69 TYR QD 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1073,1082,
 &end
#
# 69 TYR HN 70 CYM  HN 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1086, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 69 TYR QB 70 CYM  HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1069,1070,
 &end
#
# 69 TYR QB 84 ILE QG2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1069,1070,
 igr2=1308,1309,1310,
 &end
#
# 69 TYR QB 88 HIS HD2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1069,1070,
 &end
#
# 69 TYR QD 70 CYM  HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1073,1082,
 &end
#
# 69 TYR QD 84 ILE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1073,1082,
 &end
#
# 69 TYR QD 84 ILE QD1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1073,1082,
 igr2=1315,1316,1317,
 &end
#
# 69 TYR QD 84 ILE QG2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1073,1082,
 igr2=1308,1309,1310,
 &end
#
# 69 TYR QD 88 HIS HB2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1073,1082,
 &end
#
# 69 TYR QD 88 HIS HB3 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1073,1082,
 &end
#
# 69 TYR QD 88 HIS HD2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1073,1082,
 &end
#
# 69 TYR QE 84 ILE QD1 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1075,1080,
 igr2=1315,1316,1317,
 &end
#
# 69 TYR QE 84 ILE QG2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1075,1080,
 igr2=1308,1309,1310,
 &end
#
# 70 CYM  HA 88 HIS HE1 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1386, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 70 CYM  HB2 71 SER HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 70 CYM  HB3 71 SER HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1090,1096, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 70 CYM  QB 71 SER HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1091,1090,
 &end
#
# 70 CYM  QB 88 HIS HE1 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1091,1090,
 &end
#
# 72 PHE HA 72 PHE QD 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1115,1123,
 &end
#
# 72 PHE HA 73 THR HN 2.78
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1127, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 72 PHE HA 73 THR QG2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1133,1134,1135,
 &end
#
# 72 PHE HB2 73 THR HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1127, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 72 PHE HB2 83 HIS HE1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1295, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 72 PHE HB3 73 THR HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 PHE HB3 83 HIS HD2 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1298, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 72 PHE HB3 83 HIS HE1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1295, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 72 PHE HN 72 PHE HB2 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1111, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 72 PHE HN 72 PHE HB3 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1112, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 72 PHE HN 72 PHE QD 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1115,1123,
 &end
#
# 72 PHE HN 73 THR HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1107,1127, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 72 PHE HZ 74 CYS HB2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1145, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 72 PHE HZ 74 CYS HB3 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1146, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 72 PHE HZ 74 CYS QB 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1145,1146,
 &end
#
# 72 PHE HZ 83 HIS HB2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1289, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 72 PHE QD 73 THR HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1115,1123,
 &end
#
# 72 PHE QD 80 LEU QQD 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1115,1123,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 72 PHE QD 83 HIS HB3 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1115,1123,
 &end
#
# 72 PHE QD 83 HIS HE1 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1115,1123,
 &end
#
# 72 PHE QE 74 CYS HB2 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1117,1121,
 &end
#
# 72 PHE QE 74 CYS HB3 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1117,1121,
 &end
#
# 72 PHE QE 74 CYS QB 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1117,1121,
 igr2=1145,1146,
 &end
#
# 72 PHE QE 80 LEU HA 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1117,1121,
 &end
#
# 72 PHE QE 80 LEU QQD 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=1117,1121,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 72 PHE QE 83 HIS HB2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1117,1121,
 &end
#
# 73 THR HA 73 THR QG2 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1133,1134,1135,
 &end
#
# 73 THR HA 74 CYS HN 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1141, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 73 THR HA 80 LEU QQD 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 73 THR HB 74 CYS HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1131,1141, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 73 THR HB 75 LEU QQD 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1161,1162,1163,1165,1166,1167,
 &end
#
# 73 THR HN 73 THR QG2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1133,1134,1135,
 &end
#
# 73 THR HN 74 CYS HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1141, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 73 THR QG2 74 CYS HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1133,1134,1135,
 &end
#
# 74 CYS HB2 76 SER HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1171, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 74 CYS HB3 76 SER HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1171, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 74 CYS HN 74 CYS QB 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1145,1146,
 &end
#
# 74 CYS QB 76 SER HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1145,1146,
 &end
#
# 74 CYS QB 79 HIS QB 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1145,1146,
 igr2=1215,1216,
 &end
#
# 74 CYS QB 80 LEU HN 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1145,1146,
 &end
#
# 74 CYS QB 80 LEU QB 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1145,1146,
 igr2=1232,1233,
 &end
#
# 75 LEU HA 75 LEU HG 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1159, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 75 LEU HB2 75 LEU QD1 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1161,1162,1163,
 &end
#
# 75 LEU HB2 75 LEU QD2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1165,1166,1167,
 &end
#
# 75 LEU HB2 76 SER HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 75 LEU HB3 75 LEU QD1 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1161,1162,1163,
 &end
#
# 75 LEU HB3 75 LEU QD2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1165,1166,1167,
 &end
#
# 75 LEU HB3 76 SER HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1171, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 75 LEU QB 75 LEU QQD 2.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=1156,1157,
 igr2=1161,1162,1163,1165,1166,1167,
 &end
#
# 76 SER HB2 79 HIS QB 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1215,1216,
 &end
#
# 76 SER HB3 79 HIS QB 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1215,1216,
 &end
#
# 76 SER HN 79 HIS QB 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1215,1216,
 &end
#
# 76 SER QB 79 HIS HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1175,1176,
 &end
#
# 76 SER QB 79 HIS QB 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1175,1176,
 igr2=1215,1216,
 &end
#
# 77 LYS HA 77 LYS QG 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1189,1190,
 &end
#
# 77 LYS HA 80 LEU HB2 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1232, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 77 LYS HA 80 LEU HB3 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1233, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 77 LYS HA 80 LEU HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1228, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 77 LYS HA 80 LEU QB 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1232,1233,
 &end
#
# 77 LYS HA 80 LEU QQD 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 77 LYS HA 81 LYS HN 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1247, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 77 LYS QG 77 LYS QE 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1189,1190,
 igr2=1195,1196,
 &end
#
# 78 GLY HA2 81 LYS HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1247, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 78 GLY HA2 81 LYS QB 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1251,1252,
 &end
#
# 78 GLY HA3 81 LYS HN 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1247, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 78 GLY HA3 81 LYS QB 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1251,1252,
 &end
#
# 79 HIS HA 79 HIS HD2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1224, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 79 HIS HA 82 VAL HB 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1273, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 79 HIS HA 82 VAL HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1269, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 79 HIS HA 82 VAL QG1 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1275,1276,1277,
 &end
#
# 79 HIS HA 82 VAL QG2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1279,1280,1281,
 &end
#
# 79 HIS HA 82 VAL QQG 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
# 79 HIS HN 79 HIS QB 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1215,1216,
 &end
#
# 79 HIS HN 81 LYS HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1247, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 79 HIS QB 80 LEU HN 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1215,1216,
 &end
#
# 79 HIS QB 82 VAL QQG 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1=1215,1216,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
# 80 LEU HA 80 LEU QD1 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1237,1238,1239,
 &end
#
# 80 LEU HA 80 LEU QD2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1241,1242,1243,
 &end
#
# 80 LEU HA 80 LEU QQD 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU HA 83 HIS HB2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1289, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 80 LEU HA 83 HIS HB3 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1290, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 80 LEU HA 83 HIS HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 80 LEU HA 84 ILE HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1302, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 80 LEU HB2 81 LYS HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1247, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 80 LEU HB3 81 LYS HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1247, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 80 LEU HG 81 LYS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1247, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 80 LEU HG 84 ILE HG13 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1313, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 80 LEU HG 84 ILE QD1 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1315,1316,1317,
 &end
#
# 80 LEU HN 80 LEU HB2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1232, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 80 LEU HN 80 LEU HB3 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1233, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 80 LEU HN 80 LEU HG 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 80 LEU HN 80 LEU QD1 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1237,1238,1239,
 &end
#
# 80 LEU HN 80 LEU QD2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1241,1242,1243,
 &end
#
# 80 LEU HN 80 LEU QQD 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU HN 81 LYS HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1247, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 80 LEU HN 81 LYS QB 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1251,1252,
 &end
#
# 80 LEU HN 82 VAL QQG 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
# 80 LEU QB 80 LEU QQD 2.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1232,1233,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU QB 81 LYS HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1232,1233,
 &end
#
# 80 LEU QD1 81 LYS HN 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1237,1238,1239,
 &end
#
# 80 LEU QD2 81 LYS HN 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1241,1242,1243,
 &end
#
# 80 LEU QQD 81 LYS HA 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU QQD 81 LYS HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU QQD 83 HIS HB2 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU QQD 83 HIS HB3 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU QQD 83 HIS HD2 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU QQD 84 ILE HG12 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU QQD 84 ILE HG13 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 80 LEU QQD 84 ILE HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 81 LYS HA 81 LYS HG2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1254, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 81 LYS HA 81 LYS HG3 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1255, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 81 LYS HA 81 LYS QD 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1257,1258,
 &end
#
# 81 LYS HA 81 LYS QG 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1254,1255,
 &end
#
# 81 LYS HA 84 ILE HB 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1306, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 81 LYS HA 84 ILE HG13 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1313, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 81 LYS HA 84 ILE HN 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1302, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 81 LYS HA 84 ILE QD1 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1315,1316,1317,
 &end
#
# 81 LYS HA 84 ILE QG2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1308,1309,1310,
 &end
#
# 81 LYS HG2 81 LYS QE 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1260,1261,
 &end
#
# 81 LYS HG3 81 LYS QE 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1260,1261,
 &end
#
# 81 LYS HN 81 LYS HG2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1254, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 81 LYS HN 81 LYS HG3 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1255, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 81 LYS HN 81 LYS QB 2.98
 &rst
  ixpk= 0, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2=1251,1252,
 &end
#
# 81 LYS HN 81 LYS QG 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1254,1255,
 &end
#
# 81 LYS HN 82 VAL HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1269, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 81 LYS HN 82 VAL QQG 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
# 81 LYS HN 84 ILE QD1 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1315,1316,1317,
 &end
#
# 81 LYS QB 81 LYS HD2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1257, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1251,1252,
 &end
#
# 81 LYS QB 81 LYS HD3 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1251,1252,
 &end
#
# 81 LYS QB 81 LYS QD 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1251,1252,
 igr2=1257,1258,
 &end
#
# 81 LYS QB 81 LYS QE 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1251,1252,
 igr2=1260,1261,
 &end
#
# 81 LYS QB 82 VAL HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1251,1252,
 &end
#
# 81 LYS QB 82 VAL QQG 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1251,1252,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
# 81 LYS QG 81 LYS QE 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1254,1255,
 igr2=1260,1261,
 &end
#
# 81 LYS QG 82 VAL HA 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1254,1255,
 &end
#
# 82 VAL HA 82 VAL QG1 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1275,1276,1277,
 &end
#
# 82 VAL HA 82 VAL QG2 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1279,1280,1281,
 &end
#
# 82 VAL HA 85 GLU HB2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1325, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 82 VAL HA 85 GLU HB3 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1326, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 82 VAL HA 85 GLU HG2 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1328, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 82 VAL HA 85 GLU HG3 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1329, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 82 VAL HA 85 GLU HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1321, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 82 VAL HA 85 GLU QB 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1325,1326,
 &end
#
# 82 VAL HA 85 GLU QG 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1328,1329,
 &end
#
# 82 VAL HA 86 ARG HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1271,1336, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 82 VAL HA 86 ARG QG 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1343,1344,
 &end
#
# 82 VAL HB 83 HIS HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1273,1285, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 82 VAL HN 82 VAL HB 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1269,1273, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 82 VAL HN 82 VAL QG1 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1269,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1275,1276,1277,
 &end
#
# 82 VAL HN 82 VAL QG2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1269,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1279,1280,1281,
 &end
#
# 82 VAL HN 82 VAL QQG 3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1269,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
# 82 VAL HN 83 HIS HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1269,1285, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 82 VAL HN 84 ILE HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1269,1302, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 82 VAL QG1 83 HIS HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1275,1276,1277,
 &end
#
# 82 VAL QG1 85 GLU HB2 6.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1275,1276,1277,
 &end
#
# 82 VAL QG1 85 GLU HB3 6.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1275,1276,1277,
 &end
#
# 82 VAL QG2 83 HIS HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1279,1280,1281,
 &end
#
# 82 VAL QG2 85 GLU HB2 6.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1279,1280,1281,
 &end
#
# 82 VAL QG2 85 GLU HB3 6.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1279,1280,1281,
 &end
#
# 82 VAL QQG 83 HIS HA 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
# 82 VAL QQG 83 HIS HB2 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
# 82 VAL QQG 83 HIS HN 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
# 82 VAL QQG 84 ILE HN 5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
# 82 VAL QQG 85 GLU QB 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1325,1326,
 &end
#
# 82 VAL QQG 86 ARG HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
# 82 VAL QQG 86 ARG QB 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1340,1341,
 &end
#
# 82 VAL QQG 86 ARG QD 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1346,1347,
 &end
#
# 82 VAL QQG 86 ARG QG 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1343,1344,
 &end
#
# 83 HIS HA 86 ARG HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1336, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 83 HIS HA 86 ARG QB 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1340,1341,
 &end
#
# 83 HIS HA 87 VAL HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1360, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 83 HIS HA 87 VAL QQG 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1366,1367,1368,1370,1371,1372,
 &end
#
# 83 HIS HB2 84 ILE HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1289,1302, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 83 HIS HB3 83 HIS HD2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1298, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 83 HIS HB3 84 ILE HG13 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1313, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 83 HIS HB3 84 ILE HN 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1302, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 83 HIS HB3 87 VAL QQG 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1366,1367,1368,1370,1371,1372,
 &end
#
# 83 HIS HD2 84 ILE HA 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1304, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 83 HIS HD2 84 ILE HG12 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1312, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 83 HIS HD2 84 ILE HG13 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 83 HIS HD2 84 ILE HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1302, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 83 HIS HD2 84 ILE QD1 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1315,1316,1317,
 &end
#
# 83 HIS HD2 84 ILE QG2 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1308,1309,1310,
 &end
#
# 83 HIS HD2 88 HIS HD2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1389, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 83 HIS HE1 87 VAL HB 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1364, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 83 HIS HE1 87 VAL QG1 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1366,1367,1368,
 &end
#
# 83 HIS HE1 87 VAL QG2 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1370,1371,1372,
 &end
#
# 83 HIS HN 83 HIS HB2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1289, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 83 HIS HN 83 HIS HB3 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1290, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 83 HIS HN 84 ILE HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1302, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 84 ILE HA 84 ILE HG12 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1312, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 84 ILE HA 84 ILE HG13 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1313, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 84 ILE HA 84 ILE QD1 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1315,1316,1317,
 &end
#
# 84 ILE HA 84 ILE QG2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1308,1309,1310,
 &end
#
# 84 ILE HA 86 ARG HN 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1336, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 84 ILE HA 87 VAL HB 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1364, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 84 ILE HA 87 VAL HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1360, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 84 ILE HA 87 VAL QQG 5.32
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=1366,1367,1368,1370,1371,1372,
 &end
#
# 84 ILE HA 88 HIS HD2 3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1389, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 84 ILE HA 88 HIS HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1376, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 84 ILE HA 88 HIS QB 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1380,1381,
 &end
#
# 84 ILE HB 84 ILE QD1 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1306,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1315,1316,1317,
 &end
#
# 84 ILE HB 85 GLU HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1321, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 84 ILE HG12 88 HIS HD2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1389, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 84 ILE HG13 85 GLU HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1321, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 84 ILE HG13 88 HIS HD2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1389, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 84 ILE HN 84 ILE HB 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1306, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 84 ILE HN 84 ILE HG12 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1312, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 84 ILE HN 84 ILE HG13 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1313, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 84 ILE HN 84 ILE QD1 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1315,1316,1317,
 &end
#
# 84 ILE HN 84 ILE QG2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1308,1309,1310,
 &end
#
# 84 ILE HN 85 GLU HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1321, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 84 ILE HN 86 ARG HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1336, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 84 ILE HN 87 VAL HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1360, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84 ILE HN 88 HIS HD2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1389, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 84 ILE QD1 85 GLU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1315,1316,1317,
 &end
#
# 84 ILE QD1 88 HIS HD2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1315,1316,1317,
 &end
#
# 84 ILE QG2 84 ILE HG12 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 84 ILE HG13 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 84 ILE QD1 2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1308,1309,1310,
 igr2=1315,1316,1317,
 &end
#
# 84 ILE QG2 85 GLU HA 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 85 GLU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 85 GLU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 85 GLU HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 85 GLU QG 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1308,1309,1310,
 igr2=1328,1329,
 &end
#
# 84 ILE QG2 86 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 87 VAL HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 88 HIS HB2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 88 HIS HB3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 88 HIS HD2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 88 HIS HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 88 HIS QB 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1308,1309,1310,
 igr2=1380,1381,
 &end
#
# 84 ILE QG2 89 LYS HN 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1308,1309,1310,
 &end
#
# 84 ILE QG2 89 LYS QB 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1308,1309,1310,
 igr2=1397,1398,
 &end
#
# 84 ILE QG2 89 LYS QE 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1308,1309,1310,
 igr2=1406,1407,
 &end
#
# 84 ILE QG2 89 LYS QG 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1308,1309,1310,
 igr2=1400,1401,
 &end
#
# 85 GLU HA 85 GLU HG2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1328, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 85 GLU HA 85 GLU HG3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1329, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 85 GLU HA 85 GLU QG 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1328,1329,
 &end
#
# 85 GLU HA 89 LYS HA 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1395, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 85 GLU HA 89 LYS HG2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1400, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 85 GLU HA 89 LYS HG3 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1401, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 85 GLU HA 89 LYS HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1393, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 85 GLU HA 89 LYS QB 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1397,1398,
 &end
#
# 85 GLU HA 89 LYS QD 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1403,1404,
 &end
#
# 85 GLU HB2 86 ARG HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1336, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 85 GLU HB3 86 ARG HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1336, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 85 GLU HN 85 GLU HB2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1325, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 85 GLU HN 85 GLU HB3 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1326, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 85 GLU HN 85 GLU HG2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1328, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 85 GLU HN 85 GLU HG3 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1329, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 85 GLU HN 85 GLU QB 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=1325,1326,
 &end
#
# 85 GLU HN 85 GLU QG 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1328,1329,
 &end
#
# 85 GLU HN 86 ARG HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1336, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 85 GLU QB 86 ARG HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1325,1326,
 &end
#
# 85 GLU QB 86 ARG QG 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1325,1326,
 igr2=1343,1344,
 &end
#
# 86 ARG HA 86 ARG QD 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1338,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1346,1347,
 &end
#
# 86 ARG HA 86 ARG QG 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1338,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1343,1344,
 &end
#
# 86 ARG HB2 86 ARG QD 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1340,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1346,1347,
 &end
#
# 86 ARG HB2 87 VAL HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1340,1360, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 86 ARG HB3 86 ARG QD 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1346,1347,
 &end
#
# 86 ARG HB3 87 VAL HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1360, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 86 ARG HN 86 ARG HB2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1340, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 86 ARG HN 86 ARG HB3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1341, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 86 ARG HN 86 ARG HG2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1343, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 86 ARG HN 86 ARG HG3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1344, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 86 ARG HN 86 ARG QB 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1340,1341,
 &end
#
# 86 ARG HN 86 ARG QD 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1346,1347,
 &end
#
# 86 ARG HN 86 ARG QG 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1343,1344,
 &end
#
# 86 ARG HN 89 LYS HN 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1393, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 86 ARG QB 87 VAL HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1340,1341,
 &end
#
# 86 ARG QB 87 VAL QQG 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1340,1341,
 igr2=1366,1367,1368,1370,1371,1372,
 &end
#
# 86 ARG QG 87 VAL QQG 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1=1343,1344,
 igr2=1366,1367,1368,1370,1371,1372,
 &end
#
# 87 VAL HA 87 VAL QG1 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1366,1367,1368,
 &end
#
# 87 VAL HA 87 VAL QG2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1370,1371,1372,
 &end
#
# 87 VAL HA 87 VAL QQG 2.76
 &rst
  ixpk= 0, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1366,1367,1368,1370,1371,1372,
 &end
#
# 87 VAL HB 88 HIS HD2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1389, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 87 VAL HB 88 HIS HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1376, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 87 VAL HN 87 VAL HB 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1364, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 87 VAL HN 87 VAL QG1 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1366,1367,1368,
 &end
#
# 87 VAL HN 87 VAL QG2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1370,1371,1372,
 &end
#
# 87 VAL HN 87 VAL QQG 3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1366,1367,1368,1370,1371,1372,
 &end
#
# 87 VAL HN 88 HIS HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1376, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 87 VAL HN 89 LYS HN 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1393, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 87 VAL QG1 88 HIS HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1366,1367,1368,
 &end
#
# 87 VAL QG2 88 HIS HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1370,1371,1372,
 &end
#
# 87 VAL QQG 88 HIS HD2 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=1366,1367,1368,1370,1371,1372,
 &end
#
# 87 VAL QQG 88 HIS HE1 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1366,1367,1368,1370,1371,1372,
 &end
#
# 87 VAL QQG 88 HIS HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1366,1367,1368,1370,1371,1372,
 &end
#
# 88 HIS HB2 89 LYS HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1393, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 88 HIS HB3 89 LYS HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1393, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 88 HIS HN 88 HIS HB2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1380, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 88 HIS HN 88 HIS HB3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1381, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 88 HIS HN 88 HIS HD2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1389, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 88 HIS HN 88 HIS QB 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1380,1381,
 &end
#
# 88 HIS HN 89 LYS HA 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1395, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 88 HIS HN 89 LYS HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1393, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 88 HIS QB 88 HIS HD2 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1380,1381,
 &end
#
# 88 HIS QB 89 LYS HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1380,1381,
 &end
#
# 89 LYS HA 89 LYS HG2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1400, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 89 LYS HA 89 LYS HG3 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1401, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 89 LYS HA 89 LYS QD 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1403,1404,
 &end
#
# 89 LYS HA 89 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1406,1407,
 &end
#
# 89 LYS HA 89 LYS QG 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1400,1401,
 &end
#
# 89 LYS HN 89 LYS HG2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1400, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 89 LYS HN 89 LYS HG3 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1401, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 89 LYS HN 89 LYS QB 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1397,1398,
 &end
#
# 89 LYS HN 89 LYS QD 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1403,1404,
 &end
#
# 89 LYS HN 89 LYS QG 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1400,1401,
 &end
#
# 89 LYS HN 90 LYS HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1415, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 89 LYS QB 89 LYS QD 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1397,1398,
 igr2=1403,1404,
 &end
#
# 89 LYS QB 89 LYS QE 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1397,1398,
 igr2=1406,1407,
 &end
#
# 89 LYS QG 89 LYS QE 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1400,1401,
 igr2=1406,1407,
 &end
#
# 90 LYS HA 90 LYS QG 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1417,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1422,1423,
 &end
#
# 90 LYS HA 91 ILE HN 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1437, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 91 ILE HA 91 ILE QD1 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1450,1451,1452,
 &end
#
# 91 ILE HA 91 ILE QG1 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1447,1448,
 &end
#
# 91 ILE HA 91 ILE QG2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1443,1444,1445,
 &end
#
# 91 ILE HA 92 LYS HN 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1456, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 91 ILE HB 91 ILE QD1 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1450,1451,1452,
 &end
#
# 91 ILE HB 92 LYS HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1456, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 91 ILE HN 91 ILE HB 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1441, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 91 ILE HN 91 ILE HG12 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1447, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 91 ILE HN 91 ILE HG13 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1448, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 91 ILE HN 91 ILE QG1 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1447,1448,
 &end
#
# 91 ILE HN 92 LYS HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1456, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 91 ILE QG1 92 LYS HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1447,1448,
 &end
#
# 91 ILE QG2 91 ILE HG12 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1443,1444,1445,
 &end
#
# 91 ILE QG2 91 ILE HG13 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1443,1444,1445,
 &end
#
# 91 ILE QG2 91 ILE QG1 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1443,1444,1445,
 igr2=1447,1448,
 &end
#
# 91 ILE QG2 92 LYS HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1443,1444,1445,
 &end
#
# 92 LYS HN 92 LYS QB 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1460,1461,
 &end
#
# 92 LYS HN 92 LYS QG 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1463,1464,
 &end
#
# 92 LYS QB 92 LYS QE 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1460,1461,
 igr2=1469,1470,
 &end
#
# 92 LYS QG 92 LYS QE 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1463,1464,
 igr2=1469,1470,
 &end
# 1480 atoms read from pdb file leap.pdb.
# 10 PHE PHI:  (9 ILE C)-(10 PHE N)-(10 PHE CA)-(10 PHE C) -134.0 -74.0
 &rst     iat =   107,   109,   111,   127,
   r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 10 PHE PSI:  (10 PHE N)-(10 PHE CA)-(10 PHE C)-(11 THR N)  87.0 147.0
 &rst     iat =   109,   111,   127,   129,
   r1 =  86.0, r2 =  87.0, r3 = 147.0, r4 = 148.0,
 &end
# 11 THR PHI:  (10 PHE C)-(11 THR N)-(11 THR CA)-(11 THR C) -136.0 -76.0
 &rst     iat =   127,   129,   131,   141,
   r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
 &end
# 11 THR PSI:  (11 THR N)-(11 THR CA)-(11 THR C)-(12 CYM N)  92.0 152.0
 &rst     iat =   129,   131,   141,   143,
   r1 =  91.0, r2 =  92.0, r3 = 152.0, r4 = 153.0,
 &end
# 12 CYS PHI:  (11 THR C)-(12 CYM N)-(12 CYM CA)-(12 CYM C) -96.0 -36.0
 &rst     iat =   141,   143,   145,   151,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 12 CYS PSI:  (12 CYM N)-(12 CYM CA)-(12 CYM C)-(13 GLU N) 105.0 165.0
 &rst     iat =   143,   145,   151,   153,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end
# 15 CYS CHI1:  (15 CYM N)-(15 CYM CA)-(15 CYM CB)-(15 CYM SG)  30.0  90.0
 &rst     iat =   189,   191,   193,   196,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 18 VAL PHI:  (17 LYS C)-(18 VAL N)-(18 VAL CA)-(18 VAL C) -144.0 -84.0
 &rst     iat =   233,   235,   237,   249,
   r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
 &end
# 18 VAL PSI:  (18 VAL N)-(18 VAL CA)-(18 VAL C)-(19 PHE N) 111.0 171.0
 &rst     iat =   235,   237,   249,   251,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end
# 19 PHE PHI:  (18 VAL C)-(19 PHE N)-(19 PHE CA)-(19 PHE C) -144.4 -84.5
 &rst     iat =   249,   251,   253,   269,
   r1 = -145.4, r2 = -144.4, r3 = -84.5, r4 = -83.5,
 &end
# 19 PHE PSI:  (19 PHE N)-(19 PHE CA)-(19 PHE C)-(20 LYS N) 113.8 173.8
 &rst     iat =   251,   253,   269,   271,
   r1 = 112.8, r2 = 113.8, r3 = 173.8, r4 = 174.8,
 &end
# 23 HIS PHI:  (22 LYS C)-(23 HID N)-(23 HID CA)-(23 HID C) -98.0 -38.0
 &rst     iat =   333,   335,   337,   350,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 23 HIS PSI:  (23 HID N)-(23 HID CA)-(23 HID C)-(24 SER N) -66.0  -6.0
 &rst     iat =   335,   337,   350,   352,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end
# 24 SER PHI:  (23 HID C)-(24 SER N)-(24 SER CA)-(24 SER C) -96.0 -36.0
 &rst     iat =   350,   352,   354,   361,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 24 SER PSI:  (24 SER N)-(24 SER CA)-(24 SER C)-(25 LEU N) -70.0 -10.0
 &rst     iat =   352,   354,   361,   363,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 25 LEU PHI:  (24 SER C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -98.0 -38.0
 &rst     iat =   361,   363,   365,   380,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 GLN N) -67.0  -7.0
 &rst     iat =   363,   365,   380,   382,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 26 GLN PHI:  (25 LEU C)-(26 GLN N)-(26 GLN CA)-(26 GLN C) -91.0 -31.0
 &rst     iat =   380,   382,   384,   397,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 26 GLN PSI:  (26 GLN N)-(26 GLN CA)-(26 GLN C)-(27 ALA N) -71.0 -11.0
 &rst     iat =   382,   384,   397,   399,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 27 ALA PHI:  (26 GLN C)-(27 ALA N)-(27 ALA CA)-(27 ALA C) -94.0 -34.0
 &rst     iat =   397,   399,   401,   407,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 27 ALA PSI:  (27 ALA N)-(27 ALA CA)-(27 ALA C)-(28 HID N) -72.0 -12.0
 &rst     iat =   399,   401,   407,   409,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 28 HIS PHI:  (27 ALA C)-(28 HID N)-(28 HID CA)-(28 HID C) -94.0 -34.0
 &rst     iat =   407,   409,   411,   424,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 LEU N) -69.0  -9.0
 &rst     iat =   409,   411,   424,   426,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 29 LEU PHI:  (28 HID C)-(29 LEU N)-(29 LEU CA)-(29 LEU C) -94.0 -34.0
 &rst     iat =   424,   426,   428,   443,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 29 LEU PSI:  (29 LEU N)-(29 LEU CA)-(29 LEU C)-(30 ARG N) -68.0  -8.0
 &rst     iat =   426,   428,   443,   445,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 30 ARG PHI:  (29 LEU C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -94.0 -34.0
 &rst     iat =   443,   445,   447,   467,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 ILE N) -68.0  -8.0
 &rst     iat =   445,   447,   467,   469,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 31 ILE PHI:  (30 ARG C)-(31 ILE N)-(31 ILE CA)-(31 ILE C) -103.0 -43.0
 &rst     iat =   467,   469,   471,   486,
   r1 = -104.0, r2 = -103.0, r3 = -43.0, r4 = -42.0,
 &end
# 31 ILE PSI:  (31 ILE N)-(31 ILE CA)-(31 ILE C)-(32 HID N) -61.0  -1.0
 &rst     iat =   469,   471,   486,   488,
   r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
 &end
# 39 LYS PHI:  (38 TYR C)-(39 LYS N)-(39 LYS CA)-(39 LYS C) -134.4 -74.4
 &rst     iat =   603,   605,   607,   625,
   r1 = -135.4, r2 = -134.4, r3 = -74.4, r4 = -73.4,
 &end
# 39 LYS PSI:  (39 LYS N)-(39 LYS CA)-(39 LYS C)-(40 CYM N)  90.2 150.2
 &rst     iat =   605,   607,   625,   627,
   r1 =  89.2, r2 =  90.2, r3 = 150.2, r4 = 151.2,
 &end
# 40 CYS PHI:  (39 LYS C)-(40 CYM N)-(40 CYM CA)-(40 CYM C) -125.3 -65.3
 &rst     iat =   625,   627,   629,   635,
   r1 = -126.3, r2 = -125.3, r3 = -65.3, r4 = -64.3,
 &end
# 40 CYS PSI:  (40 CYM N)-(40 CYM CA)-(40 CYM C)-(41 PRO N)  97.4 157.4
 &rst     iat =   627,   629,   635,   637,
   r1 =  96.4, r2 =  97.4, r3 = 157.4, r4 = 158.4,
 &end
# 43 CYS CHI1:  (43 CYM N)-(43 CYM CA)-(43 CYM CB)-(43 CYM SG)  30.0  90.0
 &rst     iat =   668,   670,   672,   675,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 46 ALA PHI:  (45 TYR C)-(46 ALA N)-(46 ALA CA)-(46 ALA C) -141.0 -81.0
 &rst     iat =   708,   710,   712,   718,
   r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
 &end
# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 SER N) 123.0 183.0
 &rst     iat =   710,   712,   718,   720,
   r1 = 122.0, r2 = 123.0, r3 = 183.0, r4 = 184.0,
 &end
# 51 ALA PHI:  (50 LYS C)-(51 ALA N)-(51 ALA CA)-(51 ALA C) -97.3 -37.3
 &rst     iat =   780,   782,   784,   790,
   r1 = -98.3, r2 = -97.3, r3 = -37.3, r4 = -36.3,
 &end
# 51 ALA PSI:  (51 ALA N)-(51 ALA CA)-(51 ALA C)-(52 ASN N) -69.7  -9.7
 &rst     iat =   782,   784,   790,   792,
   r1 = -70.7, r2 = -69.7, r3 =  -9.7, r4 =  -8.7,
 &end
# 52 ASN PHI:  (51 ALA C)-(52 ASN N)-(52 ASN CA)-(52 ASN C) -94.6 -34.6
 &rst     iat =   790,   792,   794,   804,
   r1 = -95.6, r2 = -94.6, r3 = -34.6, r4 = -33.6,
 &end
# 52 ASN PSI:  (52 ASN N)-(52 ASN CA)-(52 ASN C)-(53 LEU N) -70.0  -9.9
 &rst     iat =   792,   794,   804,   806,
   r1 = -71.0, r2 = -70.0, r3 =  -9.9, r4 =  -8.9,
 &end
# 53 LEU PHI:  (52 ASN C)-(53 LEU N)-(53 LEU CA)-(53 LEU C) -97.5 -37.5
 &rst     iat =   804,   806,   808,   823,
   r1 = -98.5, r2 = -97.5, r3 = -37.5, r4 = -36.5,
 &end
# 53 LEU PSI:  (53 LEU N)-(53 LEU CA)-(53 LEU C)-(54 ASN N) -68.1  -8.1
 &rst     iat =   806,   808,   823,   825,
   r1 = -69.1, r2 = -68.1, r3 =  -8.1, r4 =  -7.1,
 &end
# 54 ASN PHI:  (53 LEU C)-(54 ASN N)-(54 ASN CA)-(54 ASN C) -96.3 -36.3
 &rst     iat =   823,   825,   827,   837,
   r1 = -97.3, r2 = -96.3, r3 = -36.3, r4 = -35.3,
 &end
# 54 ASN PSI:  (54 ASN N)-(54 ASN CA)-(54 ASN C)-(55 VAL N) -73.0 -13.1
 &rst     iat =   825,   827,   837,   839,
   r1 = -74.0, r2 = -73.0, r3 = -13.1, r4 = -12.1,
 &end
# 55 VAL PHI:  (54 ASN C)-(55 VAL N)-(55 VAL CA)-(55 VAL C) -97.7 -37.7
 &rst     iat =   837,   839,   841,   853,
   r1 = -98.7, r2 = -97.7, r3 = -37.7, r4 = -36.7,
 &end
# 55 VAL PSI:  (55 VAL N)-(55 VAL CA)-(55 VAL C)-(56 HID N) -70.7 -10.7
 &rst     iat =   839,   841,   853,   855,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end
# 56 HIS PHI:  (55 VAL C)-(56 HID N)-(56 HID CA)-(56 HID C) -95.2 -35.1
 &rst     iat =   853,   855,   857,   870,
   r1 = -96.2, r2 = -95.2, r3 = -35.1, r4 = -34.1,
 &end
# 56 HIS PSI:  (56 HID N)-(56 HID CA)-(56 HID C)-(57 LEU N) -70.2 -10.2
 &rst     iat =   855,   857,   870,   872,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end
# 57 LEU PHI:  (56 HID C)-(57 LEU N)-(57 LEU CA)-(57 LEU C) -94.1 -34.1
 &rst     iat =   870,   872,   874,   889,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end
# 57 LEU PSI:  (57 LEU N)-(57 LEU CA)-(57 LEU C)-(58 ARG N) -63.0  -3.0
 &rst     iat =   872,   874,   889,   891,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end
# 58 ARG PHI:  (57 LEU C)-(58 ARG N)-(58 ARG CA)-(58 ARG C) -100.0 -40.0
 &rst     iat =   889,   891,   893,   913,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end
# 58 ARG PSI:  (58 ARG N)-(58 ARG CA)-(58 ARG C)-(59 LYS N) -64.0  -4.0
 &rst     iat =   891,   893,   913,   915,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end
# 59 LYS PHI:  (58 ARG C)-(59 LYS N)-(59 LYS CA)-(59 LYS C) -100.0 -40.0
 &rst     iat =   913,   915,   917,   935,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end
# 59 LYS PSI:  (59 LYS N)-(59 LYS CA)-(59 LYS C)-(60 HID N) -63.0  -3.0
 &rst     iat =   915,   917,   935,   937,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end
# 65 PHE PHI:  (64 LYS C)-(65 PHE N)-(65 PHE CA)-(65 PHE C) -125.0 -65.0
 &rst     iat =  1010,  1012,  1014,  1030,
   r1 = -126.0, r2 = -125.0, r3 = -65.0, r4 = -64.0,
 &end
# 65 PHE PSI:  (65 PHE N)-(65 PHE CA)-(65 PHE C)-(66 ALA N)  94.0 154.0
 &rst     iat =  1012,  1014,  1030,  1032,
   r1 =  93.0, r2 =  94.0, r3 = 154.0, r4 = 155.0,
 &end
# 66 ALA PHI:  (65 PHE C)-(66 ALA N)-(66 ALA CA)-(66 ALA C) -137.0 -77.0
 &rst     iat =  1030,  1032,  1034,  1040,
   r1 = -138.0, r2 = -137.0, r3 = -77.0, r4 = -76.0,
 &end
# 66 ALA PSI:  (66 ALA N)-(66 ALA CA)-(66 ALA C)-(67 CYM N)  92.0 152.0
 &rst     iat =  1032,  1034,  1040,  1042,
   r1 =  91.0, r2 =  92.0, r3 = 152.0, r4 = 153.0,
 &end
# 72 PHE PHI:  (71 SER C)-(72 PHE N)-(72 PHE CA)-(72 PHE C) -123.0 -63.0
 &rst     iat =  1104,  1106,  1108,  1124,
   r1 = -124.0, r2 = -123.0, r3 = -63.0, r4 = -62.0,
 &end
# 72 PHE PSI:  (72 PHE N)-(72 PHE CA)-(72 PHE C)-(73 THR N)  97.0 157.0
 &rst     iat =  1106,  1108,  1124,  1126,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end
# 73 THR PHI:  (72 PHE C)-(73 THR N)-(73 THR CA)-(73 THR C) -149.0 -89.0
 &rst     iat =  1124,  1126,  1128,  1138,
   r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
 &end
# 73 THR PSI:  (73 THR N)-(73 THR CA)-(73 THR C)-(74 CYS N) 127.0 187.0
 &rst     iat =  1126,  1128,  1138,  1140,
   r1 = 126.0, r2 = 127.0, r3 = 187.0, r4 = 188.0,
 &end
# 74 CYS PHI:  (73 THR C)-(74 CYS N)-(74 CYS CA)-(74 CYS C) -145.0 -85.0
 &rst     iat =  1138,  1140,  1142,  1149,
   r1 = -146.0, r2 = -145.0, r3 = -85.0, r4 = -84.0,
 &end
# 74 CYS PSI:  (74 CYS N)-(74 CYS CA)-(74 CYS C)-(75 LEU N) 123.0 183.0
 &rst     iat =  1140,  1142,  1149,  1151,
   r1 = 122.0, r2 = 123.0, r3 = 183.0, r4 = 184.0,
 &end
# 78 GLY PHI:  (77 LYS C)-(78 GLY N)-(78 GLY CA)-(78 GLY C) -98.0 -38.0
 &rst     iat =  1201,  1203,  1205,  1208,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 78 GLY PSI:  (78 GLY N)-(78 GLY CA)-(78 GLY C)-(79 HID N) -70.0 -10.0
 &rst     iat =  1203,  1205,  1208,  1210,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 79 HIS PHI:  (78 GLY C)-(79 HID N)-(79 HID CA)-(79 HID C) -95.2 -35.2
 &rst     iat =  1208,  1210,  1212,  1225,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end
# 79 HIS PSI:  (79 HID N)-(79 HID CA)-(79 HID C)-(80 LEU N) -72.6 -12.6
 &rst     iat =  1210,  1212,  1225,  1227,
   r1 = -73.6, r2 = -72.6, r3 = -12.6, r4 = -11.6,
 &end
# 80 LEU PHI:  (79 HID C)-(80 LEU N)-(80 LEU CA)-(80 LEU C) -97.5 -37.5
 &rst     iat =  1225,  1227,  1229,  1244,
   r1 = -98.5, r2 = -97.5, r3 = -37.5, r4 = -36.5,
 &end
# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 LYS N) -69.5  -9.5
 &rst     iat =  1227,  1229,  1244,  1246,
   r1 = -70.5, r2 = -69.5, r3 =  -9.5, r4 =  -8.5,
 &end
# 81 LYS PHI:  (80 LEU C)-(81 LYS N)-(81 LYS CA)-(81 LYS C) -97.7 -37.7
 &rst     iat =  1244,  1246,  1248,  1266,
   r1 = -98.7, r2 = -97.7, r3 = -37.7, r4 = -36.7,
 &end
# 81 LYS PSI:  (81 LYS N)-(81 LYS CA)-(81 LYS C)-(82 VAL N) -69.9  -9.9
 &rst     iat =  1246,  1248,  1266,  1268,
   r1 = -70.9, r2 = -69.9, r3 =  -9.9, r4 =  -8.9,
 &end
# 82 VAL PHI:  (81 LYS C)-(82 VAL N)-(82 VAL CA)-(82 VAL C) -100.9 -40.9
 &rst     iat =  1266,  1268,  1270,  1282,
   r1 = -101.9, r2 = -100.9, r3 = -40.9, r4 = -39.9,
 &end
# 82 VAL PSI:  (82 VAL N)-(82 VAL CA)-(82 VAL C)-(83 HID N) -70.8 -10.8
 &rst     iat =  1268,  1270,  1282,  1284,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end
# 83 HIS PHI:  (82 VAL C)-(83 HID N)-(83 HID CA)-(83 HID C) -95.4 -35.4
 &rst     iat =  1282,  1284,  1286,  1299,
   r1 = -96.4, r2 = -95.4, r3 = -35.4, r4 = -34.4,
 &end
# 83 HIS PSI:  (83 HID N)-(83 HID CA)-(83 HID C)-(84 ILE N) -75.5 -15.5
 &rst     iat =  1284,  1286,  1299,  1301,
   r1 = -76.5, r2 = -75.5, r3 = -15.5, r4 = -14.5,
 &end
# 84 ILE PHI:  (83 HID C)-(84 ILE N)-(84 ILE CA)-(84 ILE C) -95.1 -35.1
 &rst     iat =  1299,  1301,  1303,  1318,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end
# 84 ILE PSI:  (84 ILE N)-(84 ILE CA)-(84 ILE C)-(85 GLU N) -69.3  -9.3
 &rst     iat =  1301,  1303,  1318,  1320,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end
# 85 GLU PHI:  (84 ILE C)-(85 GLU N)-(85 GLU CA)-(85 GLU C) -92.7 -32.7
 &rst     iat =  1318,  1320,  1322,  1333,
   r1 = -93.7, r2 = -92.7, r3 = -32.7, r4 = -31.7,
 &end
# 85 GLU PSI:  (85 GLU N)-(85 GLU CA)-(85 GLU C)-(86 ARG N) -66.5  -6.5
 &rst     iat =  1320,  1322,  1333,  1335,
   r1 = -67.5, r2 = -66.5, r3 =  -6.5, r4 =  -5.5,
 &end
# 86 ARG PHI:  (85 GLU C)-(86 ARG N)-(86 ARG CA)-(86 ARG C) -98.0 -38.0
 &rst     iat =  1333,  1335,  1337,  1357,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 86 ARG PSI:  (86 ARG N)-(86 ARG CA)-(86 ARG C)-(87 VAL N) -65.0  -5.0
 &rst     iat =  1335,  1337,  1357,  1359,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end
# 87 VAL PHI:  (86 ARG C)-(87 VAL N)-(87 VAL CA)-(87 VAL C) -102.0 -42.0
 &rst     iat =  1357,  1359,  1361,  1373,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end
# 87 VAL PSI:  (87 VAL N)-(87 VAL CA)-(87 VAL C)-(88 HID N) -69.0  -9.0
 &rst     iat =  1359,  1361,  1373,  1375,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 88 HIS PHI:  (87 VAL C)-(88 HID N)-(88 HID CA)-(88 HID C) -133.0 -73.0
 &rst     iat =  1373,  1375,  1377,  1390,
   r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
 &end
# 88 HIS PSI:  (88 HID N)-(88 HID CA)-(88 HID C)-(89 LYS N) -40.0  20.0
 &rst     iat =  1375,  1377,  1390,  1392,
   r1 = -41.0, r2 = -40.0, r3 =  20.0, r4 =  21.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 196, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46, 
      rk2=1000, rk3=1000, ir6=1, ialtd=0,
 &end
#
#  12 CYM  SG   28 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 421, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 500, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   93  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 147,1478, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   93  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 150,1478, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  15 CYM  SG   28 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 421, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 500, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   93  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 193,1478, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   93  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1478, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  28 HID NE2   32 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 500, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  28 HID NE2   93  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 421,1478, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  32 HID NE2   93  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 500,1478, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  40 CYM  SG   43 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 675, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  40 CYM  SG   56 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 867, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  40 CYM  SG   60 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 949, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  40 CYM  CB   94  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 631,1479, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  40 CYM  SG   94  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 634,1479, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  43 CYM  SG   56 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 867, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  43 CYM  SG   60 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 949, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  43 CYM  CB   94  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 672,1479, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  43 CYM  SG   94  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 675,1479, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  56 HID NE2   94  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 867,1479, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  60 HID NE2   56 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 867, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  60 HID NE2   94  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 949,1479, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  67 CYM  SG   70 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1092, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  67 CYM  SG   83 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1296, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  67 CYM  SG   88 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1387, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  67 CYM  CB   95  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1480, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  67 CYM  SG   95  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1480, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  70 CYM  SG   83 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1296, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  70 CYM  SG   88 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1387, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  70 CYM  CB   95  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1480, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  70 CYM  SG   95  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1480, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  83 HID NE2   95  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1480, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  88 HID NE2   83 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1296, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  88 HID NE2   95  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1480, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1H       GLY   1  20.198  30.451  12.160
    2    H2   GLY   1           2H       GLY   1  19.080  29.376  12.684
    3    H3   GLY   1           3H       GLY   1  18.748  30.982  12.713
    4    HA2  GLY   1           1HA      GLY   1  17.591  29.943  10.880
    5    HA3  GLY   1           2HA      GLY   1  18.798  31.112  10.316
    6    H    SER   2           H        SER   2  17.923  29.228   8.566
    7    HA   SER   2           HA       SER   2  19.389  26.777   8.506
    8    HB2  SER   2           1HB      SER   2  18.130  28.316   6.204
    9    HB3  SER   2           2HB      SER   2  18.607  26.606   6.193
   10    HG   SER   2           HG       SER   2  16.362  26.894   6.647
   11    H    SER   3           H        SER   3  21.194  26.107   7.394
   12    HA   SER   3           HA       SER   3  23.257  28.081   6.815
   13    HB2  SER   3           1HB      SER   3  23.278  25.057   6.508
   14    HB3  SER   3           2HB      SER   3  24.688  26.131   6.411
   15    HG   SER   3           HG       SER   3  24.442  25.200   8.503
   16    H    GLY   4           H        GLY   4  24.366  28.408   4.881
   17    HA2  GLY   4           1HA      GLY   4  24.791  28.472   2.613
   18    HA3  GLY   4           2HA      GLY   4  23.677  27.136   2.363
   19    H    SER   5           H        SER   5  23.707  28.911   0.441
   20    HA   SER   5           HA       SER   5  21.687  31.028   0.822
   21    HB2  SER   5           1HB      SER   5  22.381  31.700  -1.458
   22    HB3  SER   5           2HB      SER   5  23.718  31.631  -0.299
   23    HG   SER   5           HG       SER   5  24.250  30.637  -2.308
   24    H    SER   6           H        SER   6  21.663  27.779  -0.320
   25    HA   SER   6           HA       SER   6  18.877  28.043  -1.246
   26    HB2  SER   6           1HB      SER   6  19.319  26.874  -3.368
   27    HB3  SER   6           2HB      SER   6  20.121  28.448  -3.294
   28    HG   SER   6           HG       SER   6  21.509  26.816  -4.113
   29    H    GLY   7           H        GLY   7  17.771  26.032  -1.517
   30    HA2  GLY   7           1HA      GLY   7  18.591  23.887   0.335
   31    HA3  GLY   7           2HA      GLY   7  17.062  24.038  -0.523
   32    H    LYS   8           H        LYS   8  17.585  21.653  -0.681
   33    HA   LYS   8           HA       LYS   8  18.878  21.084  -3.306
   34    HB2  LYS   8           1HB      LYS   8  20.371  20.409  -1.419
   35    HB3  LYS   8           2HB      LYS   8  19.117  19.305  -0.840
   36    HG2  LYS   8           1HG      LYS   8  19.266  17.992  -2.911
   37    HG3  LYS   8           2HG      LYS   8  20.375  19.182  -3.622
   38    HD2  LYS   8           1HD      LYS   8  22.047  18.671  -1.856
   39    HD3  LYS   8           2HD      LYS   8  20.941  17.459  -1.168
   40    HE2  LYS   8           1HE      LYS   8  20.980  16.203  -3.301
   41    HE3  LYS   8           2HE      LYS   8  22.026  17.430  -4.023
   42    HZ1  LYS   8           3HZ      LYS   8  23.316  15.531  -3.229
   43    HZ2  LYS   8           1HZ      LYS   8  22.777  15.733  -1.698
   44    HZ3  LYS   8           2HZ      LYS   8  23.734  16.862  -2.388
   45    H    ILE   9           H        ILE   9  17.980  19.557  -4.563
   46    HA   ILE   9           HA       ILE   9  15.260  18.521  -3.916
   47    HB   ILE   9           HB       ILE   9  16.044  20.159  -6.367
   48   HG12  ILE   9          1HG1      ILE   9  14.148  20.848  -4.070
   49   HG13  ILE   9          2HG1      ILE   9  15.729  21.576  -4.356
   50   HG21  ILE   9          1HG2      ILE   9  14.453  18.393  -6.970
   51   HG22  ILE   9          2HG2      ILE   9  13.378  18.873  -5.630
   52   HG23  ILE   9          3HG2      ILE   9  13.659  19.945  -7.021
   53   HD11  ILE   9          3HD1      ILE   9  14.916  22.457  -6.548
   54   HD12  ILE   9          1HD1      ILE   9  13.273  21.934  -6.085
   55   HD13  ILE   9          2HD1      ILE   9  14.130  23.133  -5.109
   56    H    PHE  10           H        PHE  10  14.699  16.627  -5.037
   57    HA   PHE  10           HA       PHE  10  16.953  15.217  -6.420
   58    HB2  PHE  10           1HB      PHE  10  14.874  14.058  -4.534
   59    HB3  PHE  10           2HB      PHE  10  16.211  13.199  -5.283
   60    HD1  PHE  10           1HD      PHE  10  15.273  15.691  -2.708
   61    HD2  PHE  10           2HD      PHE  10  18.519  13.436  -4.435
   62    HE1  PHE  10           1HE      PHE  10  16.739  16.357  -0.819
   63    HE2  PHE  10           2HE      PHE  10  19.985  14.117  -2.556
   64    HZ   PHE  10           HZ       PHE  10  19.096  15.562  -0.736
   65    H    THR  11           H        THR  11  16.496  14.165  -8.346
   66    HA   THR  11           HA       THR  11  13.681  14.283  -9.347
   67    HB   THR  11           HB       THR  11  16.166  15.123 -10.878
   68    HG1  THR  11           1HG      THR  11  15.757  16.677  -9.373
   69   HG21  THR  11          3HG2      THR  11  14.527  16.121 -12.443
   70   HG22  THR  11          1HG2      THR  11  13.200  15.400 -11.504
   71   HG23  THR  11          2HG2      THR  11  14.367  14.362 -12.358
   72    H    CYS  12           H        CYS  12  12.982  12.638 -10.563
   73    HA   CYS  12           HA       CYS  12  14.501  10.176 -10.805
   74    HB2  CYS  12           1HB      CYS  12  12.115  10.255 -10.305
   75    HB3  CYS  12           2HB      CYS  12  11.794  11.071 -11.851
   76    H    GLU  13           H        GLU  13  15.567   9.371 -12.503
   77    HA   GLU  13           HA       GLU  13  16.030  11.081 -14.864
   78    HB2  GLU  13           1HB      GLU  13  17.865   9.642 -15.371
   79    HB3  GLU  13           2HB      GLU  13  17.928  10.087 -13.668
   80    HG2  GLU  13           1HG      GLU  13  16.939   7.862 -13.073
   81    HG3  GLU  13           2HG      GLU  13  16.941   7.424 -14.785
   82    H    TYR  14           H        TYR  14  13.791   8.676 -14.135
   83    HA   TYR  14           HA       TYR  14  13.681   7.603 -16.922
   84    HB2  TYR  14           1HB      TYR  14  12.418   6.645 -14.349
   85    HB3  TYR  14           2HB      TYR  14  12.232   5.874 -15.912
   86    HD1  TYR  14           2HD      TYR  14  14.231   4.836 -17.057
   87    HD2  TYR  14           1HD      TYR  14  14.354   6.241 -12.980
   88    HE1  TYR  14           2HE      TYR  14  16.257   3.442 -16.634
   89    HE2  TYR  14           1HE      TYR  14  16.378   4.847 -12.562
   90    HH   TYR  14           HH       TYR  14  17.885   3.362 -13.442
   91    H    CYS  15           H        CYS  15  11.722   9.463 -14.621
   92    HA   CYS  15           HA       CYS  15   9.746   9.969 -16.785
   93    HB2  CYS  15           1HB      CYS  15   7.884   9.653 -15.321
   94    HB3  CYS  15           2HB      CYS  15   8.857   8.185 -15.380
   95    H    ASN  16           H        ASN  16  11.943  11.479 -14.995
   96    HA   ASN  16           HA       ASN  16  12.385  13.561 -14.327
   97    HB2  ASN  16           1HB      ASN  16  10.261  14.310 -16.354
   98    HB3  ASN  16           2HB      ASN  16  11.462  15.402 -15.680
   99   HD21  ASN  16          1HD2      ASN  16  11.315  15.172 -18.386
  100   HD22  ASN  16          2HD2      ASN  16  12.739  14.317 -18.961
  101    H    LYS  17           H        LYS  17   9.998  12.186 -12.856
  102    HA   LYS  17           HA       LYS  17   8.577  14.354 -11.580
  103    HB2  LYS  17           1HB      LYS  17   9.218  11.513 -10.713
  104    HB3  LYS  17           2HB      LYS  17   8.314  12.644  -9.692
  105    HG2  LYS  17           1HG      LYS  17   6.609  12.916 -11.473
  106    HG3  LYS  17           2HG      LYS  17   7.487  11.738 -12.466
  107    HD2  LYS  17           1HD      LYS  17   7.296  10.133 -10.455
  108    HD3  LYS  17           2HD      LYS  17   6.160  11.278  -9.748
  109    HE2  LYS  17           1HE      LYS  17   5.876   9.850 -12.428
  110    HE3  LYS  17           2HE      LYS  17   5.089   9.374 -10.916
  111    HZ1  LYS  17           3HZ      LYS  17   3.582  10.675 -12.296
  112    HZ2  LYS  17           1HZ      LYS  17   4.611  11.936 -12.351
  113    HZ3  LYS  17           2HZ      LYS  17   3.906  11.515 -10.936
  114    H    VAL  18           H        VAL  18   8.824  15.206  -9.575
  115    HA   VAL  18           HA       VAL  18  11.652  15.521  -8.624
  116    HB   VAL  18           HB       VAL  18   9.473  17.635  -8.776
  117   HG11  VAL  18          1HG1      VAL  18  11.330  19.194  -8.164
  118   HG12  VAL  18          2HG1      VAL  18  10.957  18.063  -6.863
  119   HG13  VAL  18          3HG1      VAL  18  12.380  17.783  -7.897
  120   HG21  VAL  18          3HG2      VAL  18  10.407  17.131 -11.013
  121   HG22  VAL  18          1HG2      VAL  18  10.969  18.702 -10.446
  122   HG23  VAL  18          2HG2      VAL  18  12.056  17.299 -10.371
  123    H    PHE  19           H        PHE  19  12.085  15.436  -6.522
  124    HA   PHE  19           HA       PHE  19   9.908  14.944  -4.545
  125    HB2  PHE  19           1HB      PHE  19  12.446  13.312  -4.944
  126    HB3  PHE  19           2HB      PHE  19  11.239  13.061  -3.693
  127    HD1  PHE  19           2HD      PHE  19   8.985  12.138  -4.256
  128    HD2  PHE  19           1HD      PHE  19  12.048  12.606  -7.255
  129    HE1  PHE  19           2HE      PHE  19   7.662  10.743  -5.827
  130    HE2  PHE  19           1HE      PHE  19  10.727  11.204  -8.816
  131    HZ   PHE  19           HZ       PHE  19   8.507  10.305  -8.127
  132    H    LYS  20           H        LYS  20  10.314  15.516  -2.446
  133    HA   LYS  20           HA       LYS  20  12.164  17.711  -2.045
  134    HB2  LYS  20           1HB      LYS  20   9.797  17.513  -1.192
  135    HB3  LYS  20           2HB      LYS  20  10.363  16.322  -0.012
  136    HG2  LYS  20           1HG      LYS  20  11.838  18.014   1.010
  137    HG3  LYS  20           2HG      LYS  20  11.404  19.183  -0.255
  138    HD2  LYS  20           1HD      LYS  20   9.012  19.035   0.496
  139    HD3  LYS  20           2HD      LYS  20   9.514  17.995   1.834
  140    HE2  LYS  20           1HE      LYS  20  10.523  20.836   1.324
  141    HE3  LYS  20           2HE      LYS  20   9.199  20.430   2.417
  142    HZ1  LYS  20           3HZ      LYS  20  10.749  19.128   3.747
  143    HZ2  LYS  20           1HZ      LYS  20  11.290  20.659   3.616
  144    HZ3  LYS  20           2HZ      LYS  20  11.994  19.477   2.738
  145    H    PHE  21           H        PHE  21  12.332  14.323  -1.281
  146    HA   PHE  21           HA       PHE  21  14.961  14.701   0.075
  147    HB2  PHE  21           1HB      PHE  21  12.731  12.860   1.013
  148    HB3  PHE  21           2HB      PHE  21  14.349  12.954   1.688
  149    HD1  PHE  21           2HD      PHE  21  15.124  15.153   2.773
  150    HD2  PHE  21           1HD      PHE  21  11.001  14.278   1.851
  151    HE1  PHE  21           2HE      PHE  21  14.391  16.826   4.455
  152    HE2  PHE  21           1HE      PHE  21  10.271  15.948   3.538
  153    HZ   PHE  21           HZ       PHE  21  11.967  17.208   4.861
  154    H    LYS  22           H        LYS  22  16.424  12.988  -0.125
  155    HA   LYS  22           HA       LYS  22  16.356  11.523  -2.560
  156    HB2  LYS  22           1HB      LYS  22  18.385  12.273  -1.262
  157    HB3  LYS  22           2HB      LYS  22  18.101  10.949  -0.130
  158    HG2  LYS  22           1HG      LYS  22  18.462   9.295  -1.874
  159    HG3  LYS  22           2HG      LYS  22  18.403  10.526  -3.140
  160    HD2  LYS  22           1HD      LYS  22  20.695   9.759  -2.727
  161    HD3  LYS  22           2HD      LYS  22  20.512  11.488  -2.400
  162    HE2  LYS  22           1HE      LYS  22  20.394  11.067   0.011
  163    HE3  LYS  22           2HE      LYS  22  20.436   9.317  -0.259
  164    HZ1  LYS  22           3HZ      LYS  22  22.675   9.580  -1.187
  165    HZ2  LYS  22           1HZ      LYS  22  22.632  10.176   0.330
  166    HZ3  LYS  22           2HZ      LYS  22  22.638  11.196  -0.943
  167    H    HIS  23           H        HIS  23  15.428  10.489   0.728
  168    HA   HIS  23           HA       HIS  23  15.159   7.710   0.086
  169    HB2  HIS  23           1HB      HIS  23  13.846   7.551   2.147
  170    HB3  HIS  23           2HB      HIS  23  15.373   8.388   2.357
  171    HD1  HIS  23           1HD      HIS  23  15.213  10.652   3.632
  172    HD2  HIS  23           2HD      HIS  23  11.561   9.259   2.069
  173    HE1  HIS  23           1HE      HIS  23  13.408  12.211   4.530
  174    H    SER  24           H        SER  24  12.877  10.423  -0.335
  175    HA   SER  24           HA       SER  24  10.618   8.809  -1.113
  176    HB2  SER  24           1HB      SER  24  11.300  11.671  -1.875
  177    HB3  SER  24           2HB      SER  24   9.720  10.880  -2.042
  178    HG   SER  24           HG       SER  24   9.775  12.067  -0.117
  179    H    LEU  25           H        LEU  25  13.289  10.325  -2.986
  180    HA   LEU  25           HA       LEU  25  12.380   9.368  -5.542
  181    HB2  LEU  25           1HB      LEU  25  13.930  11.218  -5.379
  182    HB3  LEU  25           2HB      LEU  25  15.118  10.220  -4.539
  183    HG   LEU  25           HG       LEU  25  15.445   8.837  -6.548
  184   HD11  LEU  25          1HD1      LEU  25  13.202   9.051  -7.609
  185   HD12  LEU  25          2HD1      LEU  25  14.502   9.482  -8.710
  186   HD13  LEU  25          3HD1      LEU  25  13.536  10.763  -7.946
  187   HD21  LEU  25          3HD2      LEU  25  16.823  10.855  -6.213
  188   HD22  LEU  25          1HD2      LEU  25  15.643  11.805  -7.149
  189   HD23  LEU  25          2HD2      LEU  25  16.565  10.507  -7.931
  190    H    GLN  26           H        GLN  26  14.699   7.954  -3.156
  191    HA   GLN  26           HA       GLN  26  15.355   5.634  -4.664
  192    HB2  GLN  26           1HB      GLN  26  15.268   6.232  -1.689
  193    HB3  GLN  26           2HB      GLN  26  15.755   4.654  -2.278
  194    HG2  GLN  26           1HG      GLN  26  17.093   7.274  -3.116
  195    HG3  GLN  26           2HG      GLN  26  17.660   6.245  -1.806
  196   HE21  GLN  26          1HE2      GLN  26  19.480   6.783  -3.751
  197   HE22  GLN  26          2HE2      GLN  26  19.701   5.365  -4.767
  198    H    ALA  27           H        ALA  27  12.606   6.126  -2.399
  199    HA   ALA  27           HA       ALA  27  11.580   3.452  -2.763
  200    HB1  ALA  27           1HB      ALA  27  11.122   4.840  -0.799
  201    HB2  ALA  27           2HB      ALA  27  10.230   6.004  -1.813
  202    HB3  ALA  27           3HB      ALA  27   9.616   4.345  -1.609
  203    H    HIS  28           H        HIS  28  11.002   6.529  -4.510
  204    HA   HIS  28           HA       HIS  28   8.881   5.545  -6.189
  205    HB2  HIS  28           1HB      HIS  28   9.202   7.908  -5.970
  206    HB3  HIS  28           2HB      HIS  28  10.893   7.805  -6.456
  207    HD1  HIS  28           1HD      HIS  28   7.425   7.212  -8.085
  208    HD2  HIS  28           2HD      HIS  28  11.447   8.041  -8.984
  209    HE1  HIS  28           1HE      HIS  28   7.512   7.567 -10.593
  210    H    LEU  29           H        LEU  29  12.449   5.586  -6.644
  211    HA   LEU  29           HA       LEU  29  12.532   4.671  -9.295
  212    HB2  LEU  29           1HB      LEU  29  14.440   4.415  -6.954
  213    HB3  LEU  29           2HB      LEU  29  14.861   3.771  -8.534
  214    HG   LEU  29           HG       LEU  29  14.080   6.689  -8.153
  215   HD11  LEU  29          1HD1      LEU  29  16.071   6.205  -6.784
  216   HD12  LEU  29          2HD1      LEU  29  16.500   7.178  -8.197
  217   HD13  LEU  29          3HD1      LEU  29  16.858   5.434  -8.177
  218   HD21  LEU  29          3HD2      LEU  29  13.944   5.887 -10.474
  219   HD22  LEU  29          1HD2      LEU  29  15.594   5.238 -10.355
  220   HD23  LEU  29          2HD2      LEU  29  15.302   6.990 -10.272
  221    H    ARG  30           H        ARG  30  11.671   2.771  -6.526
  222    HA   ARG  30           HA       ARG  30  12.231   0.127  -7.424
  223    HB2  ARG  30           1HB      ARG  30   9.856   1.174  -5.820
  224    HB3  ARG  30           2HB      ARG  30  10.331  -0.522  -5.952
  225    HG2  ARG  30           1HG      ARG  30  12.478  -0.068  -4.852
  226    HG3  ARG  30           2HG      ARG  30  12.104   1.662  -4.768
  227    HD2  ARG  30           1HD      ARG  30  10.108   1.160  -3.386
  228    HD3  ARG  30           2HD      ARG  30  10.553  -0.559  -3.387
  229    HE   ARG  30           HE       ARG  30  12.841   0.632  -2.472
  230   HH11  ARG  30          2HH1      ARG  30   9.532   0.869  -1.340
  231   HH12  ARG  30          1HH1      ARG  30  10.023   1.241   0.290
  232   HH21  ARG  30          2HH2      ARG  30  13.393   1.096  -0.372
  233   HH22  ARG  30          1HH2      ARG  30  12.153   1.359   0.816
  234    H    ILE  31           H        ILE  31   9.656   2.334  -8.550
  235    HA   ILE  31           HA       ILE  31   8.208   0.224  -9.919
  236    HB   ILE  31           HB       ILE  31   6.833   1.798 -10.816
  237   HG12  ILE  31          1HG1      ILE  31   8.821   4.025 -10.276
  238   HG13  ILE  31          2HG1      ILE  31   8.355   3.368 -11.840
  239   HG21  ILE  31          1HG2      ILE  31   6.732   1.451  -8.328
  240   HG22  ILE  31          2HG2      ILE  31   7.570   3.007  -8.129
  241   HG23  ILE  31          3HG2      ILE  31   5.971   2.937  -8.894
  242   HD11  ILE  31          3HD1      ILE  31   6.579   4.943  -9.964
  243   HD12  ILE  31          1HD1      ILE  31   7.169   5.399 -11.576
  244   HD13  ILE  31          2HD1      ILE  31   5.994   4.080 -11.410
  245    H    HIS  32           H        HIS  32  10.940   2.200 -10.757
  246    HA   HIS  32           HA       HIS  32  10.803   1.559 -13.633
  247    HB2  HIS  32           1HB      HIS  32  12.836   3.146 -12.029
  248    HB3  HIS  32           2HB      HIS  32  12.803   2.983 -13.782
  249    HD1  HIS  32           1HD      HIS  32  10.129   3.817 -14.780
  250    HD2  HIS  32           2HD      HIS  32  11.821   5.400 -11.282
  251    HE1  HIS  32           1HE      HIS  32   8.980   6.050 -14.409
  252    H    THR  33           H        THR  33  12.677   0.496 -10.762
  253    HA   THR  33           HA       THR  33  14.352  -1.309 -12.359
  254    HB   THR  33           HB       THR  33  15.025  -2.312 -10.259
  255    HG1  THR  33           1HG      THR  33  14.207  -1.689  -8.360
  256   HG21  THR  33          3HG2      THR  33  14.988   0.728 -10.019
  257   HG22  THR  33          1HG2      THR  33  16.142  -0.216 -10.988
  258   HG23  THR  33          2HG2      THR  33  16.115  -0.392  -9.225
  259    H    ASN  34           H        ASN  34  11.354  -1.637 -10.460
  260    HA   ASN  34           HA       ASN  34   9.836  -3.273 -10.226
  261    HB2  ASN  34           1HB      ASN  34   9.460  -2.329 -12.544
  262    HB3  ASN  34           2HB      ASN  34  10.283  -3.746 -13.193
  263   HD21  ASN  34          1HD2      ASN  34   8.034  -3.785 -14.281
  264   HD22  ASN  34          2HD2      ASN  34   6.771  -4.643 -13.412
  265    H    GLU  35           H        GLU  35  12.140  -4.109  -9.253
  266    HA   GLU  35           HA       GLU  35  13.097  -6.588 -10.387
  267    HB2  GLU  35           1HB      GLU  35  14.843  -6.403  -8.724
  268    HB3  GLU  35           2HB      GLU  35  14.563  -4.853  -9.510
  269    HG2  GLU  35           1HG      GLU  35  13.144  -4.171  -7.513
  270    HG3  GLU  35           2HG      GLU  35  13.624  -5.674  -6.726
  271    H    LYS  36           H        LYS  36  10.511  -6.173  -8.268
  272    HA   LYS  36           HA       LYS  36  10.905  -8.393  -6.468
  273    HB2  LYS  36           1HB      LYS  36   8.435  -6.916  -7.420
  274    HB3  LYS  36           2HB      LYS  36   8.358  -8.271  -6.287
  275    HG2  LYS  36           1HG      LYS  36   9.872  -7.060  -4.727
  276    HG3  LYS  36           2HG      LYS  36   9.883  -5.671  -5.835
  277    HD2  LYS  36           1HD      LYS  36   7.419  -5.466  -5.603
  278    HD3  LYS  36           2HD      LYS  36   7.409  -6.865  -4.505
  279    HE2  LYS  36           1HE      LYS  36   8.866  -5.639  -2.922
  280    HE3  LYS  36           2HE      LYS  36   8.889  -4.245  -4.010
  281    HZ1  LYS  36           3HZ      LYS  36   6.483  -4.044  -3.707
  282    HZ2  LYS  36           1HZ      LYS  36   7.216  -3.998  -2.251
  283    HZ3  LYS  36           2HZ      LYS  36   6.440  -5.351  -2.730
  284    HA   PRO  37           HA       PRO  37  10.629 -11.422  -9.691
  285    HB2  PRO  37           1HB      PRO  37  10.682 -13.768  -8.212
  286    HB3  PRO  37           2HB      PRO  37  12.085 -12.714  -8.531
  287    HG2  PRO  37           1HG      PRO  37  10.316 -12.749  -6.075
  288    HG3  PRO  37           2HG      PRO  37  12.106 -12.741  -6.149
  289    HD2  PRO  37           1HD      PRO  37  10.699 -10.464  -5.743
  290    HD3  PRO  37           2HD      PRO  37  12.145 -10.462  -6.791
  291    H    TYR  38           H        TYR  38   8.296 -11.858  -7.005
  292    HA   TYR  38           HA       TYR  38   6.643 -13.636  -8.686
  293    HB2  TYR  38           1HB      TYR  38   6.415 -12.880  -5.766
  294    HB3  TYR  38           2HB      TYR  38   5.394 -14.038  -6.598
  295    HD1  TYR  38           1HD      TYR  38   6.527 -16.050  -7.775
  296    HD2  TYR  38           2HD      TYR  38   8.467 -13.571  -4.850
  297    HE1  TYR  38           1HE      TYR  38   8.189 -17.861  -7.347
  298    HE2  TYR  38           2HE      TYR  38  10.141 -15.366  -4.409
  299    HH   TYR  38           HH       TYR  38  10.055 -18.498  -6.167
  300    H    LYS  39           H        LYS  39   5.858 -12.256 -10.219
  301    HA   LYS  39           HA       LYS  39   4.231  -9.895  -9.459
  302    HB2  LYS  39           1HB      LYS  39   5.262 -10.933 -12.113
  303    HB3  LYS  39           2HB      LYS  39   4.193  -9.529 -11.957
  304    HG2  LYS  39           1HG      LYS  39   5.801  -8.341 -10.606
  305    HG3  LYS  39           2HG      LYS  39   6.846  -9.758 -10.482
  306    HD2  LYS  39           1HD      LYS  39   7.264  -9.651 -12.931
  307    HD3  LYS  39           2HD      LYS  39   6.270  -8.172 -13.019
  308    HE2  LYS  39           1HE      LYS  39   7.769  -7.072 -11.368
  309    HE3  LYS  39           2HE      LYS  39   8.726  -8.547 -11.246
  310    HZ1  LYS  39           3HZ      LYS  39   9.367  -8.282 -13.562
  311    HZ2  LYS  39           1HZ      LYS  39   9.766  -6.951 -12.693
  312    HZ3  LYS  39           2HZ      LYS  39   8.473  -6.914 -13.705
  313    H    CYS  40           H        CYS  40   2.115  -9.610  -9.801
  314    HA   CYS  40           HA       CYS  40   0.392 -11.919  -9.871
  315    HB2  CYS  40           1HB      CYS  40  -0.027  -9.933  -8.532
  316    HB3  CYS  40           2HB      CYS  40  -0.182  -8.946  -9.999
  317    HA   PRO  41           HA       PRO  41  -0.181 -11.817 -14.391
  318    HB2  PRO  41           1HB      PRO  41  -1.982 -13.828 -14.673
  319    HB3  PRO  41           2HB      PRO  41  -0.278 -14.135 -14.221
  320    HG2  PRO  41           1HG      PRO  41  -2.692 -13.978 -12.397
  321    HG3  PRO  41           2HG      PRO  41  -1.394 -15.210 -12.415
  322    HD2  PRO  41           1HD      PRO  41  -1.427 -13.017 -10.720
  323    HD3  PRO  41           2HD      PRO  41   0.085 -13.800 -11.279
  324    H    GLN  42           H        GLN  42  -2.503 -11.032 -11.931
  325    HA   GLN  42           HA       GLN  42  -4.594 -10.272 -13.917
  326    HB2  GLN  42           1HB      GLN  42  -4.806 -10.474 -10.907
  327    HB3  GLN  42           2HB      GLN  42  -6.119 -10.190 -12.039
  328    HG2  GLN  42           1HG      GLN  42  -4.498 -12.742 -11.692
  329    HG3  GLN  42           2HG      GLN  42  -6.182 -12.481 -11.271
  330   HE21  GLN  42          1HE2      GLN  42  -7.680 -11.869 -13.220
  331   HE22  GLN  42          2HE2      GLN  42  -7.323 -12.717 -14.718
  332    H    CYS  43           H        CYS  43  -2.418  -8.732 -11.473
  333    HA   CYS  43           HA       CYS  43  -3.273  -6.109 -12.548
  334    HB2  CYS  43           1HB      CYS  43  -3.704  -5.203 -10.371
  335    HB3  CYS  43           2HB      CYS  43  -4.721  -6.614 -10.611
  336    H    SER  44           H        SER  44  -1.895  -4.373 -11.173
  337    HA   SER  44           HA       SER  44   0.815  -4.707 -12.085
  338    HB2  SER  44           1HB      SER  44  -0.340  -2.537 -10.298
  339    HB3  SER  44           2HB      SER  44   1.145  -2.437 -11.259
  340    HG   SER  44           HG       SER  44  -0.118  -2.591 -13.147
  341    H    TYR  45           H        TYR  45  -0.468  -6.027  -9.336
  342    HA   TYR  45           HA       TYR  45   1.333  -5.369  -7.258
  343    HB2  TYR  45           1HB      TYR  45  -0.873  -6.351  -6.958
  344    HB3  TYR  45           2HB      TYR  45  -0.387  -7.811  -7.811
  345    HD1  TYR  45           1HD      TYR  45   1.140  -9.459  -6.653
  346    HD2  TYR  45           2HD      TYR  45  -0.186  -5.851  -4.691
  347    HE1  TYR  45           1HE      TYR  45   1.853 -10.391  -4.463
  348    HE2  TYR  45           2HE      TYR  45   0.539  -6.787  -2.495
  349    HH   TYR  45           HH       TYR  45   1.937 -10.060  -2.189
  350    H    ALA  46           H        ALA  46   3.118  -6.314  -6.444
  351    HA   ALA  46           HA       ALA  46   4.189  -8.793  -7.561
  352    HB1  ALA  46           1HB      ALA  46   5.953  -6.317  -7.471
  353    HB2  ALA  46           2HB      ALA  46   6.381  -7.943  -8.071
  354    HB3  ALA  46           3HB      ALA  46   5.200  -6.951  -8.943
  355    H    SER  47           H        SER  47   5.691  -9.863  -6.275
  356    HA   SER  47           HA       SER  47   6.039  -8.992  -3.434
  357    HB2  SER  47           1HB      SER  47   4.075 -10.453  -3.625
  358    HB3  SER  47           2HB      SER  47   5.042 -11.663  -4.485
  359    HG   SER  47           HG       SER  47   5.170 -12.384  -2.514
  360    H    ALA  48           H        ALA  48   7.702 -10.076  -2.291
  361    HA   ALA  48           HA       ALA  48   9.937 -11.179  -3.916
  362    HB1  ALA  48           1HB      ALA  48  10.438  -9.306  -2.399
  363    HB2  ALA  48           2HB      ALA  48   9.854 -10.268  -1.018
  364    HB3  ALA  48           3HB      ALA  48  11.291 -10.788  -1.927
  365    H    ILE  49           H        ILE  49   7.253 -12.391  -2.370
  366    HA   ILE  49           HA       ILE  49   8.530 -15.044  -1.881
  367    HB   ILE  49           HB       ILE  49   6.356 -13.970  -0.072
  368   HG12  ILE  49          1HG1      ILE  49   9.335 -13.649   0.391
  369   HG13  ILE  49          2HG1      ILE  49   8.122 -12.368   0.210
  370   HG21  ILE  49          1HG2      ILE  49   6.744 -16.427  -0.198
  371   HG22  ILE  49          2HG2      ILE  49   8.422 -16.166   0.325
  372   HG23  ILE  49          3HG2      ILE  49   7.059 -15.780   1.398
  373   HD11  ILE  49          3HD1      ILE  49   8.366 -14.292   2.545
  374   HD12  ILE  49          1HD1      ILE  49   8.643 -12.545   2.532
  375   HD13  ILE  49          2HD1      ILE  49   6.998 -13.174   2.296
  376    H    LYS  50           H        LYS  50   7.467 -16.699  -2.795
  377    HA   LYS  50           HA       LYS  50   5.207 -16.315  -4.503
  378    HB2  LYS  50           1HB      LYS  50   7.099 -18.075  -4.598
  379    HB3  LYS  50           2HB      LYS  50   6.160 -18.999  -3.426
  380    HG2  LYS  50           1HG      LYS  50   4.233 -19.014  -5.023
  381    HG3  LYS  50           2HG      LYS  50   5.192 -18.065  -6.174
  382    HD2  LYS  50           1HD      LYS  50   6.861 -19.906  -6.294
  383    HD3  LYS  50           2HD      LYS  50   5.889 -20.854  -5.144
  384    HE2  LYS  50           1HE      LYS  50   3.972 -20.800  -6.731
  385    HE3  LYS  50           2HE      LYS  50   4.942 -19.862  -7.874
  386    HZ1  LYS  50           3HZ      LYS  50   4.971 -22.229  -8.421
  387    HZ2  LYS  50           1HZ      LYS  50   5.582 -22.619  -6.961
  388    HZ3  LYS  50           2HZ      LYS  50   6.477 -21.754  -8.019
  389    H    ALA  51           H        ALA  51   5.404 -17.641  -1.205
  390    HA   ALA  51           HA       ALA  51   2.650 -18.352  -0.923
  391    HB1  ALA  51           1HB      ALA  51   4.682 -17.471   1.179
  392    HB2  ALA  51           2HB      ALA  51   3.154 -18.321   1.489
  393    HB3  ALA  51           3HB      ALA  51   4.444 -19.131   0.581
  394    H    ASN  52           H        ASN  52   4.335 -15.225  -0.325
  395    HA   ASN  52           HA       ASN  52   1.954 -13.869   0.610
  396    HB2  ASN  52           1HB      ASN  52   4.228 -13.128   1.179
  397    HB3  ASN  52           2HB      ASN  52   4.555 -12.797  -0.521
  398   HD21  ASN  52          1HD2      ASN  52   4.432 -10.668  -1.017
  399   HD22  ASN  52          2HD2      ASN  52   3.309  -9.541  -0.258
  400    H    LEU  53           H        LEU  53   3.354 -14.370  -2.683
  401    HA   LEU  53           HA       LEU  53   1.368 -12.757  -3.990
  402    HB2  LEU  53           1HB      LEU  53   3.433 -13.458  -5.120
  403    HB3  LEU  53           2HB      LEU  53   2.937 -15.149  -5.020
  404    HG   LEU  53           HG       LEU  53   0.963 -14.657  -6.463
  405   HD11  LEU  53          1HD1      LEU  53   0.909 -12.517  -7.725
  406   HD12  LEU  53          2HD1      LEU  53   2.227 -11.893  -6.705
  407   HD13  LEU  53          3HD1      LEU  53   0.635 -12.265  -6.003
  408   HD21  LEU  53          3HD2      LEU  53   3.525 -13.722  -7.767
  409   HD22  LEU  53          1HD2      LEU  53   2.133 -14.495  -8.537
  410   HD23  LEU  53          2HD2      LEU  53   3.142 -15.426  -7.412
  411    H    ASN  54           H        ASN  54   1.304 -16.223  -2.957
  412    HA   ASN  54           HA       ASN  54  -1.289 -16.761  -4.052
  413    HB2  ASN  54           1HB      ASN  54   0.290 -18.501  -3.321
  414    HB3  ASN  54           2HB      ASN  54   0.100 -18.002  -1.643
  415   HD21  ASN  54          1HD2      ASN  54  -1.639 -18.853  -0.464
  416   HD22  ASN  54          2HD2      ASN  54  -2.884 -19.842  -1.210
  417    H    VAL  55           H        VAL  55  -0.374 -15.407  -0.869
  418    HA   VAL  55           HA       VAL  55  -3.037 -15.087   0.171
  419    HB   VAL  55           HB       VAL  55  -0.444 -13.618   0.766
  420   HG11  VAL  55          1HG1      VAL  55  -2.233 -12.140   1.531
  421   HG12  VAL  55          2HG1      VAL  55  -3.077 -13.506   2.300
  422   HG13  VAL  55          3HG1      VAL  55  -1.508 -12.945   2.920
  423   HG21  VAL  55          3HG2      VAL  55  -0.534 -16.060   1.301
  424   HG22  VAL  55          1HG2      VAL  55  -0.404 -15.054   2.745
  425   HG23  VAL  55          2HG2      VAL  55  -1.970 -15.772   2.295
  426    H    HIS  56           H        HIS  56  -1.213 -13.163  -2.126
  427    HA   HIS  56           HA       HIS  56  -3.243 -11.036  -2.243
  428    HB2  HIS  56           1HB      HIS  56  -0.989 -10.424  -2.732
  429    HB3  HIS  56           2HB      HIS  56  -0.822 -11.687  -3.951
  430    HD1  HIS  56           1HD      HIS  56  -2.895  -8.457  -3.434
  431    HD2  HIS  56           2HD      HIS  56  -1.596 -11.143  -6.395
  432    HE1  HIS  56           1HE      HIS  56  -3.776  -7.544  -5.616
  433    H    LEU  57           H        LEU  57  -2.434 -13.855  -4.350
  434    HA   LEU  57           HA       LEU  57  -4.266 -13.285  -6.417
  435    HB2  LEU  57           1HB      LEU  57  -3.084 -15.840  -5.343
  436    HB3  LEU  57           2HB      LEU  57  -4.155 -15.874  -6.730
  437    HG   LEU  57           HG       LEU  57  -1.621 -14.180  -6.699
  438   HD11  LEU  57          1HD1      LEU  57  -0.597 -16.020  -7.995
  439   HD12  LEU  57          2HD1      LEU  57  -2.052 -17.012  -7.743
  440   HD13  LEU  57          3HD1      LEU  57  -1.035 -16.548  -6.363
  441   HD21  LEU  57          3HD2      LEU  57  -3.438 -15.209  -8.925
  442   HD22  LEU  57          1HD2      LEU  57  -1.886 -14.385  -9.157
  443   HD23  LEU  57          2HD2      LEU  57  -3.235 -13.515  -8.417
  444    H    ARG  58           H        ARG  58  -4.850 -15.079  -3.398
  445    HA   ARG  58           HA       ARG  58  -7.520 -15.902  -3.968
  446    HB2  ARG  58           1HB      ARG  58  -7.795 -16.251  -1.608
  447    HB3  ARG  58           2HB      ARG  58  -6.216 -16.825  -2.156
  448    HG2  ARG  58           1HG      ARG  58  -5.149 -14.796  -1.274
  449    HG3  ARG  58           2HG      ARG  58  -6.703 -14.183  -0.693
  450    HD2  ARG  58           1HD      ARG  58  -5.424 -16.814   0.151
  451    HD3  ARG  58           2HD      ARG  58  -5.257 -15.313   1.057
  452    HE   ARG  58           HE       ARG  58  -7.588 -17.080   0.951
  453   HH11  ARG  58          2HH1      ARG  58  -6.605 -13.816   1.779
  454   HH12  ARG  58          1HH1      ARG  58  -7.993 -13.566   2.802
  455   HH21  ARG  58          2HH2      ARG  58  -9.333 -16.682   2.256
  456   HH22  ARG  58          1HH2      ARG  58  -9.494 -15.148   3.057
  457    H    LYS  59           H        LYS  59  -6.408 -12.676  -3.294
  458    HA   LYS  59           HA       LYS  59  -8.993 -11.624  -2.438
  459    HB2  LYS  59           1HB      LYS  59  -6.628 -10.083  -3.586
  460    HB3  LYS  59           2HB      LYS  59  -7.988  -9.436  -2.664
  461    HG2  LYS  59           1HG      LYS  59  -7.257 -10.870  -0.707
  462    HG3  LYS  59           2HG      LYS  59  -5.812 -11.300  -1.643
  463    HD2  LYS  59           1HD      LYS  59  -5.164  -8.919  -1.767
  464    HD3  LYS  59           2HD      LYS  59  -6.599  -8.483  -0.810
  465    HE2  LYS  59           1HE      LYS  59  -5.792  -9.951   1.040
  466    HE3  LYS  59           2HE      LYS  59  -4.355 -10.351   0.094
  467    HZ1  LYS  59           3HZ      LYS  59  -5.072  -7.621   1.041
  468    HZ2  LYS  59           1HZ      LYS  59  -3.736  -7.984   0.172
  469    HZ3  LYS  59           2HZ      LYS  59  -3.910  -8.565   1.686
  470    H    HIS  60           H        HIS  60  -7.480 -12.166  -5.574
  471    HA   HIS  60           HA       HIS  60  -9.407 -10.640  -7.112
  472    HB2  HIS  60           1HB      HIS  60  -7.482 -12.872  -7.866
  473    HB3  HIS  60           2HB      HIS  60  -8.517 -12.052  -9.017
  474    HD1  HIS  60           1HD      HIS  60  -8.186  -9.208  -8.967
  475    HD2  HIS  60           2HD      HIS  60  -5.097 -11.756  -7.677
  476    HE1  HIS  60           1HE      HIS  60  -6.069  -7.826  -9.091
  477    H    THR  61           H        THR  61  -9.777 -13.558  -5.386
  478    HA   THR  61           HA       THR  61 -12.432 -13.980  -6.678
  479    HB   THR  61           HB       THR  61 -10.887 -15.798  -7.228
  480    HG1  THR  61           1HG      THR  61 -13.027 -16.459  -5.514
  481   HG21  THR  61          3HG2      THR  61  -9.458 -15.917  -5.280
  482   HG22  THR  61          1HG2      THR  61 -10.269 -17.470  -5.515
  483   HG23  THR  61          2HG2      THR  61 -10.824 -16.366  -4.236
  484    H    GLY  62           H        GLY  62 -11.389 -12.350  -4.277
  485    HA2  GLY  62           1HA      GLY  62 -12.730 -13.519  -1.942
  486    HA3  GLY  62           2HA      GLY  62 -11.910 -11.968  -2.044
  487    H    GLU  63           H        GLU  63 -13.992 -11.702  -0.633
  488    HA   GLU  63           HA       GLU  63 -15.996 -10.288  -2.302
  489    HB2  GLU  63           1HB      GLU  63 -16.903 -12.535  -1.810
  490    HB3  GLU  63           2HB      GLU  63 -16.708 -12.243  -0.079
  491    HG2  GLU  63           1HG      GLU  63 -18.340 -10.423  -0.155
  492    HG3  GLU  63           2HG      GLU  63 -18.410 -10.507  -1.917
  493    H    LYS  64           H        LYS  64 -16.678  -8.383  -1.462
  494    HA   LYS  64           HA       LYS  64 -15.247  -7.350   0.908
  495    HB2  LYS  64           1HB      LYS  64 -16.873  -5.990  -1.267
  496    HB3  LYS  64           2HB      LYS  64 -16.210  -5.149   0.140
  497    HG2  LYS  64           1HG      LYS  64 -13.927  -5.852  -0.471
  498    HG3  LYS  64           2HG      LYS  64 -14.558  -6.692  -1.903
  499    HD2  LYS  64           1HD      LYS  64 -15.397  -4.530  -2.804
  500    HD3  LYS  64           2HD      LYS  64 -14.850  -3.708  -1.339
  501    HE2  LYS  64           1HE      LYS  64 -13.180  -3.273  -2.947
  502    HE3  LYS  64           2HE      LYS  64 -12.500  -4.466  -1.835
  503    HZ1  LYS  64           3HZ      LYS  64 -13.653  -5.079  -4.512
  504    HZ2  LYS  64           1HZ      LYS  64 -12.997  -6.187  -3.503
  505    HZ3  LYS  64           2HZ      LYS  64 -12.062  -5.027  -4.168
  506    H    PHE  65           H        PHE  65 -16.117  -6.389   2.620
  507    HA   PHE  65           HA       PHE  65 -19.047  -6.608   3.171
  508    HB2  PHE  65           1HB      PHE  65 -16.734  -6.708   5.149
  509    HB3  PHE  65           2HB      PHE  65 -18.447  -6.790   5.538
  510    HD1  PHE  65           1HD      PHE  65 -15.606  -8.616   4.006
  511    HD2  PHE  65           2HD      PHE  65 -19.731  -8.847   5.224
  512    HE1  PHE  65           1HE      PHE  65 -15.532 -11.089   3.772
  513    HE2  PHE  65           2HE      PHE  65 -19.664 -11.317   4.973
  514    HZ   PHE  65           HZ       PHE  65 -17.561 -12.445   4.263
  515    H    ALA  66           H        ALA  66 -20.048  -4.716   3.762
  516    HA   ALA  66           HA       ALA  66 -18.406  -2.231   3.576
  517    HB1  ALA  66           1HB      ALA  66 -19.855  -2.722   1.626
  518    HB2  ALA  66           2HB      ALA  66 -21.273  -2.729   2.697
  519    HB3  ALA  66           3HB      ALA  66 -20.335  -1.238   2.473
  520    H    CYS  67           H        CYS  67 -18.699  -0.554   4.906
  521    HA   CYS  67           HA       CYS  67 -19.710  -0.984   7.536
  522    HB2  CYS  67           1HB      CYS  67 -17.767   0.377   6.848
  523    HB3  CYS  67           2HB      CYS  67 -18.858   1.557   6.107
  524    H    ASP  68           H        ASP  68 -21.370  -0.120   8.646
  525    HA   ASP  68           HA       ASP  68 -23.825   0.586   7.137
  526    HB2  ASP  68           1HB      ASP  68 -23.785  -1.213   8.896
  527    HB3  ASP  68           2HB      ASP  68 -23.447   0.030  10.100
  528    H    TYR  69           H        TYR  69 -21.272   2.205   8.643
  529    HA   TYR  69           HA       TYR  69 -22.917   4.582   9.435
  530    HB2  TYR  69           1HB      TYR  69 -20.230   3.641  10.424
  531    HB3  TYR  69           2HB      TYR  69 -21.114   5.035  11.022
  532    HD1  TYR  69           1HD      TYR  69 -23.170   4.727  12.396
  533    HD2  TYR  69           2HD      TYR  69 -20.780   1.383  11.088
  534    HE1  TYR  69           1HE      TYR  69 -24.279   3.270  14.083
  535    HE2  TYR  69           2HE      TYR  69 -21.890  -0.073  12.772
  536    HH   TYR  69           HH       TYR  69 -23.490  -0.215  14.404
  537    H    CYS  70           H        CYS  70 -20.297   3.548   7.339
  538    HA   CYS  70           HA       CYS  70 -20.171   6.209   6.128
  539    HB2  CYS  70           1HB      CYS  70 -17.810   6.480   6.241
  540    HB3  CYS  70           2HB      CYS  70 -18.431   6.286   7.867
  541    H    SER  71           H        SER  71 -18.198   5.868   4.309
  542    HA   SER  71           HA       SER  71 -19.361   3.951   2.426
  543    HB2  SER  71           1HB      SER  71 -17.093   5.933   2.044
  544    HB3  SER  71           2HB      SER  71 -17.960   5.059   0.767
  545    HG   SER  71           HG       SER  71 -18.771   7.188   1.062
  546    H    PHE  72           H        PHE  72 -17.083   3.399   4.747
  547    HA   PHE  72           HA       PHE  72 -14.863   2.301   3.383
  548    HB2  PHE  72           1HB      PHE  72 -14.849   2.975   5.716
  549    HB3  PHE  72           2HB      PHE  72 -16.030   1.737   6.118
  550    HD1  PHE  72           1HD      PHE  72 -12.493   2.307   5.097
  551    HD2  PHE  72           2HD      PHE  72 -15.387  -0.526   6.584
  552    HE1  PHE  72           1HE      PHE  72 -10.657   0.745   5.709
  553    HE2  PHE  72           2HE      PHE  72 -13.550  -2.071   7.212
  554    HZ   PHE  72           HZ       PHE  72 -11.183  -1.437   6.777
  555    H    THR  73           H        THR  73 -14.208   0.299   2.794
  556    HA   THR  73           HA       THR  73 -15.929  -2.063   3.229
  557    HB   THR  73           HB       THR  73 -15.229  -2.939   0.950
  558    HG1  THR  73           1HG      THR  73 -13.674  -1.292   0.512
  559   HG21  THR  73          3HG2      THR  73 -17.027  -1.804  -0.279
  560   HG22  THR  73          1HG2      THR  73 -17.114  -0.545   0.974
  561   HG23  THR  73          2HG2      THR  73 -17.529  -2.232   1.364
  562    H    CYS  74           H        CYS  74 -14.870  -3.980   3.522
  563    HA   CYS  74           HA       CYS  74 -11.986  -4.207   2.996
  564    HB2  CYS  74           1HB      CYS  74 -11.444  -4.967   5.274
  565    HB3  CYS  74           2HB      CYS  74 -12.053  -3.309   5.287
  566    HG   CYS  74           HG       CYS  74 -14.567  -3.974   5.810
  567    H    LEU  75           H        LEU  75 -11.264  -6.554   3.547
  568    HA   LEU  75           HA       LEU  75 -13.218  -8.245   2.144
  569    HB2  LEU  75           1HB      LEU  75 -10.574  -7.698   1.662
  570    HB3  LEU  75           2HB      LEU  75 -10.434  -9.203   2.558
  571    HG   LEU  75           HG       LEU  75 -12.119 -10.205   0.885
  572   HD11  LEU  75          1HD1      LEU  75 -13.062  -8.061   0.012
  573   HD12  LEU  75          2HD1      LEU  75 -12.349  -9.027  -1.283
  574   HD13  LEU  75          3HD1      LEU  75 -11.472  -7.625  -0.628
  575   HD21  LEU  75          3HD2      LEU  75  -9.698 -10.613   0.711
  576   HD22  LEU  75          1HD2      LEU  75  -9.493  -9.104  -0.208
  577   HD23  LEU  75          2HD2      LEU  75 -10.425 -10.453  -0.896
  578    H    SER  76           H        SER  76 -13.131  -7.823   5.230
  579    HA   SER  76           HA       SER  76 -13.974 -10.583   5.822
  580    HB2  SER  76           1HB      SER  76 -11.670 -10.763   6.463
  581    HB3  SER  76           2HB      SER  76 -11.716  -9.210   7.317
  582    HG   SER  76           HG       SER  76 -11.927 -11.199   8.632
  583    H    LYS  77           H        LYS  77 -15.717 -10.613   7.133
  584    HA   LYS  77           HA       LYS  77 -16.938  -8.233   8.187
  585    HB2  LYS  77           1HB      LYS  77 -18.515  -9.731   9.274
  586    HB3  LYS  77           2HB      LYS  77 -18.246 -10.177   7.592
  587    HG2  LYS  77           1HG      LYS  77 -16.764 -12.045   8.309
  588    HG3  LYS  77           2HG      LYS  77 -16.967 -11.561   9.997
  589    HD2  LYS  77           1HD      LYS  77 -18.383 -13.446   9.557
  590    HD3  LYS  77           2HD      LYS  77 -19.396 -12.027   9.856
  591    HE2  LYS  77           1HE      LYS  77 -19.741 -11.750   7.414
  592    HE3  LYS  77           2HE      LYS  77 -18.673 -13.126   7.097
  593    HZ1  LYS  77           3HZ      LYS  77 -21.246 -13.272   8.584
  594    HZ2  LYS  77           1HZ      LYS  77 -20.262 -14.543   8.289
  595    HZ3  LYS  77           2HZ      LYS  77 -21.011 -13.789   7.054
  596    H    GLY  78           H        GLY  78 -14.539 -10.386   9.564
  597    HA2  GLY  78           1HA      GLY  78 -14.750  -9.493  12.326
  598    HA3  GLY  78           2HA      GLY  78 -13.378 -10.316  11.566
  599    H    HIS  79           H        HIS  79 -12.683  -8.550   9.524
  600    HA   HIS  79           HA       HIS  79 -11.320  -6.412  10.893
  601    HB2  HIS  79           1HB      HIS  79 -10.590  -7.536   8.759
  602    HB3  HIS  79           2HB      HIS  79 -11.863  -6.660   7.910
  603    HD1  HIS  79           1HD      HIS  79  -8.334  -6.267   9.084
  604    HD2  HIS  79           2HD      HIS  79 -11.592  -3.805   8.067
  605    HE1  HIS  79           1HE      HIS  79  -7.379  -3.935   8.700
  606    H    LEU  80           H        LEU  80 -14.386  -6.512   9.021
  607    HA   LEU  80           HA       LEU  80 -14.883  -3.728   9.138
  608    HB2  LEU  80           1HB      LEU  80 -16.078  -5.347   7.647
  609    HB3  LEU  80           2HB      LEU  80 -16.911  -5.996   9.058
  610    HG   LEU  80           HG       LEU  80 -17.970  -3.790   9.470
  611   HD11  LEU  80          1HD1      LEU  80 -16.316  -2.253   8.504
  612   HD12  LEU  80          2HD1      LEU  80 -17.855  -2.050   7.696
  613   HD13  LEU  80          3HD1      LEU  80 -16.566  -2.961   6.887
  614   HD21  LEU  80          3HD2      LEU  80 -19.047  -5.517   8.025
  615   HD22  LEU  80          1HD2      LEU  80 -18.355  -4.697   6.605
  616   HD23  LEU  80          2HD2      LEU  80 -19.524  -3.857   7.646
  617    H    LYS  81           H        LYS  81 -15.875  -6.306  11.453
  618    HA   LYS  81           HA       LYS  81 -17.242  -4.615  13.293
  619    HB2  LYS  81           1HB      LYS  81 -17.185  -7.155  13.245
  620    HB3  LYS  81           2HB      LYS  81 -15.561  -7.086  13.916
  621    HG2  LYS  81           1HG      LYS  81 -17.098  -7.553  15.683
  622    HG3  LYS  81           2HG      LYS  81 -16.475  -5.922  15.937
  623    HD2  LYS  81           1HD      LYS  81 -18.577  -4.941  15.106
  624    HD3  LYS  81           2HD      LYS  81 -19.134  -6.532  14.575
  625    HE2  LYS  81           1HE      LYS  81 -20.301  -6.106  16.579
  626    HE3  LYS  81           2HE      LYS  81 -19.068  -7.307  16.973
  627    HZ1  LYS  81           3HZ      LYS  81 -19.152  -5.569  18.648
  628    HZ2  LYS  81           1HZ      LYS  81 -18.885  -4.396  17.547
  629    HZ3  LYS  81           2HZ      LYS  81 -17.702  -5.472  17.904
  630    H    VAL  82           H        VAL  82 -13.779  -5.381  13.041
  631    HA   VAL  82           HA       VAL  82 -12.964  -3.726  15.274
  632    HB   VAL  82           HB       VAL  82 -11.442  -4.972  12.957
  633   HG11  VAL  82          1HG1      VAL  82 -10.059  -3.135  13.663
  634   HG12  VAL  82          2HG1      VAL  82 -10.334  -3.506  15.385
  635   HG13  VAL  82          3HG1      VAL  82  -9.390  -4.605  14.352
  636   HG21  VAL  82          3HG2      VAL  82 -12.449  -6.541  14.628
  637   HG22  VAL  82          1HG2      VAL  82 -10.686  -6.555  14.673
  638   HG23  VAL  82          2HG2      VAL  82 -11.598  -5.679  15.922
  639    H    HIS  83           H        HIS  83 -13.432  -2.951  11.799
  640    HA   HIS  83           HA       HIS  83 -12.414  -0.239  11.986
  641    HB2  HIS  83           1HB      HIS  83 -12.731  -1.099   9.803
  642    HB3  HIS  83           2HB      HIS  83 -14.361  -1.648  10.141
  643    HD1  HIS  83           1HD      HIS  83 -12.504   1.598   9.299
  644    HD2  HIS  83           2HD      HIS  83 -16.370   0.066   9.868
  645    HE1  HIS  83           1HE      HIS  83 -14.088   3.425   8.538
  646    H    ILE  84           H        ILE  84 -15.711  -1.612  12.431
  647    HA   ILE  84           HA       ILE  84 -16.973   0.853  13.079
  648    HB   ILE  84           HB       ILE  84 -17.692  -2.016  13.755
  649   HG12  ILE  84          1HG1      ILE  84 -18.912  -0.112  11.697
  650   HG13  ILE  84          2HG1      ILE  84 -17.620  -1.228  11.306
  651   HG21  ILE  84          1HG2      ILE  84 -18.815  -0.573  15.394
  652   HG22  ILE  84          2HG2      ILE  84 -19.393   0.501  14.093
  653   HG23  ILE  84          3HG2      ILE  84 -19.991  -1.165  14.241
  654   HD11  ILE  84          3HD1      ILE  84 -19.045  -3.152  11.971
  655   HD12  ILE  84          1HD1      ILE  84 -20.401  -2.026  12.223
  656   HD13  ILE  84          2HD1      ILE  84 -19.690  -2.208  10.615
  657    H    GLU  85           H        GLU  85 -15.541  -1.581  15.292
  658    HA   GLU  85           HA       GLU  85 -16.125  -0.204  17.695
  659    HB2  GLU  85           1HB      GLU  85 -13.982  -2.206  16.906
  660    HB3  GLU  85           2HB      GLU  85 -14.099  -1.570  18.554
  661    HG2  GLU  85           1HG      GLU  85 -16.365  -2.376  18.801
  662    HG3  GLU  85           2HG      GLU  85 -16.426  -2.919  17.133
  663    H    ARG  86           H        ARG  86 -13.449   0.400  15.445
  664    HA   ARG  86           HA       ARG  86 -12.071   2.216  17.344
  665    HB2  ARG  86           1HB      ARG  86 -11.476   1.331  14.512
  666    HB3  ARG  86           2HB      ARG  86 -10.484   2.473  15.426
  667    HG2  ARG  86           1HG      ARG  86 -10.068   0.799  17.180
  668    HG3  ARG  86           2HG      ARG  86 -11.053  -0.394  16.328
  669    HD2  ARG  86           1HD      ARG  86  -8.570   0.971  15.242
  670    HD3  ARG  86           2HD      ARG  86  -8.621  -0.671  15.923
  671    HE   ARG  86           HE       ARG  86 -10.524  -0.825  13.992
  672   HH11  ARG  86          2HH1      ARG  86  -7.180   0.216  13.782
  673   HH12  ARG  86          1HH1      ARG  86  -7.041  -0.227  12.104
  674   HH21  ARG  86          2HH2      ARG  86 -10.262  -1.391  11.829
  675   HH22  ARG  86          1HH2      ARG  86  -8.742  -1.118  11.042
  676    H    VAL  87           H        VAL  87 -13.908   2.507  14.314
  677    HA   VAL  87           HA       VAL  87 -13.344   5.409  14.207
  678    HB   VAL  87           HB       VAL  87 -14.707   3.597  12.184
  679   HG11  VAL  87          1HG1      VAL  87 -14.170   5.406  10.570
  680   HG12  VAL  87          2HG1      VAL  87 -15.301   5.958  11.803
  681   HG13  VAL  87          3HG1      VAL  87 -13.589   6.424  11.905
  682   HG21  VAL  87          3HG2      VAL  87 -11.831   4.620  12.373
  683   HG22  VAL  87          1HG2      VAL  87 -12.353   2.927  12.506
  684   HG23  VAL  87          2HG2      VAL  87 -12.520   3.777  10.971
  685    H    HIS  88           H        HIS  88 -16.165   3.306  14.727
  686    HA   HIS  88           HA       HIS  88 -17.913   5.742  14.836
  687    HB2  HIS  88           1HB      HIS  88 -18.657   2.886  14.155
  688    HB3  HIS  88           2HB      HIS  88 -19.721   4.293  14.118
  689    HD1  HIS  88           1HD      HIS  88 -18.578   6.348  12.326
  690    HD2  HIS  88           2HD      HIS  88 -17.741   2.268  11.816
  691    HE1  HIS  88           1HE      HIS  88 -17.794   6.096   9.922
  692    H    LYS  89           H        LYS  89 -16.873   2.965  16.684
  693    HA   LYS  89           HA       LYS  89 -18.569   3.843  19.001
  694    HB2  LYS  89           1HB      LYS  89 -17.071   1.236  18.830
  695    HB3  LYS  89           2HB      LYS  89 -18.349   1.675  19.939
  696    HG2  LYS  89           1HG      LYS  89 -18.701   1.149  16.959
  697    HG3  LYS  89           2HG      LYS  89 -19.109   0.048  18.272
  698    HD2  LYS  89           1HD      LYS  89 -20.818   1.574  19.101
  699    HD3  LYS  89           2HD      LYS  89 -20.368   2.794  17.890
  700    HE2  LYS  89           1HE      LYS  89 -20.957   1.219  16.068
  701    HE3  LYS  89           2HE      LYS  89 -21.447   0.013  17.265
  702    HZ1  LYS  89           3HZ      LYS  89 -23.190   1.519  18.006
  703    HZ2  LYS  89           1HZ      LYS  89 -23.330   1.316  16.386
  704    HZ3  LYS  89           2HZ      LYS  89 -22.697   2.697  16.982
  705    H    LYS  90           H        LYS  90 -17.359   3.285  21.140
  706    HA   LYS  90           HA       LYS  90 -14.677   4.583  21.149
  707    HB2  LYS  90           1HB      LYS  90 -16.434   3.652  23.456
  708    HB3  LYS  90           2HB      LYS  90 -14.902   4.501  23.613
  709    HG2  LYS  90           1HG      LYS  90 -17.450   5.632  22.370
  710    HG3  LYS  90           2HG      LYS  90 -16.807   5.992  23.973
  711    HD2  LYS  90           1HD      LYS  90 -14.751   6.960  22.913
  712    HD3  LYS  90           2HD      LYS  90 -15.485   6.693  21.313
  713    HE2  LYS  90           1HE      LYS  90 -17.410   8.117  21.953
  714    HE3  LYS  90           2HE      LYS  90 -16.692   8.383  23.546
  715    HZ1  LYS  90           3HZ      LYS  90 -14.807   9.467  22.443
  716    HZ2  LYS  90           1HZ      LYS  90 -16.195  10.217  22.036
  717    HZ3  LYS  90           2HZ      LYS  90 -15.469   9.222  20.969
  718    H    ILE  91           H        ILE  91 -12.820   3.571  21.795
  719    HA   ILE  91           HA       ILE  91 -12.677   0.702  21.297
  720    HB   ILE  91           HB       ILE  91 -10.532   2.726  22.037
  721   HG12  ILE  91          1HG1      ILE  91 -11.244   1.409  19.371
  722   HG13  ILE  91          2HG1      ILE  91 -11.657   3.064  19.812
  723   HG21  ILE  91          1HG2      ILE  91 -10.229  -0.170  21.096
  724   HG22  ILE  91          2HG2      ILE  91  -8.903   0.984  21.357
  725   HG23  ILE  91          3HG2      ILE  91  -9.848   0.436  22.724
  726   HD11  ILE  91          3HD1      ILE  91  -9.213   3.593  20.025
  727   HD12  ILE  91          1HD1      ILE  91  -8.862   1.983  19.342
  728   HD13  ILE  91          2HD1      ILE  91  -9.758   3.172  18.389
  729    H    LYS  92           H        LYS  92 -12.563  -0.882  22.706
  730    HA   LYS  92           HA       LYS  92 -13.062  -0.385  25.570
  731    HB2  LYS  92           1HB      LYS  92 -13.084  -2.936  23.909
  732    HB3  LYS  92           2HB      LYS  92 -13.456  -2.841  25.634
  733    HG2  LYS  92           1HG      LYS  92 -15.359  -1.314  25.161
  734    HG3  LYS  92           2HG      LYS  92 -14.980  -1.359  23.440
  735    HD2  LYS  92           1HD      LYS  92 -16.837  -2.850  23.872
  736    HD3  LYS  92           2HD      LYS  92 -15.432  -3.766  23.346
  737    HE2  LYS  92           1HE      LYS  92 -16.504  -4.991  25.103
  738    HE3  LYS  92           2HE      LYS  92 -14.957  -4.405  25.711
  739    HZ1  LYS  92           3HZ      LYS  92 -16.170  -2.620  26.861
  740    HZ2  LYS  92           1HZ      LYS  92 -16.758  -4.069  27.316
  741    HZ3  LYS  92           2HZ      LYS  92 -17.599  -3.149  26.266
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  21.939  29.964  16.465
    2    H2   GLY   1           2H       GLY   1  22.978  29.924  15.199
    3    H3   GLY   1           3H       GLY   1  23.216  28.936  16.482
    4    HA2  GLY   1           1HA      GLY   1  21.179  27.733  16.017
    5    HA3  GLY   1           2HA      GLY   1  20.938  28.794  14.617
    6    H    SER   2           H        SER   2  20.975  27.047  13.152
    7    HA   SER   2           HA       SER   2  23.025  25.073  12.987
    8    HB2  SER   2           1HB      SER   2  21.180  26.096  10.798
    9    HB3  SER   2           2HB      SER   2  22.073  24.563  10.795
   10    HG   SER   2           HG       SER   2  19.885  24.316  11.490
   11    H    SER   3           H        SER   3  24.627  24.728  11.419
   12    HA   SER   3           HA       SER   3  25.947  27.171  10.292
   13    HB2  SER   3           1HB      SER   3  27.166  25.868  12.055
   14    HB3  SER   3           2HB      SER   3  27.163  24.468  10.966
   15    HG   SER   3           HG       SER   3  29.093  25.730  10.812
   16    H    GLY   4           H        GLY   4  27.269  26.663   8.285
   17    HA2  GLY   4           1HA      GLY   4  25.689  25.545   6.137
   18    HA3  GLY   4           2HA      GLY   4  27.389  26.024   6.065
   19    H    SER   5           H        SER   5  27.900  24.082   8.416
   20    HA   SER   5           HA       SER   5  28.231  21.585   6.880
   21    HB2  SER   5           1HB      SER   5  29.637  20.925   8.801
   22    HB3  SER   5           2HB      SER   5  30.150  22.450   8.062
   23    HG   SER   5           HG       SER   5  30.085  22.566  10.364
   24    H    SER   6           H        SER   6  25.790  22.800   8.919
   25    HA   SER   6           HA       SER   6  25.193  20.385  10.416
   26    HB2  SER   6           1HB      SER   6  23.452  22.807   9.833
   27    HB3  SER   6           2HB      SER   6  23.114  21.548  11.027
   28    HG   SER   6           HG       SER   6  25.016  22.143  12.137
   29    H    GLY   7           H        GLY   7  23.327  19.053  10.221
   30    HA2  GLY   7           1HA      GLY   7  21.672  17.834   9.140
   31    HA3  GLY   7           2HA      GLY   7  21.656  19.017   7.839
   32    H    LYS   8           H        LYS   8  21.339  17.045   6.558
   33    HA   LYS   8           HA       LYS   8  23.880  15.922   5.524
   34    HB2  LYS   8           1HB      LYS   8  23.006  14.417   7.331
   35    HB3  LYS   8           2HB      LYS   8  21.517  14.190   6.414
   36    HG2  LYS   8           1HG      LYS   8  22.686  13.032   4.648
   37    HG3  LYS   8           2HG      LYS   8  24.270  13.473   5.305
   38    HD2  LYS   8           1HD      LYS   8  22.250  11.702   6.751
   39    HD3  LYS   8           2HD      LYS   8  23.537  11.091   5.699
   40    HE2  LYS   8           1HE      LYS   8  25.241  12.192   7.146
   41    HE3  LYS   8           2HE      LYS   8  23.958  12.750   8.226
   42    HZ1  LYS   8           3HZ      LYS   8  23.399  10.418   8.661
   43    HZ2  LYS   8           1HZ      LYS   8  24.961  10.696   9.037
   44    HZ3  LYS   8           2HZ      LYS   8  24.587   9.900   7.664
   45    H    ILE   9           H        ILE   9  23.661  14.821   3.514
   46    HA   ILE   9           HA       ILE   9  21.368  15.549   1.776
   47    HB   ILE   9           HB       ILE   9  24.289  16.103   1.085
   48   HG12  ILE   9          1HG1      ILE   9  22.057  18.110   1.661
   49   HG13  ILE   9          2HG1      ILE   9  23.409  17.757   2.739
   50   HG21  ILE   9          1HG2      ILE   9  22.987  15.439  -0.872
   51   HG22  ILE   9          2HG2      ILE   9  21.726  16.632  -0.476
   52   HG23  ILE   9          3HG2      ILE   9  23.357  17.139  -0.970
   53   HD11  ILE   9          3HD1      ILE   9  25.009  18.530   1.006
   54   HD12  ILE   9          1HD1      ILE   9  23.620  19.109   0.044
   55   HD13  ILE   9          2HD1      ILE   9  23.928  19.776   1.653
   56    H    PHE  10           H        PHE  10  21.015  14.024   0.137
   57    HA   PHE  10           HA       PHE  10  22.659  11.518   0.264
   58    HB2  PHE  10           1HB      PHE  10  19.652  11.858  -0.034
   59    HB3  PHE  10           2HB      PHE  10  20.522  10.335  -0.101
   60    HD1  PHE  10           1HD      PHE  10  19.452  13.098   2.129
   61    HD2  PHE  10           2HD      PHE  10  21.392   9.255   1.907
   62    HE1  PHE  10           1HE      PHE  10  19.297  12.881   4.599
   63    HE2  PHE  10           2HE      PHE  10  21.237   9.039   4.375
   64    HZ   PHE  10           HZ       PHE  10  20.176  10.836   5.722
   65    H    THR  11           H        THR  11  23.321  10.626  -1.667
   66    HA   THR  11           HA       THR  11  22.440  11.961  -4.194
   67    HB   THR  11           HB       THR  11  25.294  11.318  -3.392
   68    HG1  THR  11           1HG      THR  11  25.508  13.531  -3.154
   69   HG21  THR  11          3HG2      THR  11  25.863  12.782  -5.318
   70   HG22  THR  11          1HG2      THR  11  24.136  12.903  -5.724
   71   HG23  THR  11          2HG2      THR  11  24.978  11.340  -5.829
   72    H    CYS  12           H        CYS  12  22.149  10.720  -5.924
   73    HA   CYS  12           HA       CYS  12  22.288   7.811  -5.761
   74    HB2  CYS  12           1HB      CYS  12  20.442   8.960  -6.827
   75    HB3  CYS  12           2HB      CYS  12  21.547   9.760  -7.967
   76    H    GLU  13           H        GLU  13  23.916   6.555  -6.372
   77    HA   GLU  13           HA       GLU  13  26.354   7.696  -7.545
   78    HB2  GLU  13           1HB      GLU  13  27.377   5.582  -7.090
   79    HB3  GLU  13           2HB      GLU  13  26.475   6.116  -5.675
   80    HG2  GLU  13           1HG      GLU  13  24.614   4.562  -6.297
   81    HG3  GLU  13           2HG      GLU  13  25.555   4.013  -7.688
   82    H    TYR  14           H        TYR  14  23.520   6.491  -8.907
   83    HA   TYR  14           HA       TYR  14  24.870   5.270 -11.269
   84    HB2  TYR  14           1HB      TYR  14  21.981   5.251 -10.385
   85    HB3  TYR  14           2HB      TYR  14  22.626   4.414 -11.786
   86    HD1  TYR  14           2HD      TYR  14  24.203   2.481 -11.491
   87    HD2  TYR  14           1HD      TYR  14  22.173   4.331  -8.164
   88    HE1  TYR  14           2HE      TYR  14  24.650   0.463 -10.091
   89    HE2  TYR  14           1HE      TYR  14  22.626   2.318  -6.768
   90    HH   TYR  14           HH       TYR  14  23.564   0.229  -6.682
   91    H    CYS  15           H        CYS  15  22.766   8.016 -10.435
   92    HA   CYS  15           HA       CYS  15  23.193   9.077 -13.176
   93    HB2  CYS  15           1HB      CYS  15  20.936   9.767 -13.424
   94    HB3  CYS  15           2HB      CYS  15  21.015   8.025 -13.174
   95    H    ASN  16           H        ASN  16  24.026   9.698 -10.178
   96    HA   ASN  16           HA       ASN  16  24.744  11.448  -9.009
   97    HB2  ASN  16           1HB      ASN  16  26.006  11.600 -11.210
   98    HB3  ASN  16           2HB      ASN  16  24.933  12.933 -11.638
   99   HD21  ASN  16          1HD2      ASN  16  26.783  14.355 -11.742
  100   HD22  ASN  16          2HD2      ASN  16  27.567  14.897 -10.264
  101    H    LYS  17           H        LYS  17  21.766  11.393  -9.474
  102    HA   LYS  17           HA       LYS  17  20.864  14.145  -9.078
  103    HB2  LYS  17           1HB      LYS  17  19.579  11.418  -8.720
  104    HB3  LYS  17           2HB      LYS  17  18.744  12.928  -8.289
  105    HG2  LYS  17           1HG      LYS  17  18.924  13.740 -10.597
  106    HG3  LYS  17           2HG      LYS  17  19.860  12.298 -11.037
  107    HD2  LYS  17           1HD      LYS  17  17.868  10.899 -10.244
  108    HD3  LYS  17           2HD      LYS  17  16.966  12.398 -10.049
  109    HE2  LYS  17           1HE      LYS  17  16.420  11.250 -12.126
  110    HE3  LYS  17           2HE      LYS  17  17.102  12.851 -12.440
  111    HZ1  LYS  17           3HZ      LYS  17  18.775  10.392 -12.507
  112    HZ2  LYS  17           1HZ      LYS  17  19.157  11.858 -13.087
  113    HZ3  LYS  17           2HZ      LYS  17  18.018  10.974 -13.854
  114    H    VAL  18           H        VAL  18  20.037  15.028  -7.222
  115    HA   VAL  18           HA       VAL  18  21.184  14.016  -4.643
  116    HB   VAL  18           HB       VAL  18  20.941  16.912  -5.522
  117   HG11  VAL  18          1HG1      VAL  18  20.698  16.703  -3.081
  118   HG12  VAL  18          2HG1      VAL  18  22.120  15.634  -3.020
  119   HG13  VAL  18          3HG1      VAL  18  22.295  17.346  -3.460
  120   HG21  VAL  18          3HG2      VAL  18  22.797  15.774  -6.704
  121   HG22  VAL  18          1HG2      VAL  18  23.422  16.889  -5.488
  122   HG23  VAL  18          2HG2      VAL  18  23.401  15.144  -5.155
  123    H    PHE  19           H        PHE  19  19.962  14.008  -2.890
  124    HA   PHE  19           HA       PHE  19  17.115  14.879  -2.988
  125    HB2  PHE  19           1HB      PHE  19  18.179  12.178  -2.067
  126    HB3  PHE  19           2HB      PHE  19  16.505  12.702  -2.032
  127    HD1  PHE  19           2HD      PHE  19  15.195  12.940  -4.151
  128    HD2  PHE  19           1HD      PHE  19  19.229  11.426  -4.135
  129    HE1  PHE  19           2HE      PHE  19  14.904  12.139  -6.486
  130    HE2  PHE  19           1HE      PHE  19  18.934  10.622  -6.466
  131    HZ   PHE  19           HZ       PHE  19  16.783  11.011  -7.665
  132    H    LYS  20           H        LYS  20  16.160  15.326  -0.979
  133    HA   LYS  20           HA       LYS  20  18.020  16.342   1.003
  134    HB2  LYS  20           1HB      LYS  20  15.991  17.547   0.210
  135    HB3  LYS  20           2HB      LYS  20  14.981  16.320   0.955
  136    HG2  LYS  20           1HG      LYS  20  15.004  18.297   2.298
  137    HG3  LYS  20           2HG      LYS  20  15.767  17.007   3.204
  138    HD2  LYS  20           1HD      LYS  20  17.429  19.029   1.646
  139    HD3  LYS  20           2HD      LYS  20  16.764  19.416   3.238
  140    HE2  LYS  20           1HE      LYS  20  17.897  17.442   4.225
  141    HE3  LYS  20           2HE      LYS  20  18.617  17.068   2.666
  142    HZ1  LYS  20           3HZ      LYS  20  19.144  19.502   4.263
  143    HZ2  LYS  20           1HZ      LYS  20  19.718  19.268   2.746
  144    HZ3  LYS  20           2HZ      LYS  20  20.175  18.257   3.952
  145    H    PHE  21           H        PHE  21  16.033  13.460   0.834
  146    HA   PHE  21           HA       PHE  21  16.788  12.761   3.644
  147    HB2  PHE  21           1HB      PHE  21  14.118  12.195   2.325
  148    HB3  PHE  21           2HB      PHE  21  14.587  11.822   3.975
  149    HD1  PHE  21           2HD      PHE  21  15.153  13.789   5.566
  150    HD2  PHE  21           1HD      PHE  21  13.103  14.285   1.804
  151    HE1  PHE  21           2HE      PHE  21  14.277  15.986   6.331
  152    HE2  PHE  21           1HE      PHE  21  12.227  16.479   2.572
  153    HZ   PHE  21           HZ       PHE  21  12.810  17.330   4.836
  154    H    LYS  22           H        LYS  22  16.958  10.594   4.182
  155    HA   LYS  22           HA       LYS  22  18.206   8.870   2.316
  156    HB2  LYS  22           1HB      LYS  22  18.359   8.901   4.871
  157    HB3  LYS  22           2HB      LYS  22  16.824   8.034   4.908
  158    HG2  LYS  22           1HG      LYS  22  17.852   6.175   3.608
  159    HG3  LYS  22           2HG      LYS  22  19.374   7.087   3.513
  160    HD2  LYS  22           1HD      LYS  22  19.508   7.068   6.016
  161    HD3  LYS  22           2HD      LYS  22  18.025   6.090   6.066
  162    HE2  LYS  22           1HE      LYS  22  19.166   4.334   4.706
  163    HE3  LYS  22           2HE      LYS  22  20.639   5.316   4.692
  164    HZ1  LYS  22           3HZ      LYS  22  20.716   3.626   6.438
  165    HZ2  LYS  22           1HZ      LYS  22  19.357   4.201   7.134
  166    HZ3  LYS  22           2HZ      LYS  22  20.717   5.107   7.122
  167    H    HIS  23           H        HIS  23  14.820   8.882   3.460
  168    HA   HIS  23           HA       HIS  23  14.023   6.546   2.006
  169    HB2  HIS  23           1HB      HIS  23  11.740   7.263   2.487
  170    HB3  HIS  23           2HB      HIS  23  12.772   7.298   3.905
  171    HD1  HIS  23           1HD      HIS  23  12.790   9.564   5.238
  172    HD2  HIS  23           2HD      HIS  23  11.083   9.766   1.397
  173    HE1  HIS  23           1HE      HIS  23  11.737  11.875   5.044
  174    H    SER  24           H        SER  24  14.176   9.975   1.009
  175    HA   SER  24           HA       SER  24  12.772   9.676  -1.474
  176    HB2  SER  24           1HB      SER  24  15.009  11.613  -0.780
  177    HB3  SER  24           2HB      SER  24  13.854  11.775  -2.111
  178    HG   SER  24           HG       SER  24  12.193  11.996  -0.584
  179    H    LEU  25           H        LEU  25  16.303   9.483  -0.700
  180    HA   LEU  25           HA       LEU  25  17.056   8.708  -3.360
  181    HB2  LEU  25           1HB      LEU  25  18.683   9.638  -1.817
  182    HB3  LEU  25           2HB      LEU  25  18.431   8.311  -0.678
  183    HG   LEU  25           HG       LEU  25  19.363   6.702  -2.317
  184   HD11  LEU  25          1HD1      LEU  25  20.534   7.486  -4.329
  185   HD12  LEU  25          2HD1      LEU  25  19.975   9.146  -4.036
  186   HD13  LEU  25          3HD1      LEU  25  18.818   7.861  -4.448
  187   HD21  LEU  25          3HD2      LEU  25  20.852   7.809  -0.683
  188   HD22  LEU  25          1HD2      LEU  25  21.207   9.064  -1.897
  189   HD23  LEU  25          2HD2      LEU  25  21.682   7.384  -2.191
  190    H    GLN  26           H        GLN  26  16.271   6.683  -0.454
  191    HA   GLN  26           HA       GLN  26  16.791   4.179  -1.703
  192    HB2  GLN  26           1HB      GLN  26  14.975   5.036   0.569
  193    HB3  GLN  26           2HB      GLN  26  15.038   3.362   0.050
  194    HG2  GLN  26           1HG      GLN  26  17.482   4.978   0.928
  195    HG3  GLN  26           2HG      GLN  26  16.564   3.910   1.983
  196   HE21  GLN  26          1HE2      GLN  26  19.325   3.519   1.604
  197   HE22  GLN  26          2HE2      GLN  26  19.534   2.025   0.703
  198    H    ALA  27           H        ALA  27  13.742   6.088  -1.709
  199    HA   ALA  27           HA       ALA  27  12.304   4.128  -3.270
  200    HB1  ALA  27           1HB      ALA  27  11.230   5.757  -1.794
  201    HB2  ALA  27           2HB      ALA  27  11.805   7.091  -2.827
  202    HB3  ALA  27           3HB      ALA  27  10.640   5.905  -3.466
  203    H    HIS  28           H        HIS  28  14.367   6.911  -4.175
  204    HA   HIS  28           HA       HIS  28  13.808   6.782  -7.006
  205    HB2  HIS  28           1HB      HIS  28  14.794   8.770  -6.097
  206    HB3  HIS  28           2HB      HIS  28  16.130   7.872  -5.377
  207    HD1  HIS  28           1HD      HIS  28  14.823   8.660  -8.943
  208    HD2  HIS  28           2HD      HIS  28  18.264   7.499  -6.824
  209    HE1  HIS  28           1HE      HIS  28  16.686   8.566 -10.654
  210    H    LEU  29           H        LEU  29  16.318   5.226  -4.963
  211    HA   LEU  29           HA       LEU  29  17.844   4.058  -6.995
  212    HB2  LEU  29           1HB      LEU  29  17.319   3.325  -4.103
  213    HB3  LEU  29           2HB      LEU  29  18.375   2.329  -5.087
  214    HG   LEU  29           HG       LEU  29  18.853   5.311  -4.704
  215   HD11  LEU  29          1HD1      LEU  29  20.076   2.933  -3.237
  216   HD12  LEU  29          2HD1      LEU  29  18.981   4.141  -2.534
  217   HD13  LEU  29          3HD1      LEU  29  20.590   4.628  -3.083
  218   HD21  LEU  29          3HD2      LEU  29  21.156   4.724  -5.409
  219   HD22  LEU  29          1HD2      LEU  29  19.984   4.392  -6.680
  220   HD23  LEU  29          2HD2      LEU  29  20.629   3.052  -5.709
  221    H    ARG  30           H        ARG  30  14.691   2.981  -5.963
  222    HA   ARG  30           HA       ARG  30  14.682   0.265  -6.734
  223    HB2  ARG  30           1HB      ARG  30  12.524   2.381  -7.127
  224    HB3  ARG  30           2HB      ARG  30  12.262   0.638  -7.250
  225    HG2  ARG  30           1HG      ARG  30  12.944   0.338  -4.888
  226    HG3  ARG  30           2HG      ARG  30  13.167   2.084  -4.719
  227    HD2  ARG  30           1HD      ARG  30  10.552   0.693  -5.428
  228    HD3  ARG  30           2HD      ARG  30  10.989   1.315  -3.826
  229    HE   ARG  30           HE       ARG  30  11.292   3.469  -5.608
  230   HH11  ARG  30          2HH1      ARG  30   8.581   1.565  -4.456
  231   HH12  ARG  30          1HH1      ARG  30   7.449   2.858  -4.739
  232   HH21  ARG  30          2HH2      ARG  30   9.823   5.030  -5.980
  233   HH22  ARG  30          1HH2      ARG  30   8.145   4.788  -5.579
  234    H    ILE  31           H        ILE  31  14.798   3.068  -8.919
  235    HA   ILE  31           HA       ILE  31  14.125   1.508 -11.278
  236    HB   ILE  31           HB       ILE  31  14.556   3.367 -12.550
  237   HG12  ILE  31          1HG1      ILE  31  16.069   4.656 -10.261
  238   HG13  ILE  31          2HG1      ILE  31  16.714   4.101 -11.802
  239   HG21  ILE  31          1HG2      ILE  31  12.530   3.370 -11.048
  240   HG22  ILE  31          2HG2      ILE  31  13.397   4.494  -9.975
  241   HG23  ILE  31          3HG2      ILE  31  13.009   4.960 -11.641
  242   HD11  ILE  31          3HD1      ILE  31  16.515   6.462 -11.950
  243   HD12  ILE  31          1HD1      ILE  31  15.252   5.756 -12.982
  244   HD13  ILE  31          2HD1      ILE  31  14.831   6.436 -11.387
  245    H    HIS  32           H        HIS  32  17.046   2.022  -9.523
  246    HA   HIS  32           HA       HIS  32  18.803   1.164 -11.765
  247    HB2  HIS  32           1HB      HIS  32  19.487   2.252  -9.013
  248    HB3  HIS  32           2HB      HIS  32  20.619   1.927 -10.314
  249    HD1  HIS  32           1HD      HIS  32  19.865   3.517 -12.702
  250    HD2  HIS  32           2HD      HIS  32  19.034   4.754  -8.780
  251    HE1  HIS  32           1HE      HIS  32  19.678   6.051 -12.802
  252    H    THR  33           H        THR  33  17.645  -0.000  -8.598
  253    HA   THR  33           HA       THR  33  19.755  -1.963  -8.341
  254    HB   THR  33           HB       THR  33  18.533  -2.688  -6.306
  255    HG1  THR  33           1HG      THR  33  16.850  -1.322  -5.621
  256   HG21  THR  33          3HG2      THR  33  18.990  -0.628  -5.033
  257   HG22  THR  33          1HG2      THR  33  19.093   0.302  -6.545
  258   HG23  THR  33          2HG2      THR  33  20.285  -0.965  -6.194
  259    H    ASN  34           H        ASN  34  16.354  -2.921  -7.905
  260    HA   ASN  34           HA       ASN  34  16.511  -4.975  -9.998
  261    HB2  ASN  34           1HB      ASN  34  17.858  -5.816  -7.955
  262    HB3  ASN  34           2HB      ASN  34  16.329  -5.854  -7.081
  263   HD21  ASN  34          1HD2      ASN  34  17.017  -8.193  -6.872
  264   HD22  ASN  34          2HD2      ASN  34  16.569  -9.270  -8.187
  265    H    GLU  35           H        GLU  35  14.567  -6.348 -10.055
  266    HA   GLU  35           HA       GLU  35  12.074  -4.932  -9.186
  267    HB2  GLU  35           1HB      GLU  35  12.596  -6.925 -11.423
  268    HB3  GLU  35           2HB      GLU  35  10.991  -6.377 -10.927
  269    HG2  GLU  35           1HG      GLU  35  11.571  -4.047 -11.472
  270    HG3  GLU  35           2HG      GLU  35  13.205  -4.540 -11.934
  271    H    LYS  36           H        LYS  36  10.299  -6.184  -8.413
  272    HA   LYS  36           HA       LYS  36  10.985  -8.421  -6.649
  273    HB2  LYS  36           1HB      LYS  36   8.415  -6.946  -7.278
  274    HB3  LYS  36           2HB      LYS  36   8.485  -8.339  -6.194
  275    HG2  LYS  36           1HG      LYS  36  10.101  -7.161  -4.741
  276    HG3  LYS  36           2HG      LYS  36  10.062  -5.755  -5.823
  277    HD2  LYS  36           1HD      LYS  36   7.624  -5.496  -5.392
  278    HD3  LYS  36           2HD      LYS  36   7.684  -6.883  -4.285
  279    HE2  LYS  36           1HE      LYS  36   9.322  -5.688  -2.861
  280    HE3  LYS  36           2HE      LYS  36   9.283  -4.306  -3.964
  281    HZ1  LYS  36           3HZ      LYS  36   6.946  -5.312  -2.421
  282    HZ2  LYS  36           1HZ      LYS  36   6.919  -4.030  -3.436
  283    HZ3  LYS  36           2HZ      LYS  36   7.803  -3.968  -2.065
  284    HA   PRO  37           HA       PRO  37  10.394 -11.330  -9.936
  285    HB2  PRO  37           1HB      PRO  37  10.576 -13.717  -8.570
  286    HB3  PRO  37           2HB      PRO  37  11.951 -12.626  -8.887
  287    HG2  PRO  37           1HG      PRO  37  10.269 -12.798  -6.373
  288    HG3  PRO  37           2HG      PRO  37  12.055 -12.792  -6.508
  289    HD2  PRO  37           1HD      PRO  37  10.681 -10.522  -5.954
  290    HD3  PRO  37           2HD      PRO  37  12.091 -10.489  -7.051
  291    H    TYR  38           H        TYR  38   8.277 -11.867  -7.079
  292    HA   TYR  38           HA       TYR  38   6.525 -13.619  -8.653
  293    HB2  TYR  38           1HB      TYR  38   6.396 -12.811  -5.737
  294    HB3  TYR  38           2HB      TYR  38   5.341 -13.968  -6.523
  295    HD1  TYR  38           1HD      TYR  38   6.468 -15.948  -7.812
  296    HD2  TYR  38           2HD      TYR  38   8.435 -13.573  -4.814
  297    HE1  TYR  38           1HE      TYR  38   8.148 -17.769  -7.468
  298    HE2  TYR  38           2HE      TYR  38  10.112 -15.381  -4.455
  299    HH   TYR  38           HH       TYR  38  10.817 -17.474  -5.091
  300    H    LYS  39           H        LYS  39   5.968 -12.073 -10.181
  301    HA   LYS  39           HA       LYS  39   4.206  -9.811  -9.539
  302    HB2  LYS  39           1HB      LYS  39   5.171 -11.024 -12.146
  303    HB3  LYS  39           2HB      LYS  39   4.057  -9.650 -12.059
  304    HG2  LYS  39           1HG      LYS  39   5.674  -8.307 -10.852
  305    HG3  LYS  39           2HG      LYS  39   6.799  -9.670 -10.731
  306    HD2  LYS  39           1HD      LYS  39   7.025  -9.703 -13.193
  307    HD3  LYS  39           2HD      LYS  39   5.891  -8.339 -13.320
  308    HE2  LYS  39           1HE      LYS  39   7.427  -6.951 -11.930
  309    HE3  LYS  39           2HE      LYS  39   8.563  -8.302 -11.834
  310    HZ1  LYS  39           3HZ      LYS  39   9.168  -6.716 -13.591
  311    HZ2  LYS  39           1HZ      LYS  39   7.742  -6.946 -14.352
  312    HZ3  LYS  39           2HZ      LYS  39   8.821  -8.174 -14.251
  313    H    CYS  40           H        CYS  40   2.087  -9.586  -9.900
  314    HA   CYS  40           HA       CYS  40   0.405 -11.924  -9.798
  315    HB2  CYS  40           1HB      CYS  40  -0.065  -9.937  -8.549
  316    HB3  CYS  40           2HB      CYS  40  -0.175  -8.964 -10.031
  317    HA   PRO  41           HA       PRO  41  -0.279 -12.173 -14.283
  318    HB2  PRO  41           1HB      PRO  41  -2.208 -14.095 -14.348
  319    HB3  PRO  41           2HB      PRO  41  -0.508 -14.456 -13.915
  320    HG2  PRO  41           1HG      PRO  41  -2.840 -13.966 -12.032
  321    HG3  PRO  41           2HG      PRO  41  -1.651 -15.306 -11.996
  322    HD2  PRO  41           1HD      PRO  41  -1.395 -13.046 -10.462
  323    HD3  PRO  41           2HD      PRO  41   0.025 -13.917 -11.114
  324    H    GLN  42           H        GLN  42  -2.452 -10.923 -11.920
  325    HA   GLN  42           HA       GLN  42  -4.478 -10.156 -13.994
  326    HB2  GLN  42           1HB      GLN  42  -4.796 -10.728 -11.034
  327    HB3  GLN  42           2HB      GLN  42  -6.052 -10.021 -12.054
  328    HG2  GLN  42           1HG      GLN  42  -5.994 -12.023 -13.523
  329    HG3  GLN  42           2HG      GLN  42  -4.768 -12.753 -12.483
  330   HE21  GLN  42          1HE2      GLN  42  -8.184 -11.606 -12.529
  331   HE22  GLN  42          2HE2      GLN  42  -8.675 -12.647 -11.200
  332    H    CYS  43           H        CYS  43  -2.327  -8.724 -11.491
  333    HA   CYS  43           HA       CYS  43  -3.139  -6.078 -12.531
  334    HB2  CYS  43           1HB      CYS  43  -3.613  -5.171 -10.362
  335    HB3  CYS  43           2HB      CYS  43  -4.644  -6.563 -10.633
  336    H    SER  44           H        SER  44  -1.797  -4.384 -11.051
  337    HA   SER  44           HA       SER  44   0.928  -4.696 -11.921
  338    HB2  SER  44           1HB      SER  44  -0.286  -2.556 -10.136
  339    HB3  SER  44           2HB      SER  44   1.246  -2.450 -11.025
  340    HG   SER  44           HG       SER  44  -0.474  -1.424 -12.149
  341    H    TYR  45           H        TYR  45  -0.417  -6.047  -9.196
  342    HA   TYR  45           HA       TYR  45   1.407  -5.517  -7.097
  343    HB2  TYR  45           1HB      TYR  45  -0.739  -6.557  -6.754
  344    HB3  TYR  45           2HB      TYR  45  -0.332  -7.897  -7.809
  345    HD1  TYR  45           1HD      TYR  45   1.426  -9.610  -7.023
  346    HD2  TYR  45           2HD      TYR  45  -0.112  -6.515  -4.434
  347    HE1  TYR  45           1HE      TYR  45   2.254 -10.854  -5.040
  348    HE2  TYR  45           2HE      TYR  45   0.698  -7.782  -2.451
  349    HH   TYR  45           HH       TYR  45   1.729  -9.684  -1.701
  350    H    ALA  46           H        ALA  46   3.262  -6.393  -6.443
  351    HA   ALA  46           HA       ALA  46   4.324  -8.847  -7.604
  352    HB1  ALA  46           1HB      ALA  46   6.483  -7.951  -8.221
  353    HB2  ALA  46           2HB      ALA  46   5.240  -7.001  -9.056
  354    HB3  ALA  46           3HB      ALA  46   6.037  -6.329  -7.623
  355    H    SER  47           H        SER  47   5.758  -9.957  -6.249
  356    HA   SER  47           HA       SER  47   6.459  -8.737  -3.615
  357    HB2  SER  47           1HB      SER  47   4.356 -10.140  -3.483
  358    HB3  SER  47           2HB      SER  47   5.355 -11.547  -3.895
  359    HG   SER  47           HG       SER  47   5.445  -9.852  -1.624
  360    H    ALA  48           H        ALA  48   8.058  -9.889  -2.409
  361    HA   ALA  48           HA       ALA  48  10.149 -11.228  -4.033
  362    HB1  ALA  48           1HB      ALA  48  10.176 -10.201  -1.168
  363    HB2  ALA  48           2HB      ALA  48  11.562 -10.850  -2.071
  364    HB3  ALA  48           3HB      ALA  48  10.800  -9.337  -2.595
  365    H    ILE  49           H        ILE  49   7.417 -12.170  -2.268
  366    HA   ILE  49           HA       ILE  49   8.577 -14.857  -1.627
  367    HB   ILE  49           HB       ILE  49   6.548 -13.310   0.019
  368   HG12  ILE  49          1HG1      ILE  49   9.484 -13.910   0.593
  369   HG13  ILE  49          2HG1      ILE  49   8.788 -12.322   0.258
  370   HG21  ILE  49          1HG2      ILE  49   6.744 -15.171   1.629
  371   HG22  ILE  49          2HG2      ILE  49   6.220 -15.789   0.083
  372   HG23  ILE  49          3HG2      ILE  49   7.917 -15.988   0.573
  373   HD11  ILE  49          3HD1      ILE  49   7.388 -12.529   2.331
  374   HD12  ILE  49          1HD1      ILE  49   8.317 -13.997   2.739
  375   HD13  ILE  49          2HD1      ILE  49   9.141 -12.441   2.598
  376    H    LYS  50           H        LYS  50   7.568 -16.519  -2.536
  377    HA   LYS  50           HA       LYS  50   5.420 -16.184  -4.387
  378    HB2  LYS  50           1HB      LYS  50   7.290 -17.916  -4.391
  379    HB3  LYS  50           2HB      LYS  50   6.382 -18.810  -3.172
  380    HG2  LYS  50           1HG      LYS  50   4.469 -19.009  -4.752
  381    HG3  LYS  50           2HG      LYS  50   5.356 -18.048  -5.950
  382    HD2  LYS  50           1HD      LYS  50   7.135 -19.788  -6.018
  383    HD3  LYS  50           2HD      LYS  50   6.232 -20.749  -4.827
  384    HE2  LYS  50           1HE      LYS  50   4.305 -20.869  -6.397
  385    HE3  LYS  50           2HE      LYS  50   5.208 -19.917  -7.581
  386    HZ1  LYS  50           3HZ      LYS  50   5.378 -22.296  -8.043
  387    HZ2  LYS  50           1HZ      LYS  50   6.019 -22.596  -6.574
  388    HZ3  LYS  50           2HZ      LYS  50   6.856 -21.716  -7.670
  389    H    ALA  51           H        ALA  51   5.386 -17.465  -1.060
  390    HA   ALA  51           HA       ALA  51   2.609 -18.171  -1.014
  391    HB1  ALA  51           1HB      ALA  51   4.286 -19.016   0.590
  392    HB2  ALA  51           2HB      ALA  51   4.486 -17.378   1.262
  393    HB3  ALA  51           3HB      ALA  51   2.936 -18.228   1.428
  394    H    ASN  52           H        ASN  52   4.212 -15.014  -0.611
  395    HA   ASN  52           HA       ASN  52   1.865 -13.683   0.480
  396    HB2  ASN  52           1HB      ASN  52   4.289 -12.968   0.723
  397    HB3  ASN  52           2HB      ASN  52   4.241 -12.455  -0.967
  398   HD21  ASN  52          1HD2      ASN  52   4.943 -10.487   0.487
  399   HD22  ASN  52          2HD2      ASN  52   3.620  -9.419   0.941
  400    H    LEU  53           H        LEU  53   3.250 -14.060  -2.844
  401    HA   LEU  53           HA       LEU  53   1.099 -12.792  -4.217
  402    HB2  LEU  53           1HB      LEU  53   3.194 -13.285  -5.328
  403    HB3  LEU  53           2HB      LEU  53   3.005 -15.012  -5.038
  404    HG   LEU  53           HG       LEU  53   1.026 -15.067  -6.537
  405   HD11  LEU  53          1HD1      LEU  53   0.517 -13.177  -7.994
  406   HD12  LEU  53          2HD1      LEU  53   1.745 -12.175  -7.181
  407   HD13  LEU  53          3HD1      LEU  53   0.282 -12.697  -6.314
  408   HD21  LEU  53          3HD2      LEU  53   3.306 -15.524  -7.393
  409   HD22  LEU  53          1HD2      LEU  53   3.444 -13.814  -7.863
  410   HD23  LEU  53          2HD2      LEU  53   2.223 -14.846  -8.623
  411    H    ASN  54           H        ASN  54   1.428 -16.194  -3.063
  412    HA   ASN  54           HA       ASN  54  -1.004 -17.166  -4.146
  413    HB2  ASN  54           1HB      ASN  54   0.857 -18.499  -3.059
  414    HB3  ASN  54           2HB      ASN  54   0.239 -17.988  -1.487
  415   HD21  ASN  54          1HD2      ASN  54  -0.208 -20.165  -4.144
  416   HD22  ASN  54          2HD2      ASN  54  -1.623 -20.970  -3.485
  417    H    VAL  55           H        VAL  55  -0.481 -15.516  -0.986
  418    HA   VAL  55           HA       VAL  55  -3.277 -15.517  -0.243
  419    HB   VAL  55           HB       VAL  55  -0.944 -13.832   0.691
  420   HG11  VAL  55          1HG1      VAL  55  -3.760 -14.003   1.853
  421   HG12  VAL  55          2HG1      VAL  55  -2.357 -13.282   2.674
  422   HG13  VAL  55          3HG1      VAL  55  -2.973 -12.551   1.193
  423   HG21  VAL  55          3HG2      VAL  55  -2.434 -16.161   1.983
  424   HG22  VAL  55          1HG2      VAL  55  -0.839 -16.268   1.220
  425   HG23  VAL  55          2HG2      VAL  55  -1.047 -15.285   2.671
  426    H    HIS  56           H        HIS  56  -1.285 -13.179  -2.067
  427    HA   HIS  56           HA       HIS  56  -3.308 -11.177  -2.333
  428    HB2  HIS  56           1HB      HIS  56  -1.007 -10.677  -2.825
  429    HB3  HIS  56           2HB      HIS  56  -0.940 -11.910  -4.085
  430    HD1  HIS  56           1HD      HIS  56  -2.828  -8.585  -3.449
  431    HD2  HIS  56           2HD      HIS  56  -1.678 -11.245  -6.494
  432    HE1  HIS  56           1HE      HIS  56  -3.658  -7.559  -5.605
  433    H    LEU  57           H        LEU  57  -2.611 -14.005  -4.464
  434    HA   LEU  57           HA       LEU  57  -4.568 -13.458  -6.455
  435    HB2  LEU  57           1HB      LEU  57  -3.342 -15.984  -5.370
  436    HB3  LEU  57           2HB      LEU  57  -4.475 -16.039  -6.709
  437    HG   LEU  57           HG       LEU  57  -1.946 -14.339  -6.823
  438   HD11  LEU  57          1HD1      LEU  57  -2.364 -17.214  -7.736
  439   HD12  LEU  57          2HD1      LEU  57  -1.330 -16.677  -6.396
  440   HD13  LEU  57          3HD1      LEU  57  -0.925 -16.213  -8.057
  441   HD21  LEU  57          3HD2      LEU  57  -3.625 -13.767  -8.513
  442   HD22  LEU  57          1HD2      LEU  57  -3.819 -15.483  -8.944
  443   HD23  LEU  57          2HD2      LEU  57  -2.293 -14.648  -9.269
  444    H    ARG  58           H        ARG  58  -4.960 -15.041  -3.304
  445    HA   ARG  58           HA       ARG  58  -7.702 -15.862  -3.619
  446    HB2  ARG  58           1HB      ARG  58  -6.179 -15.060  -1.110
  447    HB3  ARG  58           2HB      ARG  58  -7.749 -15.852  -1.116
  448    HG2  ARG  58           1HG      ARG  58  -6.870 -17.868  -2.069
  449    HG3  ARG  58           2HG      ARG  58  -5.338 -17.105  -2.482
  450    HD2  ARG  58           1HD      ARG  58  -4.960 -16.711   0.004
  451    HD3  ARG  58           2HD      ARG  58  -6.361 -17.728   0.312
  452    HE   ARG  58           HE       ARG  58  -3.778 -18.562  -0.996
  453   HH11  ARG  58          2HH1      ARG  58  -6.717 -19.653   0.603
  454   HH12  ARG  58          1HH1      ARG  58  -6.117 -21.283   0.734
  455   HH21  ARG  58          2HH2      ARG  58  -3.103 -20.557  -0.784
  456   HH22  ARG  58          1HH2      ARG  58  -4.097 -21.802  -0.043
  457    H    LYS  59           H        LYS  59  -6.436 -12.633  -3.227
  458    HA   LYS  59           HA       LYS  59  -8.973 -11.457  -2.331
  459    HB2  LYS  59           1HB      LYS  59  -6.575 -10.026  -3.543
  460    HB3  LYS  59           2HB      LYS  59  -7.905  -9.324  -2.626
  461    HG2  LYS  59           1HG      LYS  59  -7.189 -10.731  -0.641
  462    HG3  LYS  59           2HG      LYS  59  -5.751 -11.196  -1.574
  463    HD2  LYS  59           1HD      LYS  59  -5.082  -8.824  -1.755
  464    HD3  LYS  59           2HD      LYS  59  -6.525  -8.347  -0.829
  465    HE2  LYS  59           1HE      LYS  59  -5.742  -9.767   1.074
  466    HE3  LYS  59           2HE      LYS  59  -4.281 -10.168   0.164
  467    HZ1  LYS  59           3HZ      LYS  59  -3.708  -7.787   0.185
  468    HZ2  LYS  59           1HZ      LYS  59  -3.895  -8.331   1.712
  469    HZ3  LYS  59           2HZ      LYS  59  -5.064  -7.429   1.025
  470    H    HIS  60           H        HIS  60  -7.640 -12.310  -5.443
  471    HA   HIS  60           HA       HIS  60  -9.254 -10.472  -7.001
  472    HB2  HIS  60           1HB      HIS  60  -7.469 -12.829  -7.649
  473    HB3  HIS  60           2HB      HIS  60  -8.509 -12.119  -8.861
  474    HD1  HIS  60           1HD      HIS  60  -8.176  -9.285  -9.088
  475    HD2  HIS  60           2HD      HIS  60  -5.087 -11.686  -7.535
  476    HE1  HIS  60           1HE      HIS  60  -6.067  -7.901  -9.301
  477    H    THR  61           H        THR  61 -10.307 -13.098  -5.292
  478    HA   THR  61           HA       THR  61 -12.298 -14.320  -6.894
  479    HB   THR  61           HB       THR  61 -11.601 -15.056  -4.670
  480    HG1  THR  61           1HG      THR  61 -13.636 -15.559  -3.898
  481   HG21  THR  61          3HG2      THR  61 -11.420 -12.790  -3.599
  482   HG22  THR  61          1HG2      THR  61 -12.307 -13.974  -2.632
  483   HG23  THR  61          2HG2      THR  61 -13.191 -12.717  -3.532
  484    H    GLY  62           H        GLY  62 -12.207 -11.049  -5.613
  485    HA2  GLY  62           1HA      GLY  62 -14.644 -10.384  -7.153
  486    HA3  GLY  62           2HA      GLY  62 -14.605  -9.901  -5.456
  487    H    GLU  63           H        GLU  63 -14.896  -7.979  -7.353
  488    HA   GLU  63           HA       GLU  63 -12.506  -6.316  -7.007
  489    HB2  GLU  63           1HB      GLU  63 -12.186  -5.787  -9.327
  490    HB3  GLU  63           2HB      GLU  63 -12.045  -7.530  -9.124
  491    HG2  GLU  63           1HG      GLU  63 -14.478  -7.710  -9.903
  492    HG3  GLU  63           2HG      GLU  63 -14.392  -5.996 -10.316
  493    H    LYS  64           H        LYS  64 -12.814  -4.084  -7.572
  494    HA   LYS  64           HA       LYS  64 -15.642  -3.190  -7.733
  495    HB2  LYS  64           1HB      LYS  64 -13.583  -2.094  -5.771
  496    HB3  LYS  64           2HB      LYS  64 -15.163  -1.388  -6.106
  497    HG2  LYS  64           1HG      LYS  64 -16.195  -3.613  -5.355
  498    HG3  LYS  64           2HG      LYS  64 -14.579  -4.070  -4.800
  499    HD2  LYS  64           1HD      LYS  64 -15.711  -3.213  -2.888
  500    HD3  LYS  64           2HD      LYS  64 -14.580  -1.936  -3.386
  501    HE2  LYS  64           1HE      LYS  64 -16.428  -0.781  -4.574
  502    HE3  LYS  64           2HE      LYS  64 -17.557  -2.044  -4.077
  503    HZ1  LYS  64           3HZ      LYS  64 -17.553  -0.006  -2.663
  504    HZ2  LYS  64           1HZ      LYS  64 -16.047  -0.350  -2.158
  505    HZ3  LYS  64           2HZ      LYS  64 -17.271  -1.375  -1.795
  506    H    PHE  65           H        PHE  65 -15.989  -1.134  -8.488
  507    HA   PHE  65           HA       PHE  65 -13.794   0.288  -9.932
  508    HB2  PHE  65           1HB      PHE  65 -16.699   0.007 -10.797
  509    HB3  PHE  65           2HB      PHE  65 -15.406   0.827 -11.663
  510    HD1  PHE  65           2HD      PHE  65 -13.660  -0.448 -12.871
  511    HD2  PHE  65           1HD      PHE  65 -16.853  -2.445 -10.776
  512    HE1  PHE  65           2HE      PHE  65 -13.119  -2.563 -14.056
  513    HE2  PHE  65           1HE      PHE  65 -16.307  -4.564 -11.959
  514    HZ   PHE  65           HZ       PHE  65 -14.442  -4.621 -13.604
  515    H    ALA  66           H        ALA  66 -14.098   2.645 -10.022
  516    HA   ALA  66           HA       ALA  66 -15.907   3.743  -7.911
  517    HB1  ALA  66           1HB      ALA  66 -14.053   5.079  -7.057
  518    HB2  ALA  66           2HB      ALA  66 -13.651   3.353  -6.971
  519    HB3  ALA  66           3HB      ALA  66 -12.950   4.365  -8.253
  520    H    CYS  67           H        CYS  67 -16.739   5.735  -8.206
  521    HA   CYS  67           HA       CYS  67 -16.961   6.781 -10.861
  522    HB2  CYS  67           1HB      CYS  67 -18.707   6.770  -9.125
  523    HB3  CYS  67           2HB      CYS  67 -17.776   7.930  -8.166
  524    H    ASP  68           H        ASP  68 -16.264   8.663 -11.745
  525    HA   ASP  68           HA       ASP  68 -13.685   9.751 -10.767
  526    HB2  ASP  68           1HB      ASP  68 -14.020   8.945 -13.130
  527    HB3  ASP  68           2HB      ASP  68 -15.147  10.278 -13.377
  528    H    TYR  69           H        TYR  69 -16.958  10.517 -10.477
  529    HA   TYR  69           HA       TYR  69 -16.490  13.475 -10.277
  530    HB2  TYR  69           1HB      TYR  69 -18.977  11.938 -11.020
  531    HB3  TYR  69           2HB      TYR  69 -18.834  13.688 -10.963
  532    HD1  TYR  69           1HD      TYR  69 -17.412  14.884 -12.656
  533    HD2  TYR  69           2HD      TYR  69 -18.222  10.653 -12.905
  534    HE1  TYR  69           1HE      TYR  69 -16.723  14.889 -15.052
  535    HE2  TYR  69           2HE      TYR  69 -17.530  10.659 -15.296
  536    HH   TYR  69           HH       TYR  69 -16.758  11.914 -17.055
  537    H    CYS  70           H        CYS  70 -17.584  10.693  -8.463
  538    HA   CYS  70           HA       CYS  70 -17.973  12.375  -6.102
  539    HB2  CYS  70           1HB      CYS  70 -20.134  11.575  -5.503
  540    HB3  CYS  70           2HB      CYS  70 -20.221  12.284  -7.103
  541    H    SER  71           H        SER  71 -18.755  10.644  -4.248
  542    HA   SER  71           HA       SER  71 -16.449   8.908  -3.877
  543    HB2  SER  71           1HB      SER  71 -18.871   9.312  -2.090
  544    HB3  SER  71           2HB      SER  71 -17.318   8.602  -1.621
  545    HG   SER  71           HG       SER  71 -16.327  10.616  -2.007
  546    H    PHE  72           H        PHE  72 -19.215   8.227  -5.580
  547    HA   PHE  72           HA       PHE  72 -20.147   5.779  -4.489
  548    HB2  PHE  72           1HB      PHE  72 -21.414   7.105  -6.072
  549    HB3  PHE  72           2HB      PHE  72 -20.179   6.894  -7.300
  550    HD1  PHE  72           1HD      PHE  72 -22.557   4.859  -5.192
  551    HD2  PHE  72           2HD      PHE  72 -20.436   5.241  -8.926
  552    HE1  PHE  72           1HE      PHE  72 -23.731   2.851  -6.073
  553    HE2  PHE  72           2HE      PHE  72 -21.635   3.259  -9.812
  554    HZ   PHE  72           HZ       PHE  72 -23.253   2.039  -8.381
  555    H    THR  73           H        THR  73 -19.766   3.653  -4.872
  556    HA   THR  73           HA       THR  73 -17.674   2.831  -6.791
  557    HB   THR  73           HB       THR  73 -16.901   1.034  -5.309
  558    HG1  THR  73           1HG      THR  73 -18.246   2.487  -3.280
  559   HG21  THR  73          3HG2      THR  73 -15.560   3.088  -5.463
  560   HG22  THR  73          1HG2      THR  73 -15.423   2.294  -3.885
  561   HG23  THR  73          2HG2      THR  73 -16.423   3.761  -4.064
  562    H    CYS  74           H        CYS  74 -17.885   0.736  -7.613
  563    HA   CYS  74           HA       CYS  74 -20.593  -0.505  -7.398
  564    HB2  CYS  74           1HB      CYS  74 -20.412   1.322  -9.173
  565    HB3  CYS  74           2HB      CYS  74 -19.217   0.307  -9.991
  566    HG   CYS  74           HG       CYS  74 -21.164  -0.270 -11.357
  567    H    LEU  75           H        LEU  75 -20.742  -2.618  -8.369
  568    HA   LEU  75           HA       LEU  75 -18.228  -4.204  -8.310
  569    HB2  LEU  75           1HB      LEU  75 -21.125  -5.108  -8.483
  570    HB3  LEU  75           2HB      LEU  75 -19.717  -6.142  -8.254
  571    HG   LEU  75           HG       LEU  75 -20.784  -4.090  -6.270
  572   HD11  LEU  75          1HD1      LEU  75 -20.652  -7.130  -6.169
  573   HD12  LEU  75          2HD1      LEU  75 -22.113  -6.160  -6.462
  574   HD13  LEU  75          3HD1      LEU  75 -21.286  -6.057  -4.899
  575   HD21  LEU  75          3HD2      LEU  75 -18.382  -5.953  -6.040
  576   HD22  LEU  75          1HD2      LEU  75 -19.100  -5.034  -4.696
  577   HD23  LEU  75          2HD2      LEU  75 -18.352  -4.176  -6.048
  578    H    SER  76           H        SER  76 -19.939  -2.565 -10.675
  579    HA   SER  76           HA       SER  76 -18.647  -4.145 -12.829
  580    HB2  SER  76           1HB      SER  76 -20.865  -5.075 -12.802
  581    HB3  SER  76           2HB      SER  76 -21.605  -3.465 -12.725
  582    HG   SER  76           HG       SER  76 -21.481  -4.523 -14.870
  583    H    LYS  77           H        LYS  77 -17.701  -2.891 -14.298
  584    HA   LYS  77           HA       LYS  77 -17.802  -0.018 -14.255
  585    HB2  LYS  77           1HB      LYS  77 -16.415  -0.103 -16.235
  586    HB3  LYS  77           2HB      LYS  77 -15.834  -1.211 -15.000
  587    HG2  LYS  77           1HG      LYS  77 -16.864  -3.123 -16.236
  588    HG3  LYS  77           2HG      LYS  77 -17.414  -1.994 -17.491
  589    HD2  LYS  77           1HD      LYS  77 -15.049  -1.319 -17.897
  590    HD3  LYS  77           2HD      LYS  77 -14.504  -2.507 -16.710
  591    HE2  LYS  77           1HE      LYS  77 -16.094  -3.154 -19.240
  592    HE3  LYS  77           2HE      LYS  77 -14.334  -3.223 -19.126
  593    HZ1  LYS  77           3HZ      LYS  77 -16.199  -4.900 -17.534
  594    HZ2  LYS  77           1HZ      LYS  77 -14.566  -4.928 -17.401
  595    HZ3  LYS  77           2HZ      LYS  77 -15.285  -5.407 -18.783
  596    H    GLY  78           H        GLY  78 -19.800  -2.366 -15.907
  597    HA2  GLY  78           1HA      GLY  78 -20.951  -0.585 -17.896
  598    HA3  GLY  78           2HA      GLY  78 -21.614  -2.126 -17.328
  599    H    HIS  79           H        HIS  79 -22.045  -1.711 -14.640
  600    HA   HIS  79           HA       HIS  79 -24.330   0.073 -14.604
  601    HB2  HIS  79           1HB      HIS  79 -24.270  -2.028 -13.356
  602    HB3  HIS  79           2HB      HIS  79 -22.950  -1.425 -12.359
  603    HD1  HIS  79           1HD      HIS  79 -23.751  -0.240 -10.163
  604    HD2  HIS  79           2HD      HIS  79 -26.648  -0.401 -13.209
  605    HE1  HIS  79           1HE      HIS  79 -25.889   0.744  -9.169
  606    H    LEU  80           H        LEU  80 -20.940   0.426 -13.514
  607    HA   LEU  80           HA       LEU  80 -21.298   2.975 -12.257
  608    HB2  LEU  80           1HB      LEU  80 -19.282   1.576 -11.990
  609    HB3  LEU  80           2HB      LEU  80 -18.894   1.804 -13.698
  610    HG   LEU  80           HG       LEU  80 -18.561   4.221 -13.341
  611   HD11  LEU  80          1HD1      LEU  80 -18.432   5.110 -11.029
  612   HD12  LEU  80          2HD1      LEU  80 -19.096   3.586 -10.403
  613   HD13  LEU  80          3HD1      LEU  80 -20.075   4.648 -11.449
  614   HD21  LEU  80          3HD2      LEU  80 -17.023   2.569 -11.311
  615   HD22  LEU  80          1HD2      LEU  80 -16.498   4.066 -12.116
  616   HD23  LEU  80          2HD2      LEU  80 -16.694   2.588 -13.063
  617    H    LYS  81           H        LYS  81 -20.680   2.119 -15.719
  618    HA   LYS  81           HA       LYS  81 -20.660   4.826 -16.668
  619    HB2  LYS  81           1HB      LYS  81 -19.912   2.858 -17.987
  620    HB3  LYS  81           2HB      LYS  81 -21.595   2.326 -18.141
  621    HG2  LYS  81           1HG      LYS  81 -22.167   4.414 -19.334
  622    HG3  LYS  81           2HG      LYS  81 -20.506   5.005 -19.120
  623    HD2  LYS  81           1HD      LYS  81 -19.659   3.109 -20.477
  624    HD3  LYS  81           2HD      LYS  81 -21.322   2.506 -20.675
  625    HE2  LYS  81           1HE      LYS  81 -21.959   4.638 -21.784
  626    HE3  LYS  81           2HE      LYS  81 -20.310   5.241 -21.583
  627    HZ1  LYS  81           3HZ      LYS  81 -20.648   4.313 -23.802
  628    HZ2  LYS  81           1HZ      LYS  81 -21.065   2.859 -23.194
  629    HZ3  LYS  81           2HZ      LYS  81 -19.541   3.417 -23.009
  630    H    VAL  82           H        VAL  82 -23.424   2.572 -16.186
  631    HA   VAL  82           HA       VAL  82 -25.459   4.414 -16.998
  632    HB   VAL  82           HB       VAL  82 -25.581   2.124 -15.001
  633   HG11  VAL  82          1HG1      VAL  82 -27.467   3.605 -14.514
  634   HG12  VAL  82          2HG1      VAL  82 -27.853   3.719 -16.249
  635   HG13  VAL  82          3HG1      VAL  82 -28.044   2.180 -15.378
  636   HG21  VAL  82          3HG2      VAL  82 -26.513   2.360 -17.898
  637   HG22  VAL  82          1HG2      VAL  82 -25.062   1.493 -17.367
  638   HG23  VAL  82          2HG2      VAL  82 -26.656   0.925 -16.859
  639    H    HIS  83           H        HIS  83 -23.955   4.016 -13.735
  640    HA   HIS  83           HA       HIS  83 -25.419   6.093 -12.441
  641    HB2  HIS  83           1HB      HIS  83 -24.112   4.635 -11.108
  642    HB3  HIS  83           2HB      HIS  83 -22.651   4.935 -12.026
  643    HD1  HIS  83           1HD      HIS  83 -24.727   6.534  -9.248
  644    HD2  HIS  83           2HD      HIS  83 -21.181   7.074 -11.431
  645    HE1  HIS  83           1HE      HIS  83 -23.435   8.345  -8.029
  646    H    ILE  84           H        ILE  84 -22.302   6.361 -14.277
  647    HA   ILE  84           HA       ILE  84 -22.079   9.191 -13.915
  648    HB   ILE  84           HB       ILE  84 -20.898   7.342 -16.009
  649   HG12  ILE  84          1HG1      ILE  84 -19.615   8.679 -13.574
  650   HG13  ILE  84          2HG1      ILE  84 -20.264   7.049 -13.546
  651   HG21  ILE  84          1HG2      ILE  84 -20.205  10.265 -15.434
  652   HG22  ILE  84          2HG2      ILE  84 -19.294   9.183 -16.511
  653   HG23  ILE  84          3HG2      ILE  84 -20.934   9.637 -16.930
  654   HD11  ILE  84          3HD1      ILE  84 -18.671   6.371 -15.339
  655   HD12  ILE  84          1HD1      ILE  84 -17.910   7.979 -15.219
  656   HD13  ILE  84          2HD1      ILE  84 -17.901   6.890 -13.827
  657    H    GLU  85           H        GLU  85 -23.489   7.369 -16.660
  658    HA   GLU  85           HA       GLU  85 -24.164   9.689 -18.193
  659    HB2  GLU  85           1HB      GLU  85 -25.252   6.846 -18.194
  660    HB3  GLU  85           2HB      GLU  85 -25.667   8.028 -19.416
  661    HG2  GLU  85           1HG      GLU  85 -22.830   7.045 -18.868
  662    HG3  GLU  85           2HG      GLU  85 -23.899   6.398 -20.104
  663    H    ARG  86           H        ARG  86 -25.879   8.255 -15.488
  664    HA   ARG  86           HA       ARG  86 -28.333   9.861 -16.091
  665    HB2  ARG  86           1HB      ARG  86 -27.827   7.611 -14.116
  666    HB3  ARG  86           2HB      ARG  86 -29.333   8.527 -14.233
  667    HG2  ARG  86           1HG      ARG  86 -29.615   7.831 -16.592
  668    HG3  ARG  86           2HG      ARG  86 -28.128   6.866 -16.495
  669    HD2  ARG  86           1HD      ARG  86 -29.114   5.527 -14.669
  670    HD3  ARG  86           2HD      ARG  86 -30.602   6.496 -14.758
  671    HE   ARG  86           HE       ARG  86 -30.135   5.487 -17.348
  672   HH11  ARG  86          2HH1      ARG  86 -30.930   4.122 -14.221
  673   HH12  ARG  86          1HH1      ARG  86 -31.720   2.737 -14.922
  674   HH21  ARG  86          1HH2      ARG  86 -31.157   3.693 -18.179
  675   HH22  ARG  86          2HH2      ARG  86 -31.843   2.509 -17.106
  676    H    VAL  87           H        VAL  87 -25.799   9.652 -13.619
  677    HA   VAL  87           HA       VAL  87 -27.220  11.652 -11.944
  678    HB   VAL  87           HB       VAL  87 -24.729  10.028 -11.329
  679   HG11  VAL  87          1HG1      VAL  87 -25.229  10.619  -8.973
  680   HG12  VAL  87          2HG1      VAL  87 -24.815  12.035  -9.937
  681   HG13  VAL  87          3HG1      VAL  87 -26.516  11.711  -9.529
  682   HG21  VAL  87          3HG2      VAL  87 -26.707   8.556 -11.580
  683   HG22  VAL  87          1HG2      VAL  87 -26.257   8.694  -9.881
  684   HG23  VAL  87          2HG2      VAL  87 -27.643   9.614 -10.503
  685    H    HIS  88           H        HIS  88 -24.127  11.342 -13.710
  686    HA   HIS  88           HA       HIS  88 -23.445  14.149 -12.951
  687    HB2  HIS  88           1HB      HIS  88 -21.699  11.950 -14.090
  688    HB3  HIS  88           2HB      HIS  88 -21.170  13.560 -13.597
  689    HD1  HIS  88           1HD      HIS  88 -21.965  14.055 -10.799
  690    HD2  HIS  88           2HD      HIS  88 -21.338  10.163 -12.240
  691    HE1  HIS  88           1HE      HIS  88 -21.579  12.610  -8.746
  692    H    LYS  89           H        LYS  89 -24.252  12.168 -15.717
  693    HA   LYS  89           HA       LYS  89 -24.273  14.599 -17.466
  694    HB2  LYS  89           1HB      LYS  89 -24.394  11.734 -18.371
  695    HB3  LYS  89           2HB      LYS  89 -24.279  13.169 -19.378
  696    HG2  LYS  89           1HG      LYS  89 -22.012  13.653 -18.411
  697    HG3  LYS  89           2HG      LYS  89 -22.118  12.139 -17.483
  698    HD2  LYS  89           1HD      LYS  89 -22.504  10.919 -19.640
  699    HD3  LYS  89           2HD      LYS  89 -22.170  12.420 -20.518
  700    HE2  LYS  89           1HE      LYS  89 -19.893  12.489 -19.580
  701    HE3  LYS  89           2HE      LYS  89 -20.245  11.079 -18.569
  702    HZ1  LYS  89           3HZ      LYS  89 -20.167  11.088 -21.535
  703    HZ2  LYS  89           1HZ      LYS  89 -20.643   9.806 -20.638
  704    HZ3  LYS  89           2HZ      LYS  89 -19.093  10.351 -20.547
  705    H    LYS  90           H        LYS  90 -26.118  14.642 -19.000
  706    HA   LYS  90           HA       LYS  90 -28.352  15.011 -19.333
  707    HB2  LYS  90           1HB      LYS  90 -28.583  12.121 -18.421
  708    HB3  LYS  90           2HB      LYS  90 -29.737  13.010 -19.416
  709    HG2  LYS  90           1HG      LYS  90 -28.016  13.261 -21.200
  710    HG3  LYS  90           2HG      LYS  90 -26.863  12.358 -20.210
  711    HD2  LYS  90           1HD      LYS  90 -27.759  10.865 -21.845
  712    HD3  LYS  90           2HD      LYS  90 -28.365  10.377 -20.256
  713    HE2  LYS  90           1HE      LYS  90 -30.528  11.500 -20.730
  714    HE3  LYS  90           2HE      LYS  90 -29.908  12.059 -22.289
  715    HZ1  LYS  90           3HZ      LYS  90 -31.244  10.048 -22.536
  716    HZ2  LYS  90           1HZ      LYS  90 -30.275   9.209 -21.528
  717    HZ3  LYS  90           2HZ      LYS  90 -29.705   9.728 -22.970
  718    H    ILE  91           H        ILE  91 -27.485  15.842 -16.725
  719    HA   ILE  91           HA       ILE  91 -29.851  15.412 -14.998
  720    HB   ILE  91           HB       ILE  91 -27.699  14.568 -14.180
  721   HG12  ILE  91          1HG1      ILE  91 -27.640  15.608 -11.965
  722   HG13  ILE  91          2HG1      ILE  91 -28.685  16.914 -12.509
  723   HG21  ILE  91          1HG2      ILE  91 -25.881  16.052 -13.494
  724   HG22  ILE  91          2HG2      ILE  91 -26.146  16.183 -15.231
  725   HG23  ILE  91          3HG2      ILE  91 -26.738  17.461 -14.147
  726   HD11  ILE  91          3HD1      ILE  91 -30.528  15.293 -12.881
  727   HD12  ILE  91          1HD1      ILE  91 -29.435  13.949 -12.467
  728   HD13  ILE  91          2HD1      ILE  91 -29.893  15.142 -11.236
  729    H    LYS  92           H        LYS  92 -30.834  17.112 -13.938
  730    HA   LYS  92           HA       LYS  92 -30.810  19.689 -15.372
  731    HB2  LYS  92           1HB      LYS  92 -32.907  18.420 -14.936
  732    HB3  LYS  92           2HB      LYS  92 -32.680  18.674 -13.198
  733    HG2  LYS  92           1HG      LYS  92 -32.752  21.144 -13.571
  734    HG3  LYS  92           2HG      LYS  92 -33.009  20.874 -15.298
  735    HD2  LYS  92           1HD      LYS  92 -34.874  19.963 -13.058
  736    HD3  LYS  92           2HD      LYS  92 -35.090  21.412 -14.052
  737    HE2  LYS  92           1HE      LYS  92 -35.215  19.988 -16.095
  738    HE3  LYS  92           2HE      LYS  92 -35.061  18.542 -15.088
  739    HZ1  LYS  92           3HZ      LYS  92 -37.385  19.026 -15.583
  740    HZ2  LYS  92           1HZ      LYS  92 -37.282  20.508 -14.915
  741    HZ3  LYS  92           2HZ      LYS  92 -37.138  19.177 -13.978
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  -4.533  26.959   4.957
    2    H2   GLY   1           2H       GLY   1  -3.040  27.008   4.278
    3    H3   GLY   1           3H       GLY   1  -4.363  27.320   3.367
    4    HA2  GLY   1           1HA      GLY   1  -3.372  28.980   5.595
    5    HA3  GLY   1           2HA      GLY   1  -3.232  29.375   3.871
    6    H    SER   2           H        SER   2  -4.606  30.810   6.113
    7    HA   SER   2           HA       SER   2  -7.370  30.430   6.161
    8    HB2  SER   2           1HB      SER   2  -5.877  33.042   6.593
    9    HB3  SER   2           2HB      SER   2  -7.478  32.616   7.224
   10    HG   SER   2           HG       SER   2  -5.820  32.282   8.781
   11    H    SER   3           H        SER   3  -5.561  32.232   3.735
   12    HA   SER   3           HA       SER   3  -7.886  33.559   2.573
   13    HB2  SER   3           1HB      SER   3  -5.104  33.145   1.422
   14    HB3  SER   3           2HB      SER   3  -6.330  34.292   0.850
   15    HG   SER   3           HG       SER   3  -4.789  35.295   2.225
   16    H    GLY   4           H        GLY   4  -7.116  30.343   2.555
   17    HA2  GLY   4           1HA      GLY   4  -8.081  28.612   1.296
   18    HA3  GLY   4           2HA      GLY   4  -8.453  29.717  -0.024
   19    H    SER   5           H        SER   5  -6.904  27.080   0.262
   20    HA   SER   5           HA       SER   5  -4.686  27.699  -1.563
   21    HB2  SER   5           1HB      SER   5  -3.013  26.523  -0.116
   22    HB3  SER   5           2HB      SER   5  -3.558  28.077   0.515
   23    HG   SER   5           HG       SER   5  -4.386  25.484   1.370
   24    H    SER   6           H        SER   6  -3.647  25.779  -2.439
   25    HA   SER   6           HA       SER   6  -5.490  23.591  -2.976
   26    HB2  SER   6           1HB      SER   6  -3.609  22.774  -4.406
   27    HB3  SER   6           2HB      SER   6  -4.160  24.414  -4.774
   28    HG   SER   6           HG       SER   6  -1.865  24.260  -4.696
   29    H    GLY   7           H        GLY   7  -4.826  21.311  -2.835
   30    HA2  GLY   7           1HA      GLY   7  -4.109  20.520  -0.156
   31    HA3  GLY   7           2HA      GLY   7  -4.391  19.456  -1.528
   32    H    LYS   8           H        LYS   8  -2.490  18.815   0.303
   33    HA   LYS   8           HA       LYS   8   0.163  19.727  -0.347
   34    HB2  LYS   8           1HB      LYS   8   0.963  18.071   1.174
   35    HB3  LYS   8           2HB      LYS   8  -0.456  18.853   1.866
   36    HG2  LYS   8           1HG      LYS   8  -1.851  16.884   1.153
   37    HG3  LYS   8           2HG      LYS   8  -0.388  16.092   0.555
   38    HD2  LYS   8           1HD      LYS   8  -0.887  16.938   3.443
   39    HD3  LYS   8           2HD      LYS   8  -1.093  15.303   2.802
   40    HE2  LYS   8           1HE      LYS   8   1.321  15.232   2.191
   41    HE3  LYS   8           2HE      LYS   8   1.535  16.857   2.855
   42    HZ1  LYS   8           3HZ      LYS   8   2.158  15.159   4.471
   43    HZ2  LYS   8           1HZ      LYS   8   0.670  14.489   4.431
   44    HZ3  LYS   8           2HZ      LYS   8   0.877  15.995   5.032
   45    H    ILE   9           H        ILE   9   1.936  18.440  -1.059
   46    HA   ILE   9           HA       ILE   9   1.313  16.660  -3.385
   47    HB   ILE   9           HB       ILE   9   3.192  19.052  -3.262
   48   HG12  ILE   9          1HG1      ILE   9   0.703  18.504  -4.951
   49   HG13  ILE   9          2HG1      ILE   9   0.799  19.624  -3.593
   50   HG21  ILE   9          1HG2      ILE   9   4.280  17.263  -4.539
   51   HG22  ILE   9          2HG2      ILE   9   2.806  17.039  -5.518
   52   HG23  ILE   9          3HG2      ILE   9   3.764  18.536  -5.614
   53   HD11  ILE   9          3HD1      ILE   9   2.164  19.948  -6.279
   54   HD12  ILE   9          1HD1      ILE   9   0.884  20.933  -5.563
   55   HD13  ILE   9          2HD1      ILE   9   2.511  20.963  -4.853
   56    H    PHE  10           H        PHE  10   2.852  15.087  -3.885
   57    HA   PHE  10           HA       PHE  10   4.796  14.428  -1.704
   58    HB2  PHE  10           1HB      PHE  10   3.053  12.584  -3.382
   59    HB3  PHE  10           2HB      PHE  10   4.224  12.077  -2.178
   60    HD1  PHE  10           1HD      PHE  10   0.945  13.757  -2.676
   61    HD2  PHE  10           2HD      PHE  10   3.748  12.193   0.203
   62    HE1  PHE  10           1HE      PHE  10  -0.782  13.935  -0.902
   63    HE2  PHE  10           2HE      PHE  10   2.016  12.359   1.976
   64    HZ   PHE  10           HZ       PHE  10  -0.254  13.218   1.425
   65    H    THR  11           H        THR  11   6.863  13.769  -2.298
   66    HA   THR  11           HA       THR  11   7.522  13.731  -5.210
   67    HB   THR  11           HB       THR  11   9.037  15.237  -3.055
   68    HG1  THR  11           1HG      THR  11   8.178  17.069  -4.005
   69   HG21  THR  11          3HG2      THR  11  10.142  16.328  -4.991
   70   HG22  THR  11          1HG2      THR  11   9.254  15.254  -6.096
   71   HG23  THR  11          2HG2      THR  11  10.454  14.588  -4.961
   72    H    CYS  12           H        CYS  12   9.016  12.304  -5.865
   73    HA   CYS  12           HA       CYS  12   9.971  10.209  -4.109
   74    HB2  CYS  12           1HB      CYS  12   9.265   9.803  -6.385
   75    HB3  CYS  12           2HB      CYS  12  10.510  10.907  -7.012
   76    H    GLU  13           H        GLU  13  11.875   9.964  -3.136
   77    HA   GLU  13           HA       GLU  13  13.829  12.172  -3.166
   78    HB2  GLU  13           1HB      GLU  13  14.809  11.142  -1.249
   79    HB3  GLU  13           2HB      GLU  13  13.063  11.222  -1.036
   80    HG2  GLU  13           1HG      GLU  13  12.898   8.805  -1.686
   81    HG3  GLU  13           2HG      GLU  13  14.658   8.745  -1.832
   82    H    TYR  14           H        TYR  14  13.451   9.354  -4.983
   83    HA   TYR  14           HA       TYR  14  16.388   8.913  -5.331
   84    HB2  TYR  14           1HB      TYR  14  14.007   7.222  -6.102
   85    HB3  TYR  14           2HB      TYR  14  15.684   6.795  -6.380
   86    HD1  TYR  14           2HD      TYR  14  17.224   6.393  -4.407
   87    HD2  TYR  14           1HD      TYR  14  12.950   6.802  -3.990
   88    HE1  TYR  14           2HE      TYR  14  17.329   5.264  -2.184
   89    HE2  TYR  14           1HE      TYR  14  13.058   5.670  -1.773
   90    HH   TYR  14           HH       TYR  14  14.400   4.679  -0.201
   91    H    CYS  15           H        CYS  15  13.494   9.851  -7.179
   92    HA   CYS  15           HA       CYS  15  15.273  10.570  -9.446
   93    HB2  CYS  15           1HB      CYS  15  13.824   9.650 -11.081
   94    HB3  CYS  15           2HB      CYS  15  14.328   8.393  -9.957
   95    H    ASN  16           H        ASN  16  13.396  11.934  -7.256
   96    HA   ASN  16           HA       ASN  16  12.361  13.899  -6.998
   97    HB2  ASN  16           1HB      ASN  16  13.943  14.720  -9.448
   98    HB3  ASN  16           2HB      ASN  16  13.252  15.800  -8.243
   99   HD21  ASN  16          1HD2      ASN  16  14.046  15.519  -5.936
  100   HD22  ASN  16          2HD2      ASN  16  15.725  15.039  -5.750
  101    H    LYS  17           H        LYS  17  11.008  11.956  -9.015
  102    HA   LYS  17           HA       LYS  17   9.150  13.579 -10.516
  103    HB2  LYS  17           1HB      LYS  17   9.064  10.743  -9.433
  104    HB3  LYS  17           2HB      LYS  17   7.730  11.447 -10.372
  105    HG2  LYS  17           1HG      LYS  17   9.204  11.795 -12.298
  106    HG3  LYS  17           2HG      LYS  17  10.589  11.213 -11.353
  107    HD2  LYS  17           1HD      LYS  17   9.298   9.035 -11.001
  108    HD3  LYS  17           2HD      LYS  17   8.085   9.636 -12.125
  109    HE2  LYS  17           1HE      LYS  17   9.623   8.064 -13.164
  110    HE3  LYS  17           2HE      LYS  17   9.699   9.647 -13.946
  111    HZ1  LYS  17           3HZ      LYS  17  11.924   8.566 -13.439
  112    HZ2  LYS  17           1HZ      LYS  17  11.640   8.845 -11.836
  113    HZ3  LYS  17           2HZ      LYS  17  11.767  10.091 -12.872
  114    H    VAL  18           H        VAL  18   7.018  13.995 -10.116
  115    HA   VAL  18           HA       VAL  18   6.305  14.467  -7.244
  116    HB   VAL  18           HB       VAL  18   5.687  16.212  -9.654
  117   HG11  VAL  18          1HG1      VAL  18   4.907  17.838  -7.925
  118   HG12  VAL  18          2HG1      VAL  18   3.906  16.387  -7.962
  119   HG13  VAL  18          3HG1      VAL  18   5.133  16.585  -6.686
  120   HG21  VAL  18          3HG2      VAL  18   7.589  16.643  -7.305
  121   HG22  VAL  18          1HG2      VAL  18   8.067  16.390  -8.999
  122   HG23  VAL  18          2HG2      VAL  18   7.188  17.851  -8.545
  123    H    PHE  19           H        PHE  19   4.350  13.946  -6.524
  124    HA   PHE  19           HA       PHE  19   2.339  12.695  -8.335
  125    HB2  PHE  19           1HB      PHE  19   3.425  11.549  -5.730
  126    HB3  PHE  19           2HB      PHE  19   2.156  10.850  -6.723
  127    HD1  PHE  19           2HD      PHE  19   2.682   9.864  -8.967
  128    HD2  PHE  19           1HD      PHE  19   5.770  11.305  -6.331
  129    HE1  PHE  19           2HE      PHE  19   4.401   8.729 -10.360
  130    HE2  PHE  19           1HE      PHE  19   7.482  10.160  -7.714
  131    HZ   PHE  19           HZ       PHE  19   6.812   8.908  -9.765
  132    H    LYS  20           H        LYS  20   0.215  12.717  -7.636
  133    HA   LYS  20           HA       LYS  20  -0.511  15.040  -6.066
  134    HB2  LYS  20           1HB      LYS  20  -1.596  14.262  -8.189
  135    HB3  LYS  20           2HB      LYS  20  -2.297  12.903  -7.305
  136    HG2  LYS  20           1HG      LYS  20  -3.575  14.441  -5.883
  137    HG3  LYS  20           2HG      LYS  20  -2.754  15.841  -6.603
  138    HD2  LYS  20           1HD      LYS  20  -3.756  15.324  -8.797
  139    HD3  LYS  20           2HD      LYS  20  -4.546  13.886  -8.116
  140    HE2  LYS  20           1HE      LYS  20  -5.789  15.326  -6.517
  141    HE3  LYS  20           2HE      LYS  20  -4.995  16.759  -7.182
  142    HZ1  LYS  20           3HZ      LYS  20  -6.061  16.282  -9.320
  143    HZ2  LYS  20           1HZ      LYS  20  -7.194  16.434  -8.160
  144    HZ3  LYS  20           2HZ      LYS  20  -6.794  14.952  -8.714
  145    H    PHE  21           H        PHE  21  -0.432  11.614  -5.315
  146    HA   PHE  21           HA       PHE  21  -1.578  12.162  -2.610
  147    HB2  PHE  21           1HB      PHE  21  -2.203   9.744  -4.331
  148    HB3  PHE  21           2HB      PHE  21  -2.848  10.103  -2.741
  149    HD1  PHE  21           2HD      PHE  21  -4.278  12.270  -2.470
  150    HD2  PHE  21           1HD      PHE  21  -3.382  10.435  -6.268
  151    HE1  PHE  21           2HE      PHE  21  -6.247  13.397  -3.481
  152    HE2  PHE  21           1HE      PHE  21  -5.362  11.544  -7.271
  153    HZ   PHE  21           HZ       PHE  21  -6.801  13.025  -5.879
  154    H    LYS  22           H        LYS  22  -1.037  10.718  -0.959
  155    HA   LYS  22           HA       LYS  22   1.651   9.857  -0.779
  156    HB2  LYS  22           1HB      LYS  22   0.047  10.451   1.080
  157    HB3  LYS  22           2HB      LYS  22  -0.741   8.892   0.860
  158    HG2  LYS  22           1HG      LYS  22   1.315   7.715   1.495
  159    HG3  LYS  22           2HG      LYS  22   2.216   9.246   1.535
  160    HD2  LYS  22           1HD      LYS  22   0.757  10.080   3.345
  161    HD3  LYS  22           2HD      LYS  22  -0.159   8.571   3.345
  162    HE2  LYS  22           1HE      LYS  22   2.844   8.741   3.877
  163    HE3  LYS  22           2HE      LYS  22   1.630   8.873   5.150
  164    HZ1  LYS  22           3HZ      LYS  22   0.836   6.654   4.580
  165    HZ2  LYS  22           1HZ      LYS  22   2.420   6.598   4.952
  166    HZ3  LYS  22           2HZ      LYS  22   1.949   6.498   3.393
  167    H    HIS  23           H        HIS  23  -1.278   7.944  -1.513
  168    HA   HIS  23           HA       HIS  23   0.079   5.420  -1.658
  169    HB2  HIS  23           1HB      HIS  23  -1.965   4.597  -2.697
  170    HB3  HIS  23           2HB      HIS  23  -2.281   5.528  -1.242
  171    HD1  HIS  23           1HD      HIS  23  -4.015   7.493  -1.506
  172    HD2  HIS  23           2HD      HIS  23  -2.607   5.851  -5.117
  173    HE1  HIS  23           1HE      HIS  23  -5.429   8.522  -3.360
  174    H    SER  24           H        SER  24  -0.464   7.942  -4.132
  175    HA   SER  24           HA       SER  24   0.421   6.414  -6.391
  176    HB2  SER  24           1HB      SER  24   0.655   9.408  -5.923
  177    HB3  SER  24           2HB      SER  24   0.736   8.578  -7.483
  178    HG   SER  24           HG       SER  24  -1.432   7.964  -7.216
  179    H    LEU  25           H        LEU  25   2.229   8.622  -4.164
  180    HA   LEU  25           HA       LEU  25   4.791   8.054  -5.325
  181    HB2  LEU  25           1HB      LEU  25   4.449  10.030  -3.962
  182    HB3  LEU  25           2HB      LEU  25   3.999   9.049  -2.562
  183    HG   LEU  25           HG       LEU  25   6.284   8.123  -2.436
  184   HD11  LEU  25          1HD1      LEU  25   8.116   9.050  -3.760
  185   HD12  LEU  25          2HD1      LEU  25   6.983  10.049  -4.695
  186   HD13  LEU  25          3HD1      LEU  25   6.955   8.279  -4.833
  187   HD21  LEU  25          3HD2      LEU  25   5.729  10.196  -1.209
  188   HD22  LEU  25          1HD2      LEU  25   6.315  11.148  -2.595
  189   HD23  LEU  25          2HD2      LEU  25   7.436  10.121  -1.684
  190    H    GLN  26           H        GLN  26   3.108   6.512  -2.499
  191    HA   GLN  26           HA       GLN  26   5.220   4.719  -1.865
  192    HB2  GLN  26           1HB      GLN  26   2.215   4.618  -1.473
  193    HB3  GLN  26           2HB      GLN  26   3.232   3.285  -0.955
  194    HG2  GLN  26           1HG      GLN  26   3.603   6.187  -0.064
  195    HG3  GLN  26           2HG      GLN  26   2.745   4.960   0.861
  196   HE21  GLN  26          1HE2      GLN  26   5.077   6.452   1.789
  197   HE22  GLN  26          2HE2      GLN  26   6.324   5.247   2.063
  198    H    ALA  27           H        ALA  27   2.569   4.261  -4.249
  199    HA   ALA  27           HA       ALA  27   3.438   1.608  -4.982
  200    HB1  ALA  27           1HB      ALA  27   1.851   1.887  -6.816
  201    HB2  ALA  27           2HB      ALA  27   1.152   2.428  -5.270
  202    HB3  ALA  27           3HB      ALA  27   1.719   3.629  -6.460
  203    H    HIS  28           H        HIS  28   4.358   4.859  -6.143
  204    HA   HIS  28           HA       HIS  28   5.948   3.944  -8.379
  205    HB2  HIS  28           1HB      HIS  28   5.239   6.222  -8.358
  206    HB3  HIS  28           2HB      HIS  28   5.886   6.501  -6.744
  207    HD1  HIS  28           1HD      HIS  28   7.266   5.736 -10.281
  208    HD2  HIS  28           2HD      HIS  28   8.371   7.279  -6.530
  209    HE1  HIS  28           1HE      HIS  28   9.649   6.553 -10.545
  210    H    LEU  29           H        LEU  29   6.767   4.662  -4.949
  211    HA   LEU  29           HA       LEU  29   9.552   4.355  -5.129
  212    HB2  LEU  29           1HB      LEU  29   7.590   3.887  -2.863
  213    HB3  LEU  29           2HB      LEU  29   9.324   3.734  -2.625
  214    HG   LEU  29           HG       LEU  29   8.013   6.296  -3.624
  215   HD11  LEU  29          1HD1      LEU  29   7.261   5.749  -1.338
  216   HD12  LEU  29          2HD1      LEU  29   8.362   7.134  -1.334
  217   HD13  LEU  29          3HD1      LEU  29   8.949   5.535  -0.828
  218   HD21  LEU  29          3HD2      LEU  29  10.365   6.209  -4.233
  219   HD22  LEU  29          1HD2      LEU  29  10.806   5.703  -2.585
  220   HD23  LEU  29          2HD2      LEU  29  10.153   7.327  -2.895
  221    H    ARG  30           H        ARG  30   7.217   1.809  -5.321
  222    HA   ARG  30           HA       ARG  30   8.752  -0.450  -4.535
  223    HB2  ARG  30           1HB      ARG  30   6.724  -0.215  -6.796
  224    HB3  ARG  30           2HB      ARG  30   7.263  -1.722  -6.052
  225    HG2  ARG  30           1HG      ARG  30   6.342  -0.958  -3.853
  226    HG3  ARG  30           2HG      ARG  30   5.702   0.488  -4.642
  227    HD2  ARG  30           1HD      ARG  30   4.965  -2.388  -5.280
  228    HD3  ARG  30           2HD      ARG  30   3.963  -1.221  -4.400
  229    HE   ARG  30           HE       ARG  30   4.479   0.049  -6.809
  230   HH11  ARG  30          2HH1      ARG  30   2.922  -3.001  -6.002
  231   HH12  ARG  30          1HH1      ARG  30   2.111  -3.055  -7.567
  232   HH21  ARG  30          2HH2      ARG  30   3.357  -0.139  -8.739
  233   HH22  ARG  30          1HH2      ARG  30   2.330  -1.536  -8.993
  234    H    ILE  31           H        ILE  31   9.240   1.549  -7.414
  235    HA   ILE  31           HA       ILE  31  10.824  -0.505  -8.761
  236    HB   ILE  31           HB       ILE  31  11.271   1.010 -10.416
  237   HG12  ILE  31          1HG1      ILE  31  10.324   3.324  -8.699
  238   HG13  ILE  31          2HG1      ILE  31  11.973   2.982  -9.208
  239   HG21  ILE  31          1HG2      ILE  31   8.939   0.087 -10.229
  240   HG22  ILE  31          2HG2      ILE  31   8.422   1.660  -9.579
  241   HG23  ILE  31          3HG2      ILE  31   9.072   1.538 -11.225
  242   HD11  ILE  31          3HD1      ILE  31   9.680   3.796 -11.009
  243   HD12  ILE  31          1HD1      ILE  31  11.165   4.694 -10.632
  244   HD13  ILE  31          2HD1      ILE  31  11.257   3.208 -11.597
  245    H    HIS  32           H        HIS  32  11.494   1.912  -6.383
  246    HA   HIS  32           HA       HIS  32  14.411   1.914  -6.880
  247    HB2  HIS  32           1HB      HIS  32  12.718   3.466  -4.894
  248    HB3  HIS  32           2HB      HIS  32  14.438   3.694  -5.187
  249    HD1  HIS  32           1HD      HIS  32  14.882   4.268  -8.061
  250    HD2  HIS  32           2HD      HIS  32  11.317   5.265  -6.088
  251    HE1  HIS  32           1HE      HIS  32  13.846   6.147  -9.419
  252    H    THR  33           H        THR  33  12.142   0.392  -4.678
  253    HA   THR  33           HA       THR  33  14.218  -0.489  -2.782
  254    HB   THR  33           HB       THR  33  12.392  -1.770  -1.740
  255    HG1  THR  33           1HG      THR  33  10.256  -1.117  -2.534
  256   HG21  THR  33          3HG2      THR  33  12.796   0.610  -1.121
  257   HG22  THR  33          1HG2      THR  33  11.111   0.110  -0.916
  258   HG23  THR  33          2HG2      THR  33  11.574   1.109  -2.311
  259    H    ASN  34           H        ASN  34  13.868  -3.074  -2.293
  260    HA   ASN  34           HA       ASN  34  15.512  -4.385  -4.112
  261    HB2  ASN  34           1HB      ASN  34  14.977  -4.943  -1.686
  262    HB3  ASN  34           2HB      ASN  34  13.485  -5.699  -2.244
  263   HD21  ASN  34          1HD2      ASN  34  13.741  -7.691  -3.701
  264   HD22  ASN  34          2HD2      ASN  34  15.219  -8.606  -3.471
  265    H    GLU  35           H        GLU  35  15.222  -6.100  -5.642
  266    HA   GLU  35           HA       GLU  35  13.069  -5.846  -7.475
  267    HB2  GLU  35           1HB      GLU  35  14.001  -7.758  -8.611
  268    HB3  GLU  35           2HB      GLU  35  15.274  -6.647  -8.116
  269    HG2  GLU  35           1HG      GLU  35  15.797  -8.137  -6.173
  270    HG3  GLU  35           2HG      GLU  35  14.544  -9.258  -6.713
  271    H    LYS  36           H        LYS  36  11.458  -7.312  -8.130
  272    HA   LYS  36           HA       LYS  36  10.187  -8.909  -5.928
  273    HB2  LYS  36           1HB      LYS  36   8.910  -6.745  -7.633
  274    HB3  LYS  36           2HB      LYS  36   8.063  -7.809  -6.498
  275    HG2  LYS  36           1HG      LYS  36   9.338  -6.908  -4.613
  276    HG3  LYS  36           2HG      LYS  36  10.295  -5.917  -5.722
  277    HD2  LYS  36           1HD      LYS  36   8.227  -4.688  -6.406
  278    HD3  LYS  36           2HD      LYS  36   7.328  -5.610  -5.191
  279    HE2  LYS  36           1HE      LYS  36   7.919  -3.461  -4.240
  280    HE3  LYS  36           2HE      LYS  36   8.835  -4.723  -3.415
  281    HZ1  LYS  36           3HZ      LYS  36  10.265  -2.829  -3.984
  282    HZ2  LYS  36           1HZ      LYS  36   9.914  -2.951  -5.562
  283    HZ3  LYS  36           2HZ      LYS  36  10.767  -4.136  -4.816
  284    HA   PRO  37           HA       PRO  37  10.419 -11.293  -9.896
  285    HB2  PRO  37           1HB      PRO  37  10.712 -13.808  -8.756
  286    HB3  PRO  37           2HB      PRO  37  12.031 -12.659  -9.078
  287    HG2  PRO  37           1HG      PRO  37  10.567 -13.099  -6.473
  288    HG3  PRO  37           2HG      PRO  37  12.336 -13.002  -6.745
  289    HD2  PRO  37           1HD      PRO  37  10.945 -10.862  -5.879
  290    HD3  PRO  37           2HD      PRO  37  12.239 -10.656  -7.084
  291    H    TYR  38           H        TYR  38   8.409 -11.993  -7.063
  292    HA   TYR  38           HA       TYR  38   6.623 -13.759  -8.574
  293    HB2  TYR  38           1HB      TYR  38   6.549 -12.805  -5.695
  294    HB3  TYR  38           2HB      TYR  38   5.409 -13.933  -6.400
  295    HD1  TYR  38           1HD      TYR  38   6.233 -16.126  -7.384
  296    HD2  TYR  38           2HD      TYR  38   8.696 -13.567  -4.959
  297    HE1  TYR  38           1HE      TYR  38   7.759 -18.049  -6.895
  298    HE2  TYR  38           2HE      TYR  38  10.231 -15.473  -4.477
  299    HH   TYR  38           HH       TYR  38  10.674 -17.693  -4.840
  300    H    LYS  39           H        LYS  39   5.711 -12.523 -10.143
  301    HA   LYS  39           HA       LYS  39   4.248 -10.023  -9.470
  302    HB2  LYS  39           1HB      LYS  39   5.165 -11.246 -12.084
  303    HB3  LYS  39           2HB      LYS  39   4.180  -9.780 -11.979
  304    HG2  LYS  39           1HG      LYS  39   5.887  -8.599 -10.760
  305    HG3  LYS  39           2HG      LYS  39   6.857 -10.064 -10.552
  306    HD2  LYS  39           1HD      LYS  39   7.199 -10.181 -13.007
  307    HD3  LYS  39           2HD      LYS  39   6.261  -8.681 -13.202
  308    HE2  LYS  39           1HE      LYS  39   7.881  -7.482 -11.751
  309    HE3  LYS  39           2HE      LYS  39   8.798  -8.975 -11.522
  310    HZ1  LYS  39           3HZ      LYS  39   9.779  -7.588 -13.262
  311    HZ2  LYS  39           1HZ      LYS  39   8.401  -7.603 -14.133
  312    HZ3  LYS  39           2HZ      LYS  39   9.250  -8.983 -13.922
  313    H    CYS  40           H        CYS  40   2.152  -9.645  -9.803
  314    HA   CYS  40           HA       CYS  40   0.311 -11.869  -9.785
  315    HB2  CYS  40           1HB      CYS  40  -0.016  -9.881  -8.456
  316    HB3  CYS  40           2HB      CYS  40  -0.095  -8.876  -9.920
  317    HA   PRO  41           HA       PRO  41  -0.346 -11.804 -14.283
  318    HB2  PRO  41           1HB      PRO  41  -2.128 -13.837 -14.508
  319    HB3  PRO  41           2HB      PRO  41  -0.414 -14.118 -14.081
  320    HG2  PRO  41           1HG      PRO  41  -2.798 -13.961 -12.216
  321    HG3  PRO  41           2HG      PRO  41  -1.490 -15.182 -12.242
  322    HD2  PRO  41           1HD      PRO  41  -1.504 -12.974 -10.569
  323    HD3  PRO  41           2HD      PRO  41  -0.001 -13.748 -11.158
  324    H    GLN  42           H        GLN  42  -2.533 -10.829 -11.822
  325    HA   GLN  42           HA       GLN  42  -4.689 -10.141 -13.781
  326    HB2  GLN  42           1HB      GLN  42  -4.828 -10.440 -10.771
  327    HB3  GLN  42           2HB      GLN  42  -6.176 -10.046 -11.824
  328    HG2  GLN  42           1HG      GLN  42  -4.607 -12.656 -11.819
  329    HG3  GLN  42           2HG      GLN  42  -6.190 -12.403 -11.114
  330   HE21  GLN  42          1HE2      GLN  42  -5.772 -14.446 -13.005
  331   HE22  GLN  42          2HE2      GLN  42  -6.656 -14.011 -14.460
  332    H    CYS  43           H        CYS  43  -2.475  -8.587 -11.390
  333    HA   CYS  43           HA       CYS  43  -3.381  -5.982 -12.443
  334    HB2  CYS  43           1HB      CYS  43  -3.886  -5.059 -10.302
  335    HB3  CYS  43           2HB      CYS  43  -4.862  -6.499 -10.526
  336    H    SER  44           H        SER  44  -2.079  -4.198 -11.174
  337    HA   SER  44           HA       SER  44   0.684  -4.564 -11.935
  338    HB2  SER  44           1HB      SER  44  -0.643  -2.181 -10.603
  339    HB3  SER  44           2HB      SER  44   0.909  -2.187 -11.459
  340    HG   SER  44           HG       SER  44  -0.200  -2.690 -13.382
  341    H    TYR  45           H        TYR  45   0.243  -6.353  -9.904
  342    HA   TYR  45           HA       TYR  45   1.592  -5.276  -7.468
  343    HB2  TYR  45           1HB      TYR  45  -0.679  -6.133  -7.192
  344    HB3  TYR  45           2HB      TYR  45  -0.216  -7.679  -7.874
  345    HD1  TYR  45           1HD      TYR  45   1.266  -9.241  -6.478
  346    HD2  TYR  45           2HD      TYR  45  -0.066  -5.408  -4.990
  347    HE1  TYR  45           1HE      TYR  45   1.934  -9.899  -4.169
  348    HE2  TYR  45           2HE      TYR  45   0.593  -6.080  -2.685
  349    HH   TYR  45           HH       TYR  45   2.094  -9.228  -1.938
  350    H    ALA  46           H        ALA  46   3.389  -6.245  -6.616
  351    HA   ALA  46           HA       ALA  46   4.352  -8.793  -7.656
  352    HB1  ALA  46           1HB      ALA  46   6.531  -8.009  -8.320
  353    HB2  ALA  46           2HB      ALA  46   5.327  -7.051  -9.193
  354    HB3  ALA  46           3HB      ALA  46   6.161  -6.347  -7.793
  355    H    SER  47           H        SER  47   5.895  -9.818  -6.341
  356    HA   SER  47           HA       SER  47   6.528  -8.653  -3.673
  357    HB2  SER  47           1HB      SER  47   4.374  -9.918  -3.577
  358    HB3  SER  47           2HB      SER  47   5.236 -11.377  -4.104
  359    HG   SER  47           HG       SER  47   4.907 -10.661  -1.707
  360    H    ALA  48           H        ALA  48   7.963 -10.082  -2.427
  361    HA   ALA  48           HA       ALA  48  10.050 -11.417  -4.089
  362    HB1  ALA  48           1HB      ALA  48  10.796  -9.485  -2.759
  363    HB2  ALA  48           2HB      ALA  48  10.212 -10.276  -1.274
  364    HB3  ALA  48           3HB      ALA  48  11.549 -10.990  -2.203
  365    H    ILE  49           H        ILE  49   7.328 -12.333  -2.405
  366    HA   ILE  49           HA       ILE  49   8.505 -14.985  -1.679
  367    HB   ILE  49           HB       ILE  49   6.427 -13.533  -0.009
  368   HG12  ILE  49          1HG1      ILE  49   9.419 -13.774   0.508
  369   HG13  ILE  49          2HG1      ILE  49   8.521 -12.287   0.180
  370   HG21  ILE  49          1HG2      ILE  49   6.833 -15.327   1.616
  371   HG22  ILE  49          2HG2      ILE  49   6.399 -16.045   0.085
  372   HG23  ILE  49          3HG2      ILE  49   8.102 -16.018   0.584
  373   HD11  ILE  49          3HD1      ILE  49   8.316 -13.985   2.680
  374   HD12  ILE  49          1HD1      ILE  49   8.942 -12.342   2.512
  375   HD13  ILE  49          2HD1      ILE  49   7.208 -12.644   2.285
  376    H    LYS  50           H        LYS  50   7.464 -16.686  -2.491
  377    HA   LYS  50           HA       LYS  50   5.260 -16.462  -4.285
  378    HB2  LYS  50           1HB      LYS  50   7.028 -18.227  -4.335
  379    HB3  LYS  50           2HB      LYS  50   6.386 -18.917  -2.862
  380    HG2  LYS  50           1HG      LYS  50   5.736 -20.188  -4.848
  381    HG3  LYS  50           2HG      LYS  50   4.340 -19.576  -3.975
  382    HD2  LYS  50           1HD      LYS  50   4.005 -17.804  -5.660
  383    HD3  LYS  50           2HD      LYS  50   5.468 -18.341  -6.517
  384    HE2  LYS  50           1HE      LYS  50   4.454 -20.574  -6.853
  385    HE3  LYS  50           2HE      LYS  50   2.991 -20.041  -6.015
  386    HZ1  LYS  50           3HZ      LYS  50   4.025 -18.880  -8.551
  387    HZ2  LYS  50           1HZ      LYS  50   2.664 -18.389  -7.781
  388    HZ3  LYS  50           2HZ      LYS  50   2.748 -19.884  -8.425
  389    H    ALA  51           H        ALA  51   5.316 -17.569  -0.889
  390    HA   ALA  51           HA       ALA  51   2.561 -18.259  -0.692
  391    HB1  ALA  51           1HB      ALA  51   4.490 -17.266   1.457
  392    HB2  ALA  51           2HB      ALA  51   2.960 -18.121   1.737
  393    HB3  ALA  51           3HB      ALA  51   4.295 -18.951   0.920
  394    H    ASN  52           H        ASN  52   4.182 -15.087  -0.278
  395    HA   ASN  52           HA       ASN  52   1.809 -13.673   0.576
  396    HB2  ASN  52           1HB      ASN  52   4.061 -12.798   0.994
  397    HB3  ASN  52           2HB      ASN  52   4.383 -12.727  -0.745
  398   HD21  ASN  52          1HD2      ASN  52   2.364 -11.290   1.850
  399   HD22  ASN  52          2HD2      ASN  52   2.032  -9.831   0.929
  400    H    LEU  53           H        LEU  53   3.259 -14.251  -2.704
  401    HA   LEU  53           HA       LEU  53   1.196 -12.851  -4.087
  402    HB2  LEU  53           1HB      LEU  53   3.332 -13.430  -5.126
  403    HB3  LEU  53           2HB      LEU  53   2.951 -15.153  -5.011
  404    HG   LEU  53           HG       LEU  53   1.034 -14.851  -6.559
  405   HD11  LEU  53          1HD1      LEU  53   0.809 -12.731  -7.828
  406   HD12  LEU  53          2HD1      LEU  53   1.997 -11.959  -6.751
  407   HD13  LEU  53          3HD1      LEU  53   0.421 -12.505  -6.129
  408   HD21  LEU  53          3HD2      LEU  53   3.329 -15.362  -7.414
  409   HD22  LEU  53          1HD2      LEU  53   3.543 -13.620  -7.710
  410   HD23  LEU  53          2HD2      LEU  53   2.288 -14.517  -8.578
  411    H    ASN  54           H        ASN  54   1.309 -16.267  -2.940
  412    HA   ASN  54           HA       ASN  54  -1.172 -17.059  -4.117
  413    HB2  ASN  54           1HB      ASN  54   0.466 -18.630  -3.172
  414    HB3  ASN  54           2HB      ASN  54   0.166 -18.009  -1.551
  415   HD21  ASN  54          1HD2      ASN  54  -1.504 -18.945  -0.363
  416   HD22  ASN  54          2HD2      ASN  54  -2.654 -20.066  -1.073
  417    H    VAL  55           H        VAL  55  -0.561 -15.505  -0.925
  418    HA   VAL  55           HA       VAL  55  -3.351 -15.297  -0.186
  419    HB   VAL  55           HB       VAL  55  -0.905 -13.752   0.704
  420   HG11  VAL  55          1HG1      VAL  55  -3.709 -13.740   1.904
  421   HG12  VAL  55          2HG1      VAL  55  -2.256 -13.096   2.698
  422   HG13  VAL  55          3HG1      VAL  55  -2.845 -12.344   1.217
  423   HG21  VAL  55          3HG2      VAL  55  -1.075 -15.171   2.705
  424   HG22  VAL  55          1HG2      VAL  55  -2.510 -15.979   2.032
  425   HG23  VAL  55          2HG2      VAL  55  -0.925 -16.175   1.262
  426    H    HIS  56           H        HIS  56  -1.245 -13.178  -2.118
  427    HA   HIS  56           HA       HIS  56  -3.208 -11.093  -2.459
  428    HB2  HIS  56           1HB      HIS  56  -0.844 -10.699  -2.846
  429    HB3  HIS  56           2HB      HIS  56  -0.817 -11.894  -4.144
  430    HD1  HIS  56           1HD      HIS  56  -2.239  -8.391  -3.427
  431    HD2  HIS  56           2HD      HIS  56  -1.740 -11.193  -6.521
  432    HE1  HIS  56           1HE      HIS  56  -3.024  -7.234  -5.539
  433    H    LEU  57           H        LEU  57  -2.511 -14.013  -4.470
  434    HA   LEU  57           HA       LEU  57  -4.494 -13.504  -6.482
  435    HB2  LEU  57           1HB      LEU  57  -3.208 -16.005  -5.390
  436    HB3  LEU  57           2HB      LEU  57  -4.341 -16.069  -6.730
  437    HG   LEU  57           HG       LEU  57  -1.818 -14.356  -6.836
  438   HD11  LEU  57          1HD1      LEU  57  -0.797 -16.218  -8.084
  439   HD12  LEU  57          2HD1      LEU  57  -2.236 -17.224  -7.770
  440   HD13  LEU  57          3HD1      LEU  57  -1.199 -16.696  -6.426
  441   HD21  LEU  57          3HD2      LEU  57  -2.158 -14.641  -9.282
  442   HD22  LEU  57          1HD2      LEU  57  -3.491 -13.766  -8.520
  443   HD23  LEU  57          2HD2      LEU  57  -3.688 -15.478  -8.969
  444    H    ARG  58           H        ARG  58  -4.763 -15.018  -3.293
  445    HA   ARG  58           HA       ARG  58  -7.526 -15.799  -3.468
  446    HB2  ARG  58           1HB      ARG  58  -5.765 -15.078  -1.105
  447    HB3  ARG  58           2HB      ARG  58  -7.429 -15.626  -0.926
  448    HG2  ARG  58           1HG      ARG  58  -6.960 -17.760  -1.923
  449    HG3  ARG  58           2HG      ARG  58  -5.363 -17.252  -2.457
  450    HD2  ARG  58           1HD      ARG  58  -5.093 -18.656  -0.509
  451    HD3  ARG  58           2HD      ARG  58  -4.617 -17.015  -0.108
  452    HE   ARG  58           HE       ARG  58  -6.382 -16.837   1.395
  453   HH11  ARG  58          2HH1      ARG  58  -6.917 -19.780  -0.442
  454   HH12  ARG  58          1HH1      ARG  58  -8.192 -20.310   0.620
  455   HH21  ARG  58          2HH2      ARG  58  -8.016 -17.576   2.695
  456   HH22  ARG  58          1HH2      ARG  58  -8.791 -19.091   2.343
  457    H    LYS  59           H        LYS  59  -6.280 -12.595  -3.465
  458    HA   LYS  59           HA       LYS  59  -8.816 -11.354  -2.576
  459    HB2  LYS  59           1HB      LYS  59  -6.458 -10.039  -3.978
  460    HB3  LYS  59           2HB      LYS  59  -7.781  -9.250  -3.128
  461    HG2  LYS  59           1HG      LYS  59  -7.018 -10.316  -0.994
  462    HG3  LYS  59           2HG      LYS  59  -5.619 -10.980  -1.866
  463    HD2  LYS  59           1HD      LYS  59  -4.902  -8.703  -2.489
  464    HD3  LYS  59           2HD      LYS  59  -6.250  -8.013  -1.577
  465    HE2  LYS  59           1HE      LYS  59  -4.050  -9.777  -0.390
  466    HE3  LYS  59           2HE      LYS  59  -4.027  -8.010  -0.378
  467    HZ1  LYS  59           3HZ      LYS  59  -4.897  -8.854   1.706
  468    HZ2  LYS  59           1HZ      LYS  59  -6.083  -9.687   0.961
  469    HZ3  LYS  59           2HZ      LYS  59  -6.085  -8.050   0.933
  470    H    HIS  60           H        HIS  60  -7.500 -12.566  -5.567
  471    HA   HIS  60           HA       HIS  60  -9.279 -10.929  -7.261
  472    HB2  HIS  60           1HB      HIS  60  -7.111 -12.976  -7.858
  473    HB3  HIS  60           2HB      HIS  60  -8.122 -12.244  -9.095
  474    HD1  HIS  60           1HD      HIS  60  -8.084  -9.348  -8.902
  475    HD2  HIS  60           2HD      HIS  60  -4.852 -11.669  -7.531
  476    HE1  HIS  60           1HE      HIS  60  -6.099  -7.780  -8.839
  477    H    THR  61           H        THR  61  -9.267 -14.204  -5.964
  478    HA   THR  61           HA       THR  61 -11.436 -15.139  -7.697
  479    HB   THR  61           HB       THR  61  -9.804 -16.679  -6.690
  480    HG1  THR  61           1HG      THR  61 -11.353 -18.216  -6.211
  481   HG21  THR  61          3HG2      THR  61 -11.306 -16.231  -4.072
  482   HG22  THR  61          1HG2      THR  61  -9.653 -15.676  -4.408
  483   HG23  THR  61          2HG2      THR  61 -10.010 -17.409  -4.382
  484    H    GLY  62           H        GLY  62 -13.599 -15.755  -6.857
  485    HA2  GLY  62           1HA      GLY  62 -14.769 -14.448  -4.580
  486    HA3  GLY  62           2HA      GLY  62 -15.014 -13.466  -6.024
  487    H    GLU  63           H        GLU  63 -17.263 -13.977  -5.141
  488    HA   GLU  63           HA       GLU  63 -18.400 -16.608  -5.781
  489    HB2  GLU  63           1HB      GLU  63 -19.547 -14.053  -4.580
  490    HB3  GLU  63           2HB      GLU  63 -20.479 -15.521  -4.821
  491    HG2  GLU  63           1HG      GLU  63 -18.039 -15.237  -3.040
  492    HG3  GLU  63           2HG      GLU  63 -19.714 -15.327  -2.504
  493    H    LYS  64           H        LYS  64 -20.536 -16.613  -6.721
  494    HA   LYS  64           HA       LYS  64 -20.614 -15.459  -9.445
  495    HB2  LYS  64           1HB      LYS  64 -22.405 -17.397  -7.933
  496    HB3  LYS  64           2HB      LYS  64 -22.820 -16.748  -9.525
  497    HG2  LYS  64           1HG      LYS  64 -20.687 -17.640 -10.447
  498    HG3  LYS  64           2HG      LYS  64 -20.348 -18.401  -8.876
  499    HD2  LYS  64           1HD      LYS  64 -22.443 -19.729  -9.061
  500    HD3  LYS  64           2HD      LYS  64 -22.848 -18.891 -10.562
  501    HE2  LYS  64           1HE      LYS  64 -21.997 -20.985 -11.220
  502    HE3  LYS  64           2HE      LYS  64 -20.757 -19.786 -11.605
  503    HZ1  LYS  64           3HZ      LYS  64 -19.572 -20.476  -9.571
  504    HZ2  LYS  64           1HZ      LYS  64 -19.814 -21.770 -10.536
  505    HZ3  LYS  64           2HZ      LYS  64 -20.741 -21.563  -9.214
  506    H    PHE  65           H        PHE  65 -22.323 -14.326 -10.284
  507    HA   PHE  65           HA       PHE  65 -24.128 -12.801  -8.462
  508    HB2  PHE  65           1HB      PHE  65 -22.981 -11.891 -11.130
  509    HB3  PHE  65           2HB      PHE  65 -24.014 -10.967 -10.046
  510    HD1  PHE  65           2HD      PHE  65 -23.124 -10.056  -7.901
  511    HD2  PHE  65           1HD      PHE  65 -20.595 -12.160 -10.688
  512    HE1  PHE  65           2HE      PHE  65 -21.107  -9.203  -6.723
  513    HE2  PHE  65           1HE      PHE  65 -18.583 -11.311  -9.503
  514    HZ   PHE  65           HZ       PHE  65 -18.838  -9.818  -7.531
  515    H    ALA  66           H        ALA  66 -26.291 -12.510  -9.274
  516    HA   ALA  66           HA       ALA  66 -27.103 -14.425 -11.422
  517    HB1  ALA  66           1HB      ALA  66 -28.430 -14.009  -8.717
  518    HB2  ALA  66           2HB      ALA  66 -28.957 -15.122  -9.998
  519    HB3  ALA  66           3HB      ALA  66 -27.413 -15.397  -9.164
  520    H    CYS  67           H        CYS  67 -28.790 -13.924 -12.704
  521    HA   CYS  67           HA       CYS  67 -29.409 -11.183 -13.184
  522    HB2  CYS  67           1HB      CYS  67 -29.212 -12.991 -14.846
  523    HB3  CYS  67           2HB      CYS  67 -30.684 -13.743 -14.218
  524    H    ASP  68           H        ASP  68 -31.222 -10.005 -12.914
  525    HA   ASP  68           HA       ASP  68 -33.052 -10.752 -10.706
  526    HB2  ASP  68           1HB      ASP  68 -31.854  -8.539 -10.806
  527    HB3  ASP  68           2HB      ASP  68 -32.811  -8.136 -12.230
  528    H    TYR  69           H        TYR  69 -33.013 -11.033 -14.061
  529    HA   TYR  69           HA       TYR  69 -35.982 -10.758 -14.372
  530    HB2  TYR  69           1HB      TYR  69 -33.766 -10.418 -16.387
  531    HB3  TYR  69           2HB      TYR  69 -35.481 -10.177 -16.692
  532    HD1  TYR  69           1HD      TYR  69 -36.666  -8.212 -15.701
  533    HD2  TYR  69           2HD      TYR  69 -32.405  -8.755 -15.294
  534    HE1  TYR  69           1HE      TYR  69 -36.418  -5.817 -15.066
  535    HE2  TYR  69           2HE      TYR  69 -32.159  -6.365 -14.650
  536    HH   TYR  69           HH       TYR  69 -33.229  -4.376 -14.263
  537    H    CYS  70           H        CYS  70 -33.319 -13.010 -14.720
  538    HA   CYS  70           HA       CYS  70 -35.189 -15.141 -15.442
  539    HB2  CYS  70           1HB      CYS  70 -34.010 -15.973 -17.325
  540    HB3  CYS  70           2HB      CYS  70 -34.409 -14.294 -17.623
  541    H    SER  71           H        SER  71 -33.384 -17.196 -15.835
  542    HA   SER  71           HA       SER  71 -32.408 -17.673 -13.103
  543    HB2  SER  71           1HB      SER  71 -32.183 -20.008 -13.890
  544    HB3  SER  71           2HB      SER  71 -33.807 -19.345 -14.121
  545    HG   SER  71           HG       SER  71 -33.046 -20.473 -15.982
  546    H    PHE  72           H        PHE  72 -30.914 -16.272 -15.720
  547    HA   PHE  72           HA       PHE  72 -28.485 -17.691 -16.008
  548    HB2  PHE  72           1HB      PHE  72 -29.326 -16.022 -17.578
  549    HB3  PHE  72           2HB      PHE  72 -29.134 -14.759 -16.376
  550    HD1  PHE  72           1HD      PHE  72 -27.221 -17.182 -18.496
  551    HD2  PHE  72           2HD      PHE  72 -27.089 -13.594 -16.113
  552    HE1  PHE  72           1HE      PHE  72 -24.931 -16.700 -19.338
  553    HE2  PHE  72           2HE      PHE  72 -24.805 -13.108 -16.962
  554    HZ   PHE  72           HZ       PHE  72 -23.723 -14.665 -18.578
  555    H    THR  73           H        THR  73 -26.435 -17.496 -15.202
  556    HA   THR  73           HA       THR  73 -25.852 -15.617 -12.992
  557    HB   THR  73           HB       THR  73 -24.559 -17.354 -11.796
  558    HG1  THR  73           1HG      THR  73 -25.069 -19.544 -12.287
  559   HG21  THR  73          3HG2      THR  73 -26.391 -18.502 -10.711
  560   HG22  THR  73          1HG2      THR  73 -27.482 -18.156 -12.074
  561   HG23  THR  73          2HG2      THR  73 -26.871 -16.834 -11.058
  562    H    CYS  74           H        CYS  74 -23.657 -15.078 -12.732
  563    HA   CYS  74           HA       CYS  74 -21.689 -16.116 -14.673
  564    HB2  CYS  74           1HB      CYS  74 -22.886 -14.140 -15.739
  565    HB3  CYS  74           2HB      CYS  74 -22.228 -13.123 -14.442
  566    HG   CYS  74           HG       CYS  74 -20.657 -15.008 -16.695
  567    H    LEU  75           H        LEU  75 -19.482 -15.619 -14.097
  568    HA   LEU  75           HA       LEU  75 -19.016 -15.267 -11.210
  569    HB2  LEU  75           1HB      LEU  75 -17.242 -15.940 -13.588
  570    HB3  LEU  75           2HB      LEU  75 -16.592 -15.558 -12.003
  571    HG   LEU  75           HG       LEU  75 -17.906 -17.432 -10.997
  572   HD11  LEU  75          1HD1      LEU  75 -18.434 -18.162 -13.913
  573   HD12  LEU  75          2HD1      LEU  75 -19.654 -17.849 -12.655
  574   HD13  LEU  75          3HD1      LEU  75 -18.621 -19.273 -12.543
  575   HD21  LEU  75          3HD2      LEU  75 -15.520 -17.633 -11.596
  576   HD22  LEU  75          1HD2      LEU  75 -15.968 -18.165 -13.232
  577   HD23  LEU  75          2HD2      LEU  75 -16.367 -19.169 -11.819
  578    H    SER  76           H        SER  76 -19.341 -13.107 -13.803
  579    HA   SER  76           HA       SER  76 -17.834 -10.960 -12.348
  580    HB2  SER  76           1HB      SER  76 -17.992 -11.403 -15.354
  581    HB3  SER  76           2HB      SER  76 -17.336  -9.959 -14.564
  582    HG   SER  76           HG       SER  76 -16.368 -12.632 -14.329
  583    H    LYS  77           H        LYS  77 -19.073  -9.329 -11.733
  584    HA   LYS  77           HA       LYS  77 -21.849  -9.142 -12.381
  585    HB2  LYS  77           1HB      LYS  77 -20.659  -8.431 -10.257
  586    HB3  LYS  77           2HB      LYS  77 -20.120  -6.981 -11.114
  587    HG2  LYS  77           1HG      LYS  77 -22.495  -6.344 -11.501
  588    HG3  LYS  77           2HG      LYS  77 -23.026  -7.840 -10.705
  589    HD2  LYS  77           1HD      LYS  77 -21.945  -7.100  -8.596
  590    HD3  LYS  77           2HD      LYS  77 -21.415  -5.604  -9.395
  591    HE2  LYS  77           1HE      LYS  77 -23.788  -5.014  -9.851
  592    HE3  LYS  77           2HE      LYS  77 -24.312  -6.500  -9.050
  593    HZ1  LYS  77           3HZ      LYS  77 -22.828  -4.287  -7.730
  594    HZ2  LYS  77           1HZ      LYS  77 -23.315  -5.660  -6.987
  595    HZ3  LYS  77           2HZ      LYS  77 -24.419  -4.598  -7.544
  596    H    GLY  78           H        GLY  78 -19.060  -7.467 -13.779
  597    HA2  GLY  78           1HA      GLY  78 -20.471  -5.527 -15.353
  598    HA3  GLY  78           2HA      GLY  78 -18.869  -6.190 -15.704
  599    H    HIS  79           H        HIS  79 -19.503  -8.921 -16.106
  600    HA   HIS  79           HA       HIS  79 -20.645  -8.910 -18.763
  601    HB2  HIS  79           1HB      HIS  79 -18.856 -10.453 -17.973
  602    HB3  HIS  79           2HB      HIS  79 -20.032 -11.254 -16.935
  603    HD1  HIS  79           1HD      HIS  79 -18.891 -11.098 -20.551
  604    HD2  HIS  79           2HD      HIS  79 -22.035 -12.682 -18.245
  605    HE1  HIS  79           1HE      HIS  79 -20.088 -12.790 -22.038
  606    H    LEU  80           H        LEU  80 -21.946  -9.798 -15.532
  607    HA   LEU  80           HA       LEU  80 -24.507 -10.659 -16.464
  608    HB2  LEU  80           1HB      LEU  80 -23.697 -11.091 -14.192
  609    HB3  LEU  80           2HB      LEU  80 -23.678  -9.363 -13.843
  610    HG   LEU  80           HG       LEU  80 -26.144  -9.257 -14.103
  611   HD11  LEU  80          1HD1      LEU  80 -25.939 -12.287 -14.415
  612   HD12  LEU  80          2HD1      LEU  80 -26.523 -11.141 -15.651
  613   HD13  LEU  80          3HD1      LEU  80 -27.436 -11.364 -14.168
  614   HD21  LEU  80          3HD2      LEU  80 -25.254 -11.430 -12.187
  615   HD22  LEU  80          1HD2      LEU  80 -26.688 -10.385 -12.045
  616   HD23  LEU  80          2HD2      LEU  80 -25.075  -9.679 -11.903
  617    H    LYS  81           H        LYS  81 -23.336  -7.344 -15.623
  618    HA   LYS  81           HA       LYS  81 -25.815  -6.032 -16.193
  619    HB2  LYS  81           1HB      LYS  81 -23.889  -5.035 -14.964
  620    HB3  LYS  81           2HB      LYS  81 -22.977  -4.950 -16.466
  621    HG2  LYS  81           1HG      LYS  81 -23.929  -2.793 -15.832
  622    HG3  LYS  81           2HG      LYS  81 -24.551  -3.327 -17.395
  623    HD2  LYS  81           1HD      LYS  81 -26.715  -3.809 -16.501
  624    HD3  LYS  81           2HD      LYS  81 -26.104  -3.853 -14.841
  625    HE2  LYS  81           1HE      LYS  81 -27.390  -1.835 -15.142
  626    HE3  LYS  81           2HE      LYS  81 -25.692  -1.437 -14.867
  627    HZ1  LYS  81           3HZ      LYS  81 -26.603  -0.107 -16.656
  628    HZ2  LYS  81           1HZ      LYS  81 -27.081  -1.406 -17.511
  629    HZ3  LYS  81           2HZ      LYS  81 -25.479  -1.099 -17.296
  630    H    VAL  82           H        VAL  82 -23.096  -6.844 -18.385
  631    HA   VAL  82           HA       VAL  82 -24.298  -5.798 -20.773
  632    HB   VAL  82           HB       VAL  82 -22.276  -8.023 -20.354
  633   HG11  VAL  82          1HG1      VAL  82 -23.321  -8.478 -22.512
  634   HG12  VAL  82          2HG1      VAL  82 -23.193  -6.761 -22.971
  635   HG13  VAL  82          3HG1      VAL  82 -21.733  -7.759 -22.774
  636   HG21  VAL  82          3HG2      VAL  82 -21.566  -5.693 -19.768
  637   HG22  VAL  82          1HG2      VAL  82 -20.686  -6.338 -21.157
  638   HG23  VAL  82          2HG2      VAL  82 -22.002  -5.169 -21.403
  639    H    HIS  83           H        HIS  83 -24.653  -9.081 -19.290
  640    HA   HIS  83           HA       HIS  83 -26.483 -10.117 -21.214
  641    HB2  HIS  83           1HB      HIS  83 -25.567 -11.622 -19.639
  642    HB3  HIS  83           2HB      HIS  83 -26.034 -10.642 -18.266
  643    HD1  HIS  83           1HD      HIS  83 -27.487 -13.276 -20.587
  644    HD2  HIS  83           2HD      HIS  83 -28.572 -10.794 -17.376
  645    HE1  HIS  83           1HE      HIS  83 -29.724 -14.147 -19.769
  646    H    ILE  84           H        ILE  84 -27.171  -8.114 -18.288
  647    HA   ILE  84           HA       ILE  84 -30.009  -8.080 -18.687
  648    HB   ILE  84           HB       ILE  84 -28.176  -6.198 -17.175
  649   HG12  ILE  84          1HG1      ILE  84 -30.132  -8.317 -16.151
  650   HG13  ILE  84          2HG1      ILE  84 -28.436  -8.652 -16.433
  651   HG21  ILE  84          1HG2      ILE  84 -30.230  -4.970 -17.770
  652   HG22  ILE  84          2HG2      ILE  84 -31.229  -6.317 -17.171
  653   HG23  ILE  84          3HG2      ILE  84 -30.234  -5.349 -16.058
  654   HD11  ILE  84          3HD1      ILE  84 -29.526  -6.683 -14.396
  655   HD12  ILE  84          1HD1      ILE  84 -28.730  -8.233 -14.099
  656   HD13  ILE  84          2HD1      ILE  84 -27.800  -6.889 -14.789
  657    H    GLU  85           H        GLU  85 -27.517  -5.732 -19.812
  658    HA   GLU  85           HA       GLU  85 -29.387  -4.017 -21.152
  659    HB2  GLU  85           1HB      GLU  85 -26.439  -4.575 -21.709
  660    HB3  GLU  85           2HB      GLU  85 -27.354  -3.292 -22.478
  661    HG2  GLU  85           1HG      GLU  85 -26.738  -3.517 -19.511
  662    HG3  GLU  85           2HG      GLU  85 -25.971  -2.436 -20.660
  663    H    ARG  86           H        ARG  86 -27.767  -6.980 -22.313
  664    HA   ARG  86           HA       ARG  86 -28.720  -6.589 -25.073
  665    HB2  ARG  86           1HB      ARG  86 -27.185  -8.817 -23.692
  666    HB3  ARG  86           2HB      ARG  86 -27.678  -8.875 -25.388
  667    HG2  ARG  86           1HG      ARG  86 -26.434  -6.797 -25.869
  668    HG3  ARG  86           2HG      ARG  86 -25.902  -6.706 -24.179
  669    HD2  ARG  86           1HD      ARG  86 -24.790  -8.902 -24.412
  670    HD3  ARG  86           2HD      ARG  86 -25.324  -8.995 -26.104
  671    HE   ARG  86           HE       ARG  86 -23.930  -6.564 -25.841
  672   HH11  ARG  86          2HH1      ARG  86 -23.106  -9.962 -25.631
  673   HH12  ARG  86          1HH1      ARG  86 -21.452  -9.684 -26.097
  674   HH21  ARG  86          1HH2      ARG  86 -21.806  -6.280 -26.431
  675   HH22  ARG  86          2HH2      ARG  86 -20.742  -7.651 -26.541
  676    H    VAL  87           H        VAL  87 -29.706  -8.668 -22.369
  677    HA   VAL  87           HA       VAL  87 -31.666 -10.050 -24.124
  678    HB   VAL  87           HB       VAL  87 -30.796 -10.722 -21.293
  679   HG11  VAL  87          1HG1      VAL  87 -32.321 -12.354 -23.369
  680   HG12  VAL  87          2HG1      VAL  87 -31.714 -12.964 -21.813
  681   HG13  VAL  87          3HG1      VAL  87 -32.971 -11.730 -21.838
  682   HG21  VAL  87          3HG2      VAL  87 -29.476 -12.536 -22.401
  683   HG22  VAL  87          1HG2      VAL  87 -29.885 -11.847 -23.986
  684   HG23  VAL  87          2HG2      VAL  87 -28.879 -10.936 -22.838
  685    H    HIS  88           H        HIS  88 -31.667  -7.924 -21.266
  686    HA   HIS  88           HA       HIS  88 -34.642  -8.192 -21.108
  687    HB2  HIS  88           1HB      HIS  88 -32.661  -7.523 -18.919
  688    HB3  HIS  88           2HB      HIS  88 -34.399  -7.751 -18.733
  689    HD1  HIS  88           1HD      HIS  88 -35.171 -10.421 -19.719
  690    HD2  HIS  88           2HD      HIS  88 -31.314  -9.627 -18.266
  691    HE1  HIS  88           1HE      HIS  88 -34.206 -12.673 -19.048
  692    H    LYS  89           H        LYS  89 -32.358  -5.944 -22.082
  693    HA   LYS  89           HA       LYS  89 -34.315  -3.708 -21.778
  694    HB2  LYS  89           1HB      LYS  89 -31.322  -3.494 -21.526
  695    HB3  LYS  89           2HB      LYS  89 -32.436  -2.131 -21.605
  696    HG2  LYS  89           1HG      LYS  89 -33.592  -2.929 -19.565
  697    HG3  LYS  89           2HG      LYS  89 -32.440  -4.269 -19.424
  698    HD2  LYS  89           1HD      LYS  89 -30.581  -2.706 -19.197
  699    HD3  LYS  89           2HD      LYS  89 -31.664  -1.318 -19.362
  700    HE2  LYS  89           1HE      LYS  89 -31.825  -3.421 -17.149
  701    HE3  LYS  89           2HE      LYS  89 -30.982  -1.878 -17.000
  702    HZ1  LYS  89           3HZ      LYS  89 -33.112  -0.748 -17.383
  703    HZ2  LYS  89           1HZ      LYS  89 -33.207  -1.723 -16.079
  704    HZ3  LYS  89           2HZ      LYS  89 -33.900  -2.180 -17.481
  705    H    LYS  90           H        LYS  90 -34.038  -1.991 -23.375
  706    HA   LYS  90           HA       LYS  90 -33.046  -2.836 -26.056
  707    HB2  LYS  90           1HB      LYS  90 -35.897  -1.931 -25.442
  708    HB3  LYS  90           2HB      LYS  90 -35.203  -2.038 -27.063
  709    HG2  LYS  90           1HG      LYS  90 -34.801  -4.479 -26.725
  710    HG3  LYS  90           2HG      LYS  90 -35.606  -4.368 -25.145
  711    HD2  LYS  90           1HD      LYS  90 -37.695  -3.607 -26.250
  712    HD3  LYS  90           2HD      LYS  90 -36.879  -3.636 -27.817
  713    HE2  LYS  90           1HE      LYS  90 -38.190  -5.619 -27.686
  714    HE3  LYS  90           2HE      LYS  90 -36.494  -6.092 -27.569
  715    HZ1  LYS  90           3HZ      LYS  90 -37.889  -7.240 -25.931
  716    HZ2  LYS  90           1HZ      LYS  90 -38.356  -5.830 -25.260
  717    HZ3  LYS  90           2HZ      LYS  90 -36.794  -6.312 -25.157
  718    H    ILE  91           H        ILE  91 -32.887  -1.118 -27.584
  719    HA   ILE  91           HA       ILE  91 -33.051   1.659 -26.645
  720    HB   ILE  91           HB       ILE  91 -30.808   0.897 -25.986
  721   HG12  ILE  91          1HG1      ILE  91 -30.663   2.899 -28.269
  722   HG13  ILE  91          2HG1      ILE  91 -31.325   3.252 -26.668
  723   HG21  ILE  91          1HG2      ILE  91 -29.081   0.299 -27.591
  724   HG22  ILE  91          2HG2      ILE  91 -30.432  -0.811 -27.778
  725   HG23  ILE  91          3HG2      ILE  91 -30.203   0.503 -28.951
  726   HD11  ILE  91          3HD1      ILE  91 -29.111   2.683 -25.650
  727   HD12  ILE  91          1HD1      ILE  91 -28.445   2.480 -27.290
  728   HD13  ILE  91          2HD1      ILE  91 -29.052   4.059 -26.771
  729    H    LYS  92           H        LYS  92 -33.227   3.177 -28.303
  730    HA   LYS  92           HA       LYS  92 -33.257   2.330 -31.133
  731    HB2  LYS  92           1HB      LYS  92 -35.538   1.881 -30.223
  732    HB3  LYS  92           2HB      LYS  92 -35.682   3.588 -29.777
  733    HG2  LYS  92           1HG      LYS  92 -35.413   4.228 -32.170
  734    HG3  LYS  92           2HG      LYS  92 -35.267   2.523 -32.614
  735    HD2  LYS  92           1HD      LYS  92 -37.710   3.809 -31.310
  736    HD3  LYS  92           2HD      LYS  92 -37.521   3.493 -33.041
  737    HE2  LYS  92           1HE      LYS  92 -37.285   1.055 -32.566
  738    HE3  LYS  92           2HE      LYS  92 -37.541   1.374 -30.845
  739    HZ1  LYS  92           3HZ      LYS  92 -39.514   1.948 -32.992
  740    HZ2  LYS  92           1HZ      LYS  92 -39.748   2.246 -31.402
  741    HZ3  LYS  92           2HZ      LYS  92 -39.604   0.711 -31.933
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1   0.509  22.137 -49.327
    2    H2   GLY   1           2H       GLY   1   1.971  21.905 -48.624
    3    H3   GLY   1           3H       GLY   1   0.995  23.108 -48.099
    4    HA2  GLY   1           1HA      GLY   1  -0.644  21.525 -47.314
    5    HA3  GLY   1           2HA      GLY   1   0.426  20.226 -47.870
    6    H    SER   2           H        SER   2   0.431  19.420 -45.692
    7    HA   SER   2           HA       SER   2   2.576  20.570 -44.030
    8    HB2  SER   2           1HB      SER   2   0.393  21.572 -43.224
    9    HB3  SER   2           2HB      SER   2  -0.131  19.931 -42.803
   10    HG   SER   2           HG       SER   2   0.858  21.067 -41.039
   11    H    SER   3           H        SER   3   3.338  19.058 -42.388
   12    HA   SER   3           HA       SER   3   3.680  16.422 -43.468
   13    HB2  SER   3           1HB      SER   3   4.444  17.503 -40.731
   14    HB3  SER   3           2HB      SER   3   5.046  16.007 -41.474
   15    HG   SER   3           HG       SER   3   6.487  17.781 -41.783
   16    H    GLY   4           H        GLY   4   2.979  14.434 -42.832
   17    HA2  GLY   4           1HA      GLY   4   0.510  14.169 -41.273
   18    HA3  GLY   4           2HA      GLY   4   1.407  12.888 -42.080
   19    H    SER   5           H        SER   5   0.453  12.129 -39.800
   20    HA   SER   5           HA       SER   5   2.210  12.503 -37.503
   21    HB2  SER   5           1HB      SER   5   0.851  10.660 -36.530
   22    HB3  SER   5           2HB      SER   5  -0.105  12.034 -37.107
   23    HG   SER   5           HG       SER   5  -1.003  10.018 -37.754
   24    H    SER   6           H        SER   6   3.384  10.722 -36.465
   25    HA   SER   6           HA       SER   6   5.222   9.470 -38.304
   26    HB2  SER   6           1HB      SER   6   5.902  10.291 -36.093
   27    HB3  SER   6           2HB      SER   6   4.914   9.034 -35.315
   28    HG   SER   6           HG       SER   6   7.237   8.566 -35.683
   29    H    GLY   7           H        GLY   7   5.508   7.385 -38.900
   30    HA2  GLY   7           1HA      GLY   7   3.196   5.574 -38.817
   31    HA3  GLY   7           2HA      GLY   7   4.674   5.388 -39.759
   32    H    LYS   8           H        LYS   8   5.715   5.952 -36.627
   33    HA   LYS   8           HA       LYS   8   6.607   3.229 -36.368
   34    HB2  LYS   8           1HB      LYS   8   7.885   3.928 -34.523
   35    HB3  LYS   8           2HB      LYS   8   7.931   5.233 -35.708
   36    HG2  LYS   8           1HG      LYS   8   6.117   6.407 -34.363
   37    HG3  LYS   8           2HG      LYS   8   6.279   5.148 -33.137
   38    HD2  LYS   8           1HD      LYS   8   8.494   7.030 -34.054
   39    HD3  LYS   8           2HD      LYS   8   7.548   7.191 -32.569
   40    HE2  LYS   8           1HE      LYS   8   8.416   4.997 -31.772
   41    HE3  LYS   8           2HE      LYS   8   9.372   4.839 -33.251
   42    HZ1  LYS   8           3HZ      LYS   8  10.594   6.842 -32.619
   43    HZ2  LYS   8           1HZ      LYS   8  10.710   5.729 -31.435
   44    HZ3  LYS   8           2HZ      LYS   8   9.715   7.012 -31.252
   45    H    ILE   9           H        ILE   9   6.459   1.845 -34.577
   46    HA   ILE   9           HA       ILE   9   3.834   1.766 -33.156
   47    HB   ILE   9           HB       ILE   9   5.080  -0.459 -34.828
   48   HG12  ILE   9          1HG1      ILE   9   2.474   1.100 -35.192
   49   HG13  ILE   9          2HG1      ILE   9   3.918   1.246 -36.191
   50   HG21  ILE   9          1HG2      ILE   9   2.564  -0.503 -33.100
   51   HG22  ILE   9          2HG2      ILE   9   3.098  -1.807 -34.185
   52   HG23  ILE   9          3HG2      ILE   9   4.073  -1.403 -32.798
   53   HD11  ILE   9          3HD1      ILE   9   3.666  -1.153 -36.873
   54   HD12  ILE   9          1HD1      ILE   9   2.077  -1.152 -36.063
   55   HD13  ILE   9          2HD1      ILE   9   2.379  -0.058 -37.417
   56    H    PHE  10           H        PHE  10   3.874   0.670 -31.167
   57    HA   PHE  10           HA       PHE  10   6.597   0.191 -30.017
   58    HB2  PHE  10           1HB      PHE  10   4.075   1.285 -28.721
   59    HB3  PHE  10           2HB      PHE  10   5.587   0.959 -27.895
   60    HD1  PHE  10           1HD      PHE  10   3.917   3.167 -30.370
   61    HD2  PHE  10           2HD      PHE  10   7.513   2.436 -28.106
   62    HE1  PHE  10           1HE      PHE  10   4.742   5.438 -30.950
   63    HE2  PHE  10           2HE      PHE  10   8.334   4.707 -28.680
   64    HZ   PHE  10           HZ       PHE  10   6.946   6.217 -30.087
   65    H    THR  11           H        THR  11   6.982  -1.718 -28.921
   66    HA   THR  11           HA       THR  11   4.729  -3.658 -28.636
   67    HB   THR  11           HB       THR  11   7.463  -4.252 -29.815
   68    HG1  THR  11           1HG      THR  11   6.369  -4.411 -31.759
   69   HG21  THR  11          3HG2      THR  11   6.390  -6.374 -30.524
   70   HG22  THR  11          1HG2      THR  11   4.913  -5.914 -29.648
   71   HG23  THR  11          2HG2      THR  11   6.427  -6.219 -28.763
   72    H    CYS  12           H        CYS  12   4.733  -4.906 -26.876
   73    HA   CYS  12           HA       CYS  12   6.601  -4.453 -24.693
   74    HB2  CYS  12           1HB      CYS  12   4.228  -4.741 -24.331
   75    HB3  CYS  12           2HB      CYS  12   4.262  -6.344 -25.102
   76    H    GLU  13           H        GLU  13   8.381  -5.554 -24.219
   77    HA   GLU  13           HA       GLU  13   9.247  -7.809 -25.891
   78    HB2  GLU  13           1HB      GLU  13  11.378  -7.579 -24.831
   79    HB3  GLU  13           2HB      GLU  13  10.794  -5.994 -25.327
   80    HG2  GLU  13           1HG      GLU  13  10.088  -5.534 -22.970
   81    HG3  GLU  13           2HG      GLU  13  10.718  -7.114 -22.488
   82    H    TYR  14           H        TYR  14   7.368  -7.636 -23.107
   83    HA   TYR  14           HA       TYR  14   8.401 -10.185 -21.948
   84    HB2  TYR  14           1HB      TYR  14   6.498  -8.120 -20.836
   85    HB3  TYR  14           2HB      TYR  14   7.064  -9.549 -19.992
   86    HD1  TYR  14           2HD      TYR  14   9.479  -9.750 -19.321
   87    HD2  TYR  14           1HD      TYR  14   7.830  -6.114 -20.959
   88    HE1  TYR  14           2HE      TYR  14  11.405  -8.465 -18.403
   89    HE2  TYR  14           1HE      TYR  14   9.765  -4.831 -20.038
   90    HH   TYR  14           HH       TYR  14  12.390  -6.408 -18.182
   91    H    CYS  15           H        CYS  15   5.453  -8.825 -23.410
   92    HA   CYS  15           HA       CYS  15   4.330 -11.574 -23.511
   93    HB2  CYS  15           1HB      CYS  15   2.156 -10.872 -22.873
   94    HB3  CYS  15           2HB      CYS  15   3.316 -10.473 -21.608
   95    H    ASN  16           H        ASN  16   5.476  -9.333 -25.458
   96    HA   ASN  16           HA       ASN  16   5.323  -8.806 -27.614
   97    HB2  ASN  16           1HB      ASN  16   5.546 -11.337 -27.600
   98    HB3  ASN  16           2HB      ASN  16   3.827 -11.407 -27.991
   99   HD21  ASN  16          1HD2      ASN  16   4.337 -12.460 -30.008
  100   HD22  ASN  16          2HD2      ASN  16   5.047 -11.547 -31.332
  101    H    LYS  17           H        LYS  17   2.949  -7.953 -25.932
  102    HA   LYS  17           HA       LYS  17   0.776  -7.499 -27.822
  103    HB2  LYS  17           1HB      LYS  17   1.549  -6.277 -25.154
  104    HB3  LYS  17           2HB      LYS  17   0.156  -5.703 -26.097
  105    HG2  LYS  17           1HG      LYS  17  -0.882  -7.922 -26.001
  106    HG3  LYS  17           2HG      LYS  17   0.542  -8.559 -25.157
  107    HD2  LYS  17           1HD      LYS  17   0.132  -6.785 -23.359
  108    HD3  LYS  17           2HD      LYS  17  -1.374  -6.384 -24.176
  109    HE2  LYS  17           1HE      LYS  17  -1.714  -7.823 -22.242
  110    HE3  LYS  17           2HE      LYS  17  -2.273  -8.601 -23.729
  111    HZ1  LYS  17           3HZ      LYS  17  -0.895 -10.047 -22.183
  112    HZ2  LYS  17           1HZ      LYS  17   0.426  -9.143 -22.595
  113    HZ3  LYS  17           2HZ      LYS  17  -0.359 -10.001 -23.726
  114    H    VAL  18           H        VAL  18   0.187  -5.586 -28.766
  115    HA   VAL  18           HA       VAL  18   2.435  -3.754 -29.525
  116    HB   VAL  18           HB       VAL  18   0.182  -4.782 -31.284
  117   HG11  VAL  18          1HG1      VAL  18   2.546  -2.967 -31.884
  118   HG12  VAL  18          2HG1      VAL  18   1.469  -3.669 -33.112
  119   HG13  VAL  18          3HG1      VAL  18   0.826  -2.507 -31.954
  120   HG21  VAL  18          3HG2      VAL  18   1.900  -6.521 -30.896
  121   HG22  VAL  18          1HG2      VAL  18   2.005  -5.902 -32.542
  122   HG23  VAL  18          2HG2      VAL  18   3.179  -5.362 -31.323
  123    H    PHE  19           H        PHE  19   2.111  -1.632 -29.552
  124    HA   PHE  19           HA       PHE  19  -0.520  -0.483 -28.753
  125    HB2  PHE  19           1HB      PHE  19   2.191   0.100 -27.495
  126    HB3  PHE  19           2HB      PHE  19   0.668   0.872 -27.087
  127    HD1  PHE  19           2HD      PHE  19  -1.144  -0.413 -25.910
  128    HD2  PHE  19           1HD      PHE  19   2.756  -2.098 -26.628
  129    HE1  PHE  19           2HE      PHE  19  -1.640  -2.246 -24.307
  130    HE2  PHE  19           1HE      PHE  19   2.259  -3.927 -25.026
  131    HZ   PHE  19           HZ       PHE  19   0.041  -4.031 -23.886
  132    H    LYS  20           H        LYS  20  -0.886   1.653 -29.329
  133    HA   LYS  20           HA       LYS  20   0.365   2.469 -31.815
  134    HB2  LYS  20           1HB      LYS  20  -2.080   2.569 -31.270
  135    HB3  LYS  20           2HB      LYS  20  -1.753   3.892 -30.146
  136    HG2  LYS  20           1HG      LYS  20  -0.952   5.305 -31.983
  137    HG3  LYS  20           2HG      LYS  20  -1.070   3.950 -33.123
  138    HD2  LYS  20           1HD      LYS  20  -3.516   3.877 -32.814
  139    HD3  LYS  20           2HD      LYS  20  -3.420   5.197 -31.629
  140    HE2  LYS  20           1HE      LYS  20  -2.458   6.687 -33.366
  141    HE3  LYS  20           2HE      LYS  20  -2.533   5.373 -34.545
  142    HZ1  LYS  20           3HZ      LYS  20  -4.896   6.579 -33.200
  143    HZ2  LYS  20           1HZ      LYS  20  -4.958   5.367 -34.294
  144    HZ3  LYS  20           2HZ      LYS  20  -4.451   6.849 -34.747
  145    H    PHE  21           H        PHE  21   0.739   3.547 -28.499
  146    HA   PHE  21           HA       PHE  21   2.619   5.698 -29.379
  147    HB2  PHE  21           1HB      PHE  21   0.586   5.916 -27.138
  148    HB3  PHE  21           2HB      PHE  21   1.705   7.157 -27.668
  149    HD1  PHE  21           2HD      PHE  21   1.481   8.006 -30.139
  150    HD2  PHE  21           1HD      PHE  21  -1.605   5.855 -28.026
  151    HE1  PHE  21           2HE      PHE  21  -0.230   8.943 -31.678
  152    HE2  PHE  21           1HE      PHE  21  -3.314   6.809 -29.555
  153    HZ   PHE  21           HZ       PHE  21  -2.630   8.358 -31.381
  154    H    LYS  22           H        LYS  22   4.190   6.364 -27.887
  155    HA   LYS  22           HA       LYS  22   5.529   4.352 -26.411
  156    HB2  LYS  22           1HB      LYS  22   6.444   6.523 -27.412
  157    HB3  LYS  22           2HB      LYS  22   5.789   7.370 -26.011
  158    HG2  LYS  22           1HG      LYS  22   7.210   5.973 -24.514
  159    HG3  LYS  22           2HG      LYS  22   7.816   5.084 -25.926
  160    HD2  LYS  22           1HD      LYS  22   8.728   7.225 -26.851
  161    HD3  LYS  22           2HD      LYS  22   8.171   8.070 -25.389
  162    HE2  LYS  22           1HE      LYS  22   9.596   6.560 -24.003
  163    HE3  LYS  22           2HE      LYS  22  10.158   5.754 -25.477
  164    HZ1  LYS  22           3HZ      LYS  22  11.111   7.884 -26.193
  165    HZ2  LYS  22           1HZ      LYS  22  11.728   7.460 -24.744
  166    HZ3  LYS  22           2HZ      LYS  22  10.591   8.627 -24.833
  167    H    HIS  23           H        HIS  23   3.340   6.929 -25.245
  168    HA   HIS  23           HA       HIS  23   3.636   6.313 -22.466
  169    HB2  HIS  23           1HB      HIS  23   1.673   7.715 -22.135
  170    HB3  HIS  23           2HB      HIS  23   2.862   8.467 -23.184
  171    HD1  HIS  23           1HD      HIS  23   1.947   9.335 -25.492
  172    HD2  HIS  23           2HD      HIS  23  -0.635   6.746 -23.406
  173    HE1  HIS  23           1HE      HIS  23  -0.266   9.360 -26.754
  174    H    SER  24           H        SER  24   1.451   4.939 -24.935
  175    HA   SER  24           HA       SER  24  -0.218   3.450 -23.138
  176    HB2  SER  24           1HB      SER  24   0.571   2.779 -25.993
  177    HB3  SER  24           2HB      SER  24  -0.823   2.139 -25.110
  178    HG   SER  24           HG       SER  24  -1.696   4.235 -25.072
  179    H    LEU  25           H        LEU  25   2.790   2.515 -24.918
  180    HA   LEU  25           HA       LEU  25   2.971  -0.076 -23.693
  181    HB2  LEU  25           1HB      LEU  25   4.122   0.421 -25.767
  182    HB3  LEU  25           2HB      LEU  25   5.069   1.696 -24.993
  183    HG   LEU  25           HG       LEU  25   6.220   0.033 -23.581
  184   HD11  LEU  25          1HD1      LEU  25   4.668  -2.075 -25.149
  185   HD12  LEU  25          2HD1      LEU  25   4.470  -1.723 -23.418
  186   HD13  LEU  25          3HD1      LEU  25   5.997  -2.375 -24.005
  187   HD21  LEU  25          3HD2      LEU  25   6.273  -0.771 -26.504
  188   HD22  LEU  25          1HD2      LEU  25   7.551  -1.035 -25.305
  189   HD23  LEU  25          2HD2      LEU  25   7.144   0.618 -25.802
  190    H    GLN  26           H        GLN  26   4.434   3.093 -22.728
  191    HA   GLN  26           HA       GLN  26   5.879   2.086 -20.486
  192    HB2  GLN  26           1HB      GLN  26   4.701   4.795 -21.171
  193    HB3  GLN  26           2HB      GLN  26   5.527   4.537 -19.648
  194    HG2  GLN  26           1HG      GLN  26   6.770   3.987 -22.388
  195    HG3  GLN  26           2HG      GLN  26   6.991   5.475 -21.478
  196   HE21  GLN  26          1HE2      GLN  26   9.211   3.933 -22.279
  197   HE22  GLN  26          2HE2      GLN  26   9.932   3.252 -20.829
  198    H    ALA  27           H        ALA  27   2.463   3.201 -20.637
  199    HA   ALA  27           HA       ALA  27   1.989   2.743 -17.826
  200    HB1  ALA  27           1HB      ALA  27   0.073   2.935 -20.177
  201    HB2  ALA  27           2HB      ALA  27  -0.356   3.057 -18.453
  202    HB3  ALA  27           3HB      ALA  27   0.685   4.293 -19.200
  203    H    HIS  28           H        HIS  28   1.688   0.636 -20.713
  204    HA   HIS  28           HA       HIS  28   0.508  -1.600 -19.334
  205    HB2  HIS  28           1HB      HIS  28   0.399  -1.472 -21.731
  206    HB3  HIS  28           2HB      HIS  28   2.152  -1.349 -21.876
  207    HD1  HIS  28           1HD      HIS  28  -0.395  -3.978 -20.584
  208    HD2  HIS  28           2HD      HIS  28   3.482  -3.561 -22.153
  209    HE1  HIS  28           1HE      HIS  28   0.510  -6.333 -20.821
  210    H    LEU  29           H        LEU  29   3.937  -0.710 -19.933
  211    HA   LEU  29           HA       LEU  29   5.146  -3.039 -18.912
  212    HB2  LEU  29           1HB      LEU  29   6.030  -0.153 -19.174
  213    HB3  LEU  29           2HB      LEU  29   7.108  -1.346 -18.475
  214    HG   LEU  29           HG       LEU  29   5.883  -1.711 -21.239
  215   HD11  LEU  29          1HD1      LEU  29   8.066  -0.946 -22.112
  216   HD12  LEU  29          2HD1      LEU  29   8.595  -0.549 -20.462
  217   HD13  LEU  29          3HD1      LEU  29   7.253   0.341 -21.211
  218   HD21  LEU  29          3HD2      LEU  29   7.783  -3.265 -21.541
  219   HD22  LEU  29          1HD2      LEU  29   6.744  -3.785 -20.215
  220   HD23  LEU  29          2HD2      LEU  29   8.284  -2.978 -19.859
  221    H    ARG  30           H        ARG  30   3.497  -0.666 -17.039
  222    HA   ARG  30           HA       ARG  30   4.776  -0.890 -14.506
  223    HB2  ARG  30           1HB      ARG  30   1.826  -0.557 -15.203
  224    HB3  ARG  30           2HB      ARG  30   2.520  -0.305 -13.596
  225    HG2  ARG  30           1HG      ARG  30   3.943   1.515 -14.430
  226    HG3  ARG  30           2HG      ARG  30   3.339   1.270 -16.078
  227    HD2  ARG  30           1HD      ARG  30   1.039   1.780 -15.308
  228    HD3  ARG  30           2HD      ARG  30   1.666   2.110 -13.681
  229    HE   ARG  30           HE       ARG  30   3.197   3.752 -15.255
  230   HH11  ARG  30          2HH2      ARG  30  -0.278   3.455 -14.922
  231   HH12  ARG  30          1HH2      ARG  30  -0.556   5.110 -15.389
  232   HH21  ARG  30          2HH1      ARG  30   2.772   5.855 -15.835
  233   HH22  ARG  30          1HH1      ARG  30   1.132   6.427 -15.887
  234    H    ILE  31           H        ILE  31   2.848  -3.347 -16.163
  235    HA   ILE  31           HA       ILE  31   2.545  -4.940 -13.723
  236    HB   ILE  31           HB       ILE  31   1.412  -6.498 -14.951
  237   HG12  ILE  31          1HG1      ILE  31   2.385  -5.264 -17.543
  238   HG13  ILE  31          2HG1      ILE  31   2.809  -6.838 -16.878
  239   HG21  ILE  31          1HG2      ILE  31  -0.464  -5.244 -15.764
  240   HG22  ILE  31          2HG2      ILE  31   0.281  -4.288 -14.486
  241   HG23  ILE  31          3HG2      ILE  31   0.557  -3.856 -16.188
  242   HD11  ILE  31          3HD1      ILE  31   0.408  -7.522 -17.028
  243   HD12  ILE  31          1HD1      ILE  31   0.089  -6.011 -17.920
  244   HD13  ILE  31          2HD1      ILE  31   1.204  -7.219 -18.586
  245    H    HIS  32           H        HIS  32   4.924  -4.716 -16.228
  246    HA   HIS  32           HA       HIS  32   6.115  -7.367 -15.584
  247    HB2  HIS  32           1HB      HIS  32   6.789  -5.361 -17.762
  248    HB3  HIS  32           2HB      HIS  32   7.458  -6.978 -17.593
  249    HD1  HIS  32           1HD      HIS  32   5.266  -8.970 -17.633
  250    HD2  HIS  32           2HD      HIS  32   5.026  -5.275 -19.610
  251    HE1  HIS  32           1HE      HIS  32   3.591  -9.300 -19.516
  252    H    THR  33           H        THR  33   6.788  -3.951 -15.181
  253    HA   THR  33           HA       THR  33   9.631  -4.234 -14.608
  254    HB   THR  33           HB       THR  33   9.446  -1.786 -14.035
  255    HG1  THR  33           1HG      THR  33   6.878  -1.958 -15.153
  256   HG21  THR  33          3HG2      THR  33  10.088  -2.459 -16.266
  257   HG22  THR  33          1HG2      THR  33   9.010  -1.057 -16.348
  258   HG23  THR  33          2HG2      THR  33   8.398  -2.678 -16.747
  259    H    ASN  34           H        ASN  34  10.132  -2.602 -12.512
  260    HA   ASN  34           HA       ASN  34  10.661  -2.620 -10.366
  261    HB2  ASN  34           1HB      ASN  34   8.235  -2.351  -9.924
  262    HB3  ASN  34           2HB      ASN  34   8.082  -4.101  -9.757
  263   HD21  ASN  34          1HD2      ASN  34   9.410  -1.173  -8.256
  264   HD22  ASN  34          2HD2      ASN  34   9.751  -1.954  -6.721
  265    H    GLU  35           H        GLU  35  11.762  -3.798  -8.775
  266    HA   GLU  35           HA       GLU  35  13.094  -6.102  -9.912
  267    HB2  GLU  35           1HB      GLU  35  13.447  -4.649  -7.262
  268    HB3  GLU  35           2HB      GLU  35  14.525  -5.905  -7.884
  269    HG2  GLU  35           1HG      GLU  35  14.985  -4.510  -9.898
  270    HG3  GLU  35           2HG      GLU  35  13.984  -3.221  -9.224
  271    H    LYS  36           H        LYS  36  10.445  -5.880  -7.657
  272    HA   LYS  36           HA       LYS  36  10.867  -8.318  -6.188
  273    HB2  LYS  36           1HB      LYS  36   8.378  -6.723  -6.889
  274    HB3  LYS  36           2HB      LYS  36   8.344  -8.159  -5.869
  275    HG2  LYS  36           1HG      LYS  36   9.888  -7.125  -4.261
  276    HG3  LYS  36           2HG      LYS  36  10.015  -5.679  -5.277
  277    HD2  LYS  36           1HD      LYS  36   7.562  -5.298  -5.017
  278    HD3  LYS  36           2HD      LYS  36   7.478  -6.711  -3.940
  279    HE2  LYS  36           1HE      LYS  36   9.089  -5.635  -2.393
  280    HE3  LYS  36           2HE      LYS  36   9.191  -4.232  -3.466
  281    HZ1  LYS  36           3HZ      LYS  36   7.623  -3.846  -1.653
  282    HZ2  LYS  36           1HZ      LYS  36   6.717  -5.135  -2.084
  283    HZ3  LYS  36           2HZ      LYS  36   6.819  -3.837  -3.072
  284    HA   PRO  37           HA       PRO  37  10.391 -10.826  -9.815
  285    HB2  PRO  37           1HB      PRO  37  10.716 -13.362  -8.772
  286    HB3  PRO  37           2HB      PRO  37  12.027 -12.160  -8.911
  287    HG2  PRO  37           1HG      PRO  37  10.330 -12.748  -6.473
  288    HG3  PRO  37           2HG      PRO  37  12.118 -12.660  -6.577
  289    HD2  PRO  37           1HD      PRO  37  10.665 -10.526  -5.757
  290    HD3  PRO  37           2HD      PRO  37  12.075 -10.307  -6.826
  291    H    TYR  38           H        TYR  38   8.294 -11.731  -7.068
  292    HA   TYR  38           HA       TYR  38   6.669 -13.476  -8.761
  293    HB2  TYR  38           1HB      TYR  38   6.363 -12.683  -5.849
  294    HB3  TYR  38           2HB      TYR  38   5.364 -13.853  -6.687
  295    HD1  TYR  38           1HD      TYR  38   6.532 -15.836  -7.877
  296    HD2  TYR  38           2HD      TYR  38   8.390 -13.410  -4.849
  297    HE1  TYR  38           1HE      TYR  38   8.175 -17.664  -7.415
  298    HE2  TYR  38           2HE      TYR  38  10.039 -15.221  -4.385
  299    HH   TYR  38           HH       TYR  38  10.750 -17.333  -4.944
  300    H    LYS  39           H        LYS  39   5.991 -12.022 -10.333
  301    HA   LYS  39           HA       LYS  39   4.236  -9.748  -9.768
  302    HB2  LYS  39           1HB      LYS  39   5.114 -11.198 -12.284
  303    HB3  LYS  39           2HB      LYS  39   3.731 -10.115 -12.320
  304    HG2  LYS  39           1HG      LYS  39   5.551  -8.856 -13.041
  305    HG3  LYS  39           2HG      LYS  39   5.109  -8.259 -11.446
  306    HD2  LYS  39           1HD      LYS  39   7.063  -9.466 -10.477
  307    HD3  LYS  39           2HD      LYS  39   7.455 -10.106 -12.096
  308    HE2  LYS  39           1HE      LYS  39   7.583  -7.722 -12.927
  309    HE3  LYS  39           2HE      LYS  39   7.342  -7.173 -11.264
  310    HZ1  LYS  39           3HZ      LYS  39   9.658  -7.170 -11.743
  311    HZ2  LYS  39           1HZ      LYS  39   9.655  -8.738 -12.251
  312    HZ3  LYS  39           2HZ      LYS  39   9.371  -8.354 -10.668
  313    H    CYS  40           H        CYS  40   2.096  -9.559  -9.854
  314    HA   CYS  40           HA       CYS  40   0.363 -11.861  -9.637
  315    HB2  CYS  40           1HB      CYS  40   0.024  -9.839  -8.375
  316    HB3  CYS  40           2HB      CYS  40  -0.119  -8.880  -9.865
  317    HA   PRO  41           HA       PRO  41  -0.474 -12.015 -14.107
  318    HB2  PRO  41           1HB      PRO  41  -2.343 -13.986 -14.159
  319    HB3  PRO  41           2HB      PRO  41  -0.625 -14.309 -13.780
  320    HG2  PRO  41           1HG      PRO  41  -2.922 -13.946 -11.834
  321    HG3  PRO  41           2HG      PRO  41  -1.676 -15.232 -11.849
  322    HD2  PRO  41           1HD      PRO  41  -1.504 -12.958 -10.289
  323    HD3  PRO  41           2HD      PRO  41  -0.064 -13.805 -10.928
  324    H    GLN  42           H        GLN  42  -2.577 -10.870 -11.631
  325    HA   GLN  42           HA       GLN  42  -4.727 -10.147 -13.585
  326    HB2  GLN  42           1HB      GLN  42  -4.815 -10.470 -10.574
  327    HB3  GLN  42           2HB      GLN  42  -6.166  -9.930 -11.560
  328    HG2  GLN  42           1HG      GLN  42  -4.800 -12.649 -11.786
  329    HG3  GLN  42           2HG      GLN  42  -6.286 -12.330 -10.917
  330   HE21  GLN  42          1HE2      GLN  42  -6.313 -14.288 -12.866
  331   HE22  GLN  42          2HE2      GLN  42  -7.244 -13.704 -14.239
  332    H    CYS  43           H        CYS  43  -2.416  -8.629 -11.264
  333    HA   CYS  43           HA       CYS  43  -3.250  -6.027 -12.403
  334    HB2  CYS  43           1HB      CYS  43  -3.478  -4.997 -10.244
  335    HB3  CYS  43           2HB      CYS  43  -4.592  -6.348 -10.376
  336    H    SER  44           H        SER  44  -1.688  -4.286 -11.168
  337    HA   SER  44           HA       SER  44   0.941  -4.858 -12.253
  338    HB2  SER  44           1HB      SER  44   1.435  -2.522 -11.556
  339    HB3  SER  44           2HB      SER  44  -0.015  -2.673 -12.560
  340    HG   SER  44           HG       SER  44  -0.354  -1.318 -10.720
  341    H    TYR  45           H        TYR  45  -0.292  -5.853  -9.378
  342    HA   TYR  45           HA       TYR  45   1.665  -5.211  -7.442
  343    HB2  TYR  45           1HB      TYR  45  -0.605  -6.075  -7.033
  344    HB3  TYR  45           2HB      TYR  45  -0.169  -7.622  -7.746
  345    HD1  TYR  45           2HD      TYR  45   0.305  -5.266  -4.922
  346    HD2  TYR  45           1HD      TYR  45   1.167  -9.243  -6.363
  347    HE1  TYR  45           2HE      TYR  45   1.044  -5.936  -2.641
  348    HE2  TYR  45           1HE      TYR  45   1.893  -9.913  -4.076
  349    HH   TYR  45           HH       TYR  45   2.220  -9.214  -1.864
  350    H    ALA  46           H        ALA  46   3.437  -6.231  -6.691
  351    HA   ALA  46           HA       ALA  46   4.255  -8.840  -7.691
  352    HB1  ALA  46           1HB      ALA  46   6.130  -6.454  -7.975
  353    HB2  ALA  46           2HB      ALA  46   6.543  -8.157  -8.285
  354    HB3  ALA  46           3HB      ALA  46   5.355  -7.336  -9.311
  355    H    SER  47           H        SER  47   5.671  -9.959  -6.315
  356    HA   SER  47           HA       SER  47   6.260  -8.734  -3.647
  357    HB2  SER  47           1HB      SER  47   4.189 -10.120  -3.626
  358    HB3  SER  47           2HB      SER  47   5.166 -11.532  -4.085
  359    HG   SER  47           HG       SER  47   4.715 -10.738  -1.710
  360    H    ALA  48           H        ALA  48   7.790  -9.902  -2.355
  361    HA   ALA  48           HA       ALA  48  10.022 -11.138  -3.884
  362    HB1  ALA  48           1HB      ALA  48  10.539  -9.220  -2.425
  363    HB2  ALA  48           2HB      ALA  48   9.885 -10.108  -1.025
  364    HB3  ALA  48           3HB      ALA  48  11.334 -10.704  -1.866
  365    H    ILE  49           H        ILE  49   7.256 -12.208  -2.271
  366    HA   ILE  49           HA       ILE  49   8.517 -14.849  -1.651
  367    HB   ILE  49           HB       ILE  49   6.368 -13.549   0.048
  368   HG12  ILE  49          1HG1      ILE  49   9.366 -13.651   0.564
  369   HG13  ILE  49          2HG1      ILE  49   8.379 -12.206   0.309
  370   HG21  ILE  49          1HG2      ILE  49   6.834 -15.383   1.605
  371   HG22  ILE  49          2HG2      ILE  49   6.464 -16.061   0.037
  372   HG23  ILE  49          3HG2      ILE  49   8.154 -15.969   0.570
  373   HD11  ILE  49          3HD1      ILE  49   8.816 -12.352   2.637
  374   HD12  ILE  49          1HD1      ILE  49   7.100 -12.743   2.396
  375   HD13  ILE  49          2HD1      ILE  49   8.285 -14.037   2.720
  376    H    LYS  50           H        LYS  50   7.551 -16.534  -2.576
  377    HA   LYS  50           HA       LYS  50   5.328 -16.239  -4.361
  378    HB2  LYS  50           1HB      LYS  50   7.269 -17.914  -4.441
  379    HB3  LYS  50           2HB      LYS  50   6.393 -18.865  -3.240
  380    HG2  LYS  50           1HG      LYS  50   4.459 -19.030  -4.811
  381    HG3  LYS  50           2HG      LYS  50   5.335 -18.033  -5.987
  382    HD2  LYS  50           1HD      LYS  50   7.121 -19.759  -6.112
  383    HD3  LYS  50           2HD      LYS  50   6.233 -20.757  -4.940
  384    HE2  LYS  50           1HE      LYS  50   4.293 -20.848  -6.499
  385    HE3  LYS  50           2HE      LYS  50   5.183 -19.861  -7.666
  386    HZ1  LYS  50           3HZ      LYS  50   6.840 -21.648  -7.811
  387    HZ2  LYS  50           1HZ      LYS  50   5.363 -22.227  -8.188
  388    HZ3  LYS  50           2HZ      LYS  50   6.016 -22.560  -6.733
  389    H    ALA  51           H        ALA  51   5.496 -17.563  -1.061
  390    HA   ALA  51           HA       ALA  51   2.769 -18.376  -0.844
  391    HB1  ALA  51           1HB      ALA  51   4.575 -19.105   0.675
  392    HB2  ALA  51           2HB      ALA  51   4.720 -17.449   1.313
  393    HB3  ALA  51           3HB      ALA  51   3.230 -18.378   1.573
  394    H    ASN  52           H        ASN  52   4.257 -15.149  -0.451
  395    HA   ASN  52           HA       ASN  52   1.846 -13.902   0.608
  396    HB2  ASN  52           1HB      ASN  52   4.025 -12.895   1.015
  397    HB3  ASN  52           2HB      ASN  52   4.336 -12.773  -0.722
  398   HD21  ASN  52          1HD2      ASN  52   2.270 -11.483   1.907
  399   HD22  ASN  52          2HD2      ASN  52   1.855 -10.031   1.009
  400    H    LEU  53           H        LEU  53   3.232 -14.245  -2.731
  401    HA   LEU  53           HA       LEU  53   1.070 -12.938  -4.032
  402    HB2  LEU  53           1HB      LEU  53   3.172 -13.394  -5.155
  403    HB3  LEU  53           2HB      LEU  53   2.925 -15.134  -5.003
  404    HG   LEU  53           HG       LEU  53   0.974 -15.032  -6.507
  405   HD11  LEU  53          1HD1      LEU  53   0.158 -12.740  -6.069
  406   HD12  LEU  53          2HD1      LEU  53   0.475 -12.981  -7.779
  407   HD13  LEU  53          3HD1      LEU  53   1.639 -12.065  -6.791
  408   HD21  LEU  53          3HD2      LEU  53   3.278 -15.333  -7.417
  409   HD22  LEU  53          1HD2      LEU  53   3.342 -13.577  -7.716
  410   HD23  LEU  53          2HD2      LEU  53   2.152 -14.580  -8.563
  411    H    ASN  54           H        ASN  54   1.400 -16.352  -2.990
  412    HA   ASN  54           HA       ASN  54  -0.997 -17.356  -4.092
  413    HB2  ASN  54           1HB      ASN  54   0.979 -18.553  -2.951
  414    HB3  ASN  54           2HB      ASN  54   0.207 -18.162  -1.415
  415   HD21  ASN  54          1HD2      ASN  54   0.258 -20.538  -1.142
  416   HD22  ASN  54          2HD2      ASN  54  -1.002 -21.490  -1.905
  417    H    VAL  55           H        VAL  55  -0.570 -15.422  -1.133
  418    HA   VAL  55           HA       VAL  55  -3.437 -15.569  -0.420
  419    HB   VAL  55           HB       VAL  55  -1.152 -13.978   0.770
  420   HG11  VAL  55          1HG1      VAL  55  -4.010 -14.342   1.770
  421   HG12  VAL  55          2HG1      VAL  55  -2.677 -13.650   2.718
  422   HG13  VAL  55          3HG1      VAL  55  -3.249 -12.811   1.278
  423   HG21  VAL  55          3HG2      VAL  55  -1.329 -15.604   2.621
  424   HG22  VAL  55          1HG2      VAL  55  -2.606 -16.476   1.743
  425   HG23  VAL  55          2HG2      VAL  55  -0.950 -16.424   1.106
  426    H    HIS  56           H        HIS  56  -1.280 -13.270  -2.087
  427    HA   HIS  56           HA       HIS  56  -3.231 -11.167  -2.352
  428    HB2  HIS  56           1HB      HIS  56  -0.849 -10.798  -2.737
  429    HB3  HIS  56           2HB      HIS  56  -0.858 -11.945  -4.078
  430    HD1  HIS  56           1HD      HIS  56  -2.166  -8.423  -3.245
  431    HD2  HIS  56           2HD      HIS  56  -1.754 -11.139  -6.426
  432    HE1  HIS  56           1HE      HIS  56  -2.897  -7.168  -5.320
  433    H    LEU  57           H        LEU  57  -2.595 -14.033  -4.429
  434    HA   LEU  57           HA       LEU  57  -4.541 -13.460  -6.449
  435    HB2  LEU  57           1HB      LEU  57  -3.418 -16.007  -5.298
  436    HB3  LEU  57           2HB      LEU  57  -4.501 -16.018  -6.685
  437    HG   LEU  57           HG       LEU  57  -1.863 -14.482  -6.679
  438   HD11  LEU  57          1HD1      LEU  57  -0.950 -16.395  -7.915
  439   HD12  LEU  57          2HD1      LEU  57  -2.486 -17.276  -7.706
  440   HD13  LEU  57          3HD1      LEU  57  -1.482 -16.879  -6.294
  441   HD21  LEU  57          3HD2      LEU  57  -3.769 -15.368  -8.884
  442   HD22  LEU  57          1HD2      LEU  57  -2.138 -14.726  -9.145
  443   HD23  LEU  57          2HD2      LEU  57  -3.371 -13.695  -8.408
  444    H    ARG  58           H        ARG  58  -4.937 -14.877  -3.232
  445    HA   ARG  58           HA       ARG  58  -7.728 -15.584  -3.517
  446    HB2  ARG  58           1HB      ARG  58  -6.015 -15.049  -1.071
  447    HB3  ARG  58           2HB      ARG  58  -7.711 -15.509  -0.971
  448    HG2  ARG  58           1HG      ARG  58  -7.349 -17.608  -2.024
  449    HG3  ARG  58           2HG      ARG  58  -5.714 -17.175  -2.540
  450    HD2  ARG  58           1HD      ARG  58  -4.884 -17.216  -0.261
  451    HD3  ARG  58           2HD      ARG  58  -6.522 -17.328   0.386
  452    HE   ARG  58           HE       ARG  58  -6.462 -19.597   0.130
  453   HH11  ARG  58          2HH1      ARG  58  -4.025 -18.361  -2.089
  454   HH12  ARG  58          1HH1      ARG  58  -3.523 -19.946  -2.569
  455   HH21  ARG  58          2HH2      ARG  58  -5.770 -21.602  -0.529
  456   HH22  ARG  58          1HH2      ARG  58  -4.508 -21.738  -1.718
  457    H    LYS  59           H        LYS  59  -6.362 -12.457  -3.455
  458    HA   LYS  59           HA       LYS  59  -8.870 -11.124  -2.603
  459    HB2  LYS  59           1HB      LYS  59  -6.427  -9.900  -3.947
  460    HB3  LYS  59           2HB      LYS  59  -7.745  -9.056  -3.143
  461    HG2  LYS  59           1HG      LYS  59  -7.104 -10.116  -0.979
  462    HG3  LYS  59           2HG      LYS  59  -5.719 -10.888  -1.783
  463    HD2  LYS  59           1HD      LYS  59  -4.837  -8.671  -2.425
  464    HD3  LYS  59           2HD      LYS  59  -6.172  -7.877  -1.581
  465    HE2  LYS  59           1HE      LYS  59  -4.131  -9.742  -0.271
  466    HE3  LYS  59           2HE      LYS  59  -3.999  -7.981  -0.298
  467    HZ1  LYS  59           3HZ      LYS  59  -4.994  -8.719   1.768
  468    HZ2  LYS  59           1HZ      LYS  59  -6.204  -9.494   0.998
  469    HZ3  LYS  59           2HZ      LYS  59  -6.100  -7.862   0.933
  470    H    HIS  60           H        HIS  60  -7.575 -12.462  -5.505
  471    HA   HIS  60           HA       HIS  60  -9.343 -10.898  -7.289
  472    HB2  HIS  60           1HB      HIS  60  -7.076 -12.840  -7.859
  473    HB3  HIS  60           2HB      HIS  60  -8.038 -12.034  -9.090
  474    HD1  HIS  60           1HD      HIS  60  -8.039  -9.155  -8.686
  475    HD2  HIS  60           2HD      HIS  60  -4.819 -11.577  -7.462
  476    HE1  HIS  60           1HE      HIS  60  -6.037  -7.608  -8.556
  477    H    THR  61           H        THR  61 -10.228 -13.249  -5.389
  478    HA   THR  61           HA       THR  61 -11.312 -15.269  -7.167
  479    HB   THR  61           HB       THR  61 -12.640 -15.917  -5.131
  480    HG1  THR  61           1HG      THR  61 -12.084 -14.828  -3.213
  481   HG21  THR  61          3HG2      THR  61 -10.696 -16.627  -3.787
  482   HG22  THR  61          1HG2      THR  61  -9.652 -15.505  -4.690
  483   HG23  THR  61          2HG2      THR  61 -10.408 -16.880  -5.518
  484    H    GLY  62           H        GLY  62 -12.292 -12.075  -6.594
  485    HA2  GLY  62           1HA      GLY  62 -14.691 -12.404  -8.229
  486    HA3  GLY  62           2HA      GLY  62 -15.008 -11.842  -6.583
  487    H    GLU  63           H        GLU  63 -15.855 -10.034  -8.075
  488    HA   GLU  63           HA       GLU  63 -13.769  -7.917  -8.358
  489    HB2  GLU  63           1HB      GLU  63 -14.321  -8.858 -10.573
  490    HB3  GLU  63           2HB      GLU  63 -16.030  -8.480 -10.316
  491    HG2  GLU  63           1HG      GLU  63 -15.520  -6.078 -10.237
  492    HG3  GLU  63           2HG      GLU  63 -13.788  -6.413 -10.309
  493    H    LYS  64           H        LYS  64 -14.308  -5.946  -7.565
  494    HA   LYS  64           HA       LYS  64 -16.720  -5.808  -5.895
  495    HB2  LYS  64           1HB      LYS  64 -14.193  -4.144  -6.096
  496    HB3  LYS  64           2HB      LYS  64 -15.617  -3.547  -5.238
  497    HG2  LYS  64           1HG      LYS  64 -15.647  -5.587  -3.830
  498    HG3  LYS  64           2HG      LYS  64 -14.135  -6.131  -4.592
  499    HD2  LYS  64           1HD      LYS  64 -12.927  -4.219  -3.710
  500    HD3  LYS  64           2HD      LYS  64 -14.431  -3.433  -3.214
  501    HE2  LYS  64           1HE      LYS  64 -14.833  -5.513  -1.722
  502    HE3  LYS  64           2HE      LYS  64 -13.127  -5.895  -2.001
  503    HZ1  LYS  64           3HZ      LYS  64 -12.599  -3.671  -1.077
  504    HZ2  LYS  64           1HZ      LYS  64 -13.432  -4.562   0.014
  505    HZ3  LYS  64           2HZ      LYS  64 -14.197  -3.380  -0.821
  506    H    PHE  65           H        PHE  65 -18.223  -4.353  -5.841
  507    HA   PHE  65           HA       PHE  65 -18.577  -2.345  -8.025
  508    HB2  PHE  65           1HB      PHE  65 -20.724  -3.799  -6.421
  509    HB3  PHE  65           2HB      PHE  65 -20.985  -2.591  -7.670
  510    HD1  PHE  65           1HD      PHE  65 -19.872  -6.086  -7.050
  511    HD2  PHE  65           2HD      PHE  65 -20.938  -3.146 -10.019
  512    HE1  PHE  65           1HE      PHE  65 -20.016  -7.874  -8.768
  513    HE2  PHE  65           2HE      PHE  65 -21.097  -4.939 -11.731
  514    HZ   PHE  65           HZ       PHE  65 -20.655  -7.302 -11.106
  515    H    ALA  66           H        ALA  66 -19.103  -0.239  -7.288
  516    HA   ALA  66           HA       ALA  66 -18.693   0.216  -4.360
  517    HB1  ALA  66           1HB      ALA  66 -16.684   0.651  -5.743
  518    HB2  ALA  66           2HB      ALA  66 -17.612   1.824  -6.703
  519    HB3  ALA  66           3HB      ALA  66 -17.312   2.125  -4.977
  520    H    CYS  67           H        CYS  67 -19.750   1.785  -3.308
  521    HA   CYS  67           HA       CYS  67 -22.287   2.706  -4.277
  522    HB2  CYS  67           1HB      CYS  67 -21.711   2.069  -1.967
  523    HB3  CYS  67           2HB      CYS  67 -20.655   3.485  -1.836
  524    H    ASP  68           H        ASP  68 -23.004   4.673  -4.830
  525    HA   ASP  68           HA       ASP  68 -21.055   6.630  -5.915
  526    HB2  ASP  68           1HB      ASP  68 -22.981   5.732  -7.270
  527    HB3  ASP  68           2HB      ASP  68 -24.081   6.553  -6.164
  528    H    TYR  69           H        TYR  69 -22.738   6.144  -3.037
  529    HA   TYR  69           HA       TYR  69 -23.039   9.061  -2.423
  530    HB2  TYR  69           1HB      TYR  69 -24.539   6.674  -1.347
  531    HB3  TYR  69           2HB      TYR  69 -24.860   8.357  -0.957
  532    HD1  TYR  69           1HD      TYR  69 -25.798   9.889  -2.726
  533    HD2  TYR  69           2HD      TYR  69 -25.390   5.637  -3.328
  534    HE1  TYR  69           1HE      TYR  69 -27.415  10.002  -4.612
  535    HE2  TYR  69           2HE      TYR  69 -27.007   5.754  -5.224
  536    HH   TYR  69           HH       TYR  69 -28.547   8.829  -6.230
  537    H    CYS  70           H        CYS  70 -21.435   6.140  -1.364
  538    HA   CYS  70           HA       CYS  70 -20.028   7.641   0.705
  539    HB2  CYS  70           1HB      CYS  70 -20.452   6.195   2.534
  540    HB3  CYS  70           2HB      CYS  70 -21.996   6.734   1.903
  541    H    SER  71           H        SER  71 -18.587   5.654   1.881
  542    HA   SER  71           HA       SER  71 -16.711   4.875  -0.224
  543    HB2  SER  71           1HB      SER  71 -16.556   4.465   2.781
  544    HB3  SER  71           2HB      SER  71 -15.229   4.278   1.619
  545    HG   SER  71           HG       SER  71 -15.196   6.331   2.653
  546    H    PHE  72           H        PHE  72 -19.428   3.265   0.809
  547    HA   PHE  72           HA       PHE  72 -18.520   0.664   1.466
  548    HB2  PHE  72           1HB      PHE  72 -20.764   1.458   1.921
  549    HB3  PHE  72           2HB      PHE  72 -21.090   1.638   0.206
  550    HD1  PHE  72           1HD      PHE  72 -20.692  -0.815   2.958
  551    HD2  PHE  72           2HD      PHE  72 -21.692  -0.247  -1.197
  552    HE1  PHE  72           1HE      PHE  72 -21.659  -3.102   2.874
  553    HE2  PHE  72           2HE      PHE  72 -22.659  -2.533  -1.278
  554    HZ   PHE  72           HZ       PHE  72 -22.647  -3.961   0.761
  555    H    THR  73           H        THR  73 -18.206  -1.213   0.389
  556    HA   THR  73           HA       THR  73 -18.636  -1.397  -2.514
  557    HB   THR  73           HB       THR  73 -16.527  -2.632  -2.869
  558    HG1  THR  73           1HG      THR  73 -15.825  -1.568  -0.336
  559   HG21  THR  73          3HG2      THR  73 -14.989  -0.748  -2.982
  560   HG22  THR  73          1HG2      THR  73 -16.017   0.207  -1.890
  561   HG23  THR  73          2HG2      THR  73 -16.607  -0.255  -3.501
  562    H    CYS  74           H        CYS  74 -19.015  -3.499  -3.282
  563    HA   CYS  74           HA       CYS  74 -18.874  -5.764  -1.405
  564    HB2  CYS  74           1HB      CYS  74 -21.176  -4.621  -1.187
  565    HB3  CYS  74           2HB      CYS  74 -21.507  -5.208  -2.829
  566    HG   CYS  74           HG       CYS  74 -20.668  -6.861  -0.057
  567    H    LEU  75           H        LEU  75 -19.340  -7.860  -2.530
  568    HA   LEU  75           HA       LEU  75 -18.020  -7.872  -5.168
  569    HB2  LEU  75           1HB      LEU  75 -18.722 -10.098  -3.225
  570    HB3  LEU  75           2HB      LEU  75 -17.869 -10.340  -4.746
  571    HG   LEU  75           HG       LEU  75 -16.823  -8.641  -2.441
  572   HD11  LEU  75          1HD1      LEU  75 -16.006 -11.413  -3.408
  573   HD12  LEU  75          2HD1      LEU  75 -16.888 -11.048  -1.907
  574   HD13  LEU  75          3HD1      LEU  75 -15.226 -10.477  -2.112
  575   HD21  LEU  75          3HD2      LEU  75 -14.679  -8.714  -3.684
  576   HD22  LEU  75          1HD2      LEU  75 -15.927  -7.882  -4.614
  577   HD23  LEU  75          2HD2      LEU  75 -15.485  -9.549  -5.031
  578    H    SER  76           H        SER  76 -21.176  -7.458  -4.466
  579    HA   SER  76           HA       SER  76 -21.846  -8.468  -7.147
  580    HB2  SER  76           1HB      SER  76 -23.827  -9.573  -6.610
  581    HB3  SER  76           2HB      SER  76 -22.630 -10.199  -5.468
  582    HG   SER  76           HG       SER  76 -24.495  -9.735  -4.352
  583    H    LYS  77           H        LYS  77 -23.340  -7.331  -8.275
  584    HA   LYS  77           HA       LYS  77 -23.856  -4.596  -7.530
  585    HB2  LYS  77           1HB      LYS  77 -23.528  -5.410  -9.855
  586    HB3  LYS  77           2HB      LYS  77 -25.027  -6.325  -9.754
  587    HG2  LYS  77           1HG      LYS  77 -25.319  -4.290 -11.029
  588    HG3  LYS  77           2HG      LYS  77 -26.326  -4.245  -9.582
  589    HD2  LYS  77           1HD      LYS  77 -24.705  -2.750  -8.468
  590    HD3  LYS  77           2HD      LYS  77 -23.629  -2.824  -9.869
  591    HE2  LYS  77           1HE      LYS  77 -26.491  -1.749  -9.891
  592    HE3  LYS  77           2HE      LYS  77 -25.053  -0.747  -9.686
  593    HZ1  LYS  77           3HZ      LYS  77 -25.651  -2.375 -12.100
  594    HZ2  LYS  77           1HZ      LYS  77 -24.299  -1.474 -11.890
  595    HZ3  LYS  77           2HZ      LYS  77 -25.758  -0.754 -11.991
  596    H    GLY  78           H        GLY  78 -25.748  -7.557  -7.217
  597    HA2  GLY  78           1HA      GLY  78 -28.298  -6.418  -6.594
  598    HA3  GLY  78           2HA      GLY  78 -27.716  -8.015  -6.104
  599    H    HIS  79           H        HIS  79 -25.590  -7.440  -4.388
  600    HA   HIS  79           HA       HIS  79 -26.934  -6.537  -2.005
  601    HB2  HIS  79           1HB      HIS  79 -25.060  -8.214  -2.184
  602    HB3  HIS  79           2HB      HIS  79 -23.953  -6.869  -2.439
  603    HD1  HIS  79           1HD      HIS  79 -25.400  -5.010  -0.056
  604    HD2  HIS  79           2HD      HIS  79 -24.098  -9.002   0.123
  605    HE1  HIS  79           1HE      HIS  79 -24.965  -5.508   2.413
  606    H    LEU  80           H        LEU  80 -24.737  -4.888  -4.312
  607    HA   LEU  80           HA       LEU  80 -24.527  -2.462  -2.795
  608    HB2  LEU  80           1HB      LEU  80 -22.979  -3.028  -4.619
  609    HB3  LEU  80           2HB      LEU  80 -24.302  -2.960  -5.787
  610    HG   LEU  80           HG       LEU  80 -24.617  -0.537  -5.307
  611   HD11  LEU  80          1HD1      LEU  80 -23.762  -0.415  -2.989
  612   HD12  LEU  80          2HD1      LEU  80 -22.877   0.672  -4.041
  613   HD13  LEU  80          3HD1      LEU  80 -22.134  -0.867  -3.560
  614   HD21  LEU  80          3HD2      LEU  80 -21.745  -1.200  -5.979
  615   HD22  LEU  80          1HD2      LEU  80 -22.657   0.250  -6.448
  616   HD23  LEU  80          2HD2      LEU  80 -23.106  -1.322  -7.122
  617    H    LYS  81           H        LYS  81 -26.899  -3.481  -5.309
  618    HA   LYS  81           HA       LYS  81 -28.441  -1.078  -5.320
  619    HB2  LYS  81           1HB      LYS  81 -28.609  -2.906  -6.985
  620    HB3  LYS  81           2HB      LYS  81 -29.362  -3.953  -5.776
  621    HG2  LYS  81           1HG      LYS  81 -31.275  -2.405  -5.594
  622    HG3  LYS  81           2HG      LYS  81 -30.498  -1.286  -6.734
  623    HD2  LYS  81           1HD      LYS  81 -30.546  -3.041  -8.486
  624    HD3  LYS  81           2HD      LYS  81 -31.344  -4.157  -7.374
  625    HE2  LYS  81           1HE      LYS  81 -32.478  -1.452  -8.232
  626    HE3  LYS  81           2HE      LYS  81 -32.845  -2.975  -9.043
  627    HZ1  LYS  81           3HZ      LYS  81 -33.790  -3.802  -6.958
  628    HZ2  LYS  81           1HZ      LYS  81 -34.554  -2.442  -7.430
  629    HZ3  LYS  81           2HZ      LYS  81 -33.481  -2.383  -6.203
  630    H    VAL  82           H        VAL  82 -28.777  -3.984  -3.233
  631    HA   VAL  82           HA       VAL  82 -30.915  -2.936  -1.621
  632    HB   VAL  82           HB       VAL  82 -28.753  -4.974  -0.957
  633   HG11  VAL  82          1HG1      VAL  82 -30.277  -5.714   0.872
  634   HG12  VAL  82          2HG1      VAL  82 -29.627  -4.103   1.170
  635   HG13  VAL  82          3HG1      VAL  82 -31.298  -4.286   0.586
  636   HG21  VAL  82          3HG2      VAL  82 -30.553  -6.607  -1.337
  637   HG22  VAL  82          1HG2      VAL  82 -31.702  -5.297  -1.691
  638   HG23  VAL  82          2HG2      VAL  82 -30.343  -5.616  -2.783
  639    H    HIS  83           H        HIS  83 -27.326  -2.658  -1.134
  640    HA   HIS  83           HA       HIS  83 -27.439  -1.117   1.244
  641    HB2  HIS  83           1HB      HIS  83 -25.340  -1.983   0.505
  642    HB3  HIS  83           2HB      HIS  83 -25.456  -1.176  -1.052
  643    HD1  HIS  83           1HD      HIS  83 -24.674  -0.336   2.612
  644    HD2  HIS  83           2HD      HIS  83 -24.690   1.356  -1.232
  645    HE1  HIS  83           1HE      HIS  83 -23.532   1.919   2.844
  646    H    ILE  84           H        ILE  84 -27.503   0.083  -2.166
  647    HA   ILE  84           HA       ILE  84 -27.712   2.841  -1.413
  648    HB   ILE  84           HB       ILE  84 -28.356   1.385  -3.990
  649   HG12  ILE  84          1HG1      ILE  84 -26.040   3.226  -3.201
  650   HG13  ILE  84          2HG1      ILE  84 -25.956   1.473  -3.164
  651   HG21  ILE  84          1HG2      ILE  84 -28.309   4.393  -3.450
  652   HG22  ILE  84          2HG2      ILE  84 -28.372   3.650  -5.065
  653   HG23  ILE  84          3HG2      ILE  84 -29.710   3.417  -3.966
  654   HD11  ILE  84          3HD1      ILE  84 -24.888   2.197  -5.161
  655   HD12  ILE  84          1HD1      ILE  84 -26.409   1.409  -5.624
  656   HD13  ILE  84          2HD1      ILE  84 -26.269   3.186  -5.647
  657    H    GLU  85           H        GLU  85 -30.297   0.493  -2.246
  658    HA   GLU  85           HA       GLU  85 -32.412   2.413  -1.887
  659    HB2  GLU  85           1HB      GLU  85 -32.361  -0.634  -1.930
  660    HB3  GLU  85           2HB      GLU  85 -33.845   0.297  -1.860
  661    HG2  GLU  85           1HG      GLU  85 -31.800   0.427  -4.119
  662    HG3  GLU  85           2HG      GLU  85 -33.320  -0.453  -4.151
  663    H    ARG  86           H        ARG  86 -30.768   0.363   0.482
  664    HA   ARG  86           HA       ARG  86 -32.824   0.967   2.553
  665    HB2  ARG  86           1HB      ARG  86 -30.318  -0.756   2.614
  666    HB3  ARG  86           2HB      ARG  86 -31.408  -0.544   3.970
  667    HG2  ARG  86           1HG      ARG  86 -32.177  -1.779   1.287
  668    HG3  ARG  86           2HG      ARG  86 -31.795  -2.669   2.753
  669    HD2  ARG  86           1HD      ARG  86 -34.145  -0.769   2.377
  670    HD3  ARG  86           2HD      ARG  86 -34.206  -2.535   2.331
  671    HE   ARG  86           HE       ARG  86 -33.056  -1.870   4.808
  672   HH11  ARG  86          2HH1      ARG  86 -36.183  -1.424   3.292
  673   HH12  ARG  86          1HH1      ARG  86 -37.021  -1.403   4.821
  674   HH21  ARG  86          2HH2      ARG  86 -34.182  -1.811   6.720
  675   HH22  ARG  86          1HH2      ARG  86 -35.909  -1.612   6.706
  676    H    VAL  87           H        VAL  87 -29.475   1.907   1.853
  677    HA   VAL  87           HA       VAL  87 -29.337   3.379   4.430
  678    HB   VAL  87           HB       VAL  87 -27.160   2.904   2.367
  679   HG11  VAL  87          1HG1      VAL  87 -25.626   3.490   4.223
  680   HG12  VAL  87          2HG1      VAL  87 -26.641   4.851   3.753
  681   HG13  VAL  87          3HG1      VAL  87 -27.023   3.935   5.229
  682   HG21  VAL  87          3HG2      VAL  87 -26.314   1.243   4.031
  683   HG22  VAL  87          1HG2      VAL  87 -27.779   1.484   5.004
  684   HG23  VAL  87          2HG2      VAL  87 -27.882   0.765   3.382
  685    H    HIS  88           H        HIS  88 -29.272   4.110   0.919
  686    HA   HIS  88           HA       HIS  88 -28.961   6.999   1.593
  687    HB2  HIS  88           1HB      HIS  88 -28.415   5.523  -0.991
  688    HB3  HIS  88           2HB      HIS  88 -28.147   7.241  -0.695
  689    HD1  HIS  88           1HD      HIS  88 -26.391   7.645   1.604
  690    HD2  HIS  88           2HD      HIS  88 -26.298   4.066  -0.585
  691    HE1  HIS  88           1HE      HIS  88 -24.144   6.576   2.118
  692    H    LYS  89           H        LYS  89 -31.309   4.825   0.139
  693    HA   LYS  89           HA       LYS  89 -33.058   7.140  -0.541
  694    HB2  LYS  89           1HB      LYS  89 -33.260   4.214  -1.203
  695    HB3  LYS  89           2HB      LYS  89 -34.659   5.264  -1.249
  696    HG2  LYS  89           1HG      LYS  89 -33.877   5.188  -3.440
  697    HG3  LYS  89           2HG      LYS  89 -33.471   6.793  -2.837
  698    HD2  LYS  89           1HD      LYS  89 -31.114   6.085  -2.514
  699    HD3  LYS  89           2HD      LYS  89 -31.529   4.451  -3.035
  700    HE2  LYS  89           1HE      LYS  89 -31.634   6.994  -4.722
  701    HE3  LYS  89           2HE      LYS  89 -30.402   5.733  -4.798
  702    HZ1  LYS  89           3HZ      LYS  89 -31.914   5.259  -6.535
  703    HZ2  LYS  89           1HZ      LYS  89 -33.236   5.491  -5.606
  704    HZ3  LYS  89           2HZ      LYS  89 -32.317   4.172  -5.360
  705    H    LYS  90           H        LYS  90 -35.110   7.332   0.324
  706    HA   LYS  90           HA       LYS  90 -35.332   6.694   3.193
  707    HB2  LYS  90           1HB      LYS  90 -37.138   8.282   1.319
  708    HB3  LYS  90           2HB      LYS  90 -37.416   8.072   3.052
  709    HG2  LYS  90           1HG      LYS  90 -35.229   9.144   3.547
  710    HG3  LYS  90           2HG      LYS  90 -34.973   9.407   1.811
  711    HD2  LYS  90           1HD      LYS  90 -37.015  10.823   1.717
  712    HD3  LYS  90           2HD      LYS  90 -37.317  10.502   3.428
  713    HE2  LYS  90           1HE      LYS  90 -36.339  12.670   3.295
  714    HE3  LYS  90           2HE      LYS  90 -35.143  11.587   4.009
  715    HZ1  LYS  90           3HZ      LYS  90 -34.173  13.037   2.307
  716    HZ2  LYS  90           1HZ      LYS  90 -35.175  12.454   1.161
  717    HZ3  LYS  90           2HZ      LYS  90 -34.039  11.484   1.833
  718    H    ILE  91           H        ILE  91 -37.126   5.688   4.178
  719    HA   ILE  91           HA       ILE  91 -38.072   3.311   2.821
  720    HB   ILE  91           HB       ILE  91 -37.346   3.325   5.167
  721   HG12  ILE  91          1HG1      ILE  91 -40.251   2.462   4.873
  722   HG13  ILE  91          2HG1      ILE  91 -38.871   1.594   4.194
  723   HG21  ILE  91          1HG2      ILE  91 -39.941   4.790   5.824
  724   HG22  ILE  91          2HG2      ILE  91 -38.703   4.230   6.965
  725   HG23  ILE  91          3HG2      ILE  91 -38.332   5.540   5.847
  726   HD11  ILE  91          3HD1      ILE  91 -39.423   2.058   7.153
  727   HD12  ILE  91          1HD1      ILE  91 -39.520   0.533   6.261
  728   HD13  ILE  91          2HD1      ILE  91 -37.943   1.309   6.501
  729    H    LYS  92           H        LYS  92 -40.108   2.767   2.284
  730    HA   LYS  92           HA       LYS  92 -42.349   4.706   2.357
  731    HB2  LYS  92           1HB      LYS  92 -41.059   5.129   0.262
  732    HB3  LYS  92           2HB      LYS  92 -41.334   3.452  -0.230
  733    HG2  LYS  92           1HG      LYS  92 -43.794   3.853  -0.194
  734    HG3  LYS  92           2HG      LYS  92 -43.517   5.528   0.297
  735    HD2  LYS  92           1HD      LYS  92 -42.559   4.267  -2.315
  736    HD3  LYS  92           2HD      LYS  92 -44.016   5.254  -2.127
  737    HE2  LYS  92           1HE      LYS  92 -42.613   7.169  -1.357
  738    HE3  LYS  92           2HE      LYS  92 -41.159   6.195  -1.608
  739    HZ1  LYS  92           3HZ      LYS  92 -41.609   7.615  -3.521
  740    HZ2  LYS  92           1HZ      LYS  92 -43.086   6.957  -3.739
  741    HZ3  LYS  92           2HZ      LYS  92 -41.744   6.053  -3.972
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1  -4.012  41.472  -8.007
    2    H2   GLY   1           2H       GLY   1  -5.060  41.692  -9.248
    3    H3   GLY   1           3H       GLY   1  -3.584  41.040  -9.529
    4    HA2  GLY   1           1HA      GLY   1  -4.130  39.080  -8.246
    5    HA3  GLY   1           2HA      GLY   1  -5.723  39.790  -7.925
    6    H    SER   2           H        SER   2  -4.709  37.317  -9.441
    7    HA   SER   2           HA       SER   2  -6.319  37.655 -11.938
    8    HB2  SER   2           1HB      SER   2  -3.566  36.363 -11.764
    9    HB3  SER   2           2HB      SER   2  -4.618  36.393 -13.191
   10    HG   SER   2           HG       SER   2  -3.026  38.052 -13.242
   11    H    SER   3           H        SER   3  -7.173  35.727 -12.803
   12    HA   SER   3           HA       SER   3  -7.991  33.783 -10.820
   13    HB2  SER   3           1HB      SER   3  -8.654  33.947 -13.778
   14    HB3  SER   3           2HB      SER   3  -9.490  32.965 -12.557
   15    HG   SER   3           HG       SER   3 -10.565  34.958 -12.954
   16    H    GLY   4           H        GLY   4  -5.420  33.308 -10.812
   17    HA2  GLY   4           1HA      GLY   4  -4.423  31.337 -12.688
   18    HA3  GLY   4           2HA      GLY   4  -3.703  31.785 -11.147
   19    H    SER   5           H        SER   5  -3.534  29.232 -11.923
   20    HA   SER   5           HA       SER   5  -5.098  27.755  -9.892
   21    HB2  SER   5           1HB      SER   5  -6.418  27.494 -11.944
   22    HB3  SER   5           2HB      SER   5  -4.979  26.942 -12.823
   23    HG   SER   5           HG       SER   5  -6.385  25.240 -12.002
   24    H    SER   6           H        SER   6  -4.091  25.899  -9.137
   25    HA   SER   6           HA       SER   6  -1.197  25.661  -9.474
   26    HB2  SER   6           1HB      SER   6  -3.149  23.908  -7.937
   27    HB3  SER   6           2HB      SER   6  -1.380  23.896  -7.793
   28    HG   SER   6           HG       SER   6  -2.385  25.157  -6.149
   29    H    GLY   7           H        GLY   7  -3.842  24.352 -11.219
   30    HA2  GLY   7           1HA      GLY   7  -3.980  22.727 -12.867
   31    HA3  GLY   7           2HA      GLY   7  -2.219  22.617 -12.848
   32    H    LYS   8           H        LYS   8  -1.958  20.430 -12.854
   33    HA   LYS   8           HA       LYS   8  -2.776  18.939 -10.408
   34    HB2  LYS   8           1HB      LYS   8  -4.213  18.289 -12.354
   35    HB3  LYS   8           2HB      LYS   8  -2.766  17.733 -13.208
   36    HG2  LYS   8           1HG      LYS   8  -2.351  16.041 -11.476
   37    HG3  LYS   8           2HG      LYS   8  -3.667  16.693 -10.481
   38    HD2  LYS   8           1HD      LYS   8  -5.304  16.090 -12.241
   39    HD3  LYS   8           2HD      LYS   8  -3.991  15.422 -13.237
   40    HE2  LYS   8           1HE      LYS   8  -3.457  13.790 -11.452
   41    HE3  LYS   8           2HE      LYS   8  -4.717  14.482 -10.423
   42    HZ1  LYS   8           3HZ      LYS   8  -5.218  13.167 -13.043
   43    HZ2  LYS   8           1HZ      LYS   8  -6.368  13.799 -12.070
   44    HZ3  LYS   8           2HZ      LYS   8  -5.513  12.500 -11.583
   45    H    ILE   9           H        ILE   9  -1.328  17.559  -9.567
   46    HA   ILE   9           HA       ILE   9   1.481  17.610 -10.580
   47    HB   ILE   9           HB       ILE   9   0.538  18.261  -7.755
   48   HG12  ILE   9          1HG1      ILE   9   1.855  20.051  -9.855
   49   HG13  ILE   9          2HG1      ILE   9   0.170  20.138  -9.349
   50   HG21  ILE   9          1HG2      ILE   9   3.356  18.115  -8.909
   51   HG22  ILE   9          2HG2      ILE   9   2.937  18.675  -7.275
   52   HG23  ILE   9          3HG2      ILE   9   2.643  17.010  -7.705
   53   HD11  ILE   9          3HD1      ILE   9   2.569  20.848  -7.649
   54   HD12  ILE   9          1HD1      ILE   9   1.292  21.905  -8.260
   55   HD13  ILE   9          2HD1      ILE   9   0.905  20.691  -7.025
   56    H    PHE  10           H        PHE  10   2.708  15.797 -10.078
   57    HA   PHE  10           HA       PHE  10   1.177  13.421  -9.082
   58    HB2  PHE  10           1HB      PHE  10   3.182  13.552 -11.361
   59    HB3  PHE  10           2HB      PHE  10   2.239  12.158 -10.861
   60    HD1  PHE  10           1HD      PHE  10   2.109  15.460 -12.536
   61    HD2  PHE  10           2HD      PHE  10  -0.137  11.934 -11.482
   62    HE1  PHE  10           1HE      PHE  10   0.276  16.180 -14.046
   63    HE2  PHE  10           2HE      PHE  10  -1.964  12.651 -13.001
   64    HZ   PHE  10           HZ       PHE  10  -1.762  14.773 -14.286
   65    H    THR  11           H        THR  11   2.152  12.222  -7.501
   66    HA   THR  11           HA       THR  11   4.981  12.881  -6.778
   67    HB   THR  11           HB       THR  11   2.621  12.553  -4.903
   68    HG1  THR  11           1HG      THR  11   2.810  14.763  -4.643
   69   HG21  THR  11          3HG2      THR  11   4.158  13.531  -3.214
   70   HG22  THR  11          1HG2      THR  11   5.486  13.465  -4.394
   71   HG23  THR  11          2HG2      THR  11   4.735  11.966  -3.797
   72    H    CYS  12           H        CYS  12   6.296  11.289  -6.149
   73    HA   CYS  12           HA       CYS  12   5.578   8.502  -6.497
   74    HB2  CYS  12           1HB      CYS  12   7.739   9.414  -7.127
   75    HB3  CYS  12           2HB      CYS  12   8.060   9.898  -5.447
   76    H    GLU  13           H        GLU  13   4.933   7.057  -5.046
   77    HA   GLU  13           HA       GLU  13   4.434   7.875  -2.263
   78    HB2  GLU  13           1HB      GLU  13   3.140   5.880  -2.060
   79    HB3  GLU  13           2HB      GLU  13   2.706   6.708  -3.553
   80    HG2  GLU  13           1HG      GLU  13   4.141   5.101  -4.835
   81    HG3  GLU  13           2HG      GLU  13   4.511   4.259  -3.325
   82    H    TYR  14           H        TYR  14   7.092   6.524  -3.812
   83    HA   TYR  14           HA       TYR  14   7.918   4.870  -1.462
   84    HB2  TYR  14           1HB      TYR  14   8.967   4.979  -4.290
   85    HB3  TYR  14           2HB      TYR  14   9.557   3.915  -3.028
   86    HD1  TYR  14           2HD      TYR  14   8.110   2.066  -2.144
   87    HD2  TYR  14           1HD      TYR  14   6.982   4.453  -5.555
   88    HE1  TYR  14           2HE      TYR  14   6.489   0.304  -2.846
   89    HE2  TYR  14           1HE      TYR  14   5.365   2.689  -6.255
   90    HH   TYR  14           HH       TYR  14   4.451   0.645  -5.773
   91    H    CYS  15           H        CYS  15   8.968   7.695  -3.370
   92    HA   CYS  15           HA       CYS  15  11.014   8.234  -1.286
   93    HB2  CYS  15           1HB      CYS  15  12.674   8.856  -2.864
   94    HB3  CYS  15           2HB      CYS  15  12.168   7.191  -3.138
   95    H    ASN  16           H        ASN  16   8.262   9.414  -2.412
   96    HA   ASN  16           HA       ASN  16   7.187  11.361  -2.362
   97    HB2  ASN  16           1HB      ASN  16   8.048  11.078  -0.020
   98    HB3  ASN  16           2HB      ASN  16   9.306  12.257  -0.394
   99   HD21  ASN  16          1HD2      ASN  16   5.705  11.894  -0.608
  100   HD22  ASN  16          2HD2      ASN  16   5.396  13.541  -0.085
  101    H    LYS  17           H        LYS  17   9.581  11.235  -4.322
  102    HA   LYS  17           HA       LYS  17  10.165  13.968  -5.037
  103    HB2  LYS  17           1HB      LYS  17  10.106  11.354  -6.583
  104    HB3  LYS  17           2HB      LYS  17  10.526  12.901  -7.351
  105    HG2  LYS  17           1HG      LYS  17  12.422  13.201  -5.834
  106    HG3  LYS  17           2HG      LYS  17  11.962  11.729  -4.954
  107    HD2  LYS  17           1HD      LYS  17  12.184  10.466  -7.168
  108    HD3  LYS  17           2HD      LYS  17  12.822  11.942  -7.884
  109    HE2  LYS  17           1HE      LYS  17  14.570  10.354  -7.291
  110    HE3  LYS  17           2HE      LYS  17  14.763  11.881  -6.420
  111    HZ1  LYS  17           3HZ      LYS  17  13.960  10.866  -4.434
  112    HZ2  LYS  17           1HZ      LYS  17  15.022   9.782  -5.036
  113    HZ3  LYS  17           2HZ      LYS  17  13.395   9.543  -5.187
  114    H    VAL  18           H        VAL  18   9.318  15.244  -6.592
  115    HA   VAL  18           HA       VAL  18   6.414  14.851  -7.233
  116    HB   VAL  18           HB       VAL  18   7.834  17.463  -6.602
  117   HG11  VAL  18          1HG1      VAL  18   5.944  17.798  -8.146
  118   HG12  VAL  18          2HG1      VAL  18   4.907  16.794  -7.103
  119   HG13  VAL  18          3HG1      VAL  18   5.506  18.368  -6.536
  120   HG21  VAL  18          3HG2      VAL  18   5.850  15.837  -4.949
  121   HG22  VAL  18          1HG2      VAL  18   7.559  16.115  -4.547
  122   HG23  VAL  18          2HG2      VAL  18   6.429  17.468  -4.554
  123    H    PHE  19           H        PHE  19   5.730  15.157  -9.235
  124    HA   PHE  19           HA       PHE  19   7.600  16.055 -11.377
  125    HB2  PHE  19           1HB      PHE  19   5.762  13.628 -11.423
  126    HB3  PHE  19           2HB      PHE  19   6.804  14.170 -12.727
  127    HD1  PHE  19           1HD      PHE  19   6.688  12.494  -9.438
  128    HD2  PHE  19           2HD      PHE  19   9.260  13.814 -12.634
  129    HE1  PHE  19           1HE      PHE  19   8.549  11.151  -8.495
  130    HE2  PHE  19           2HE      PHE  19  11.126  12.481 -11.680
  131    HZ   PHE  19           HZ       PHE  19  10.795  11.176  -9.587
  132    H    LYS  20           H        LYS  20   6.685  17.087 -13.126
  133    HA   LYS  20           HA       LYS  20   4.131  18.431 -12.655
  134    HB2  LYS  20           1HB      LYS  20   6.122  18.601 -14.952
  135    HB3  LYS  20           2HB      LYS  20   4.702  19.638 -14.763
  136    HG2  LYS  20           1HG      LYS  20   5.576  20.384 -12.531
  137    HG3  LYS  20           2HG      LYS  20   7.066  19.485 -12.838
  138    HD2  LYS  20           1HD      LYS  20   5.982  21.770 -14.547
  139    HD3  LYS  20           2HD      LYS  20   7.270  21.901 -13.341
  140    HE2  LYS  20           1HE      LYS  20   8.642  20.267 -14.635
  141    HE3  LYS  20           2HE      LYS  20   7.374  20.189 -15.866
  142    HZ1  LYS  20           3HZ      LYS  20   9.110  21.766 -16.487
  143    HZ2  LYS  20           1HZ      LYS  20   8.884  22.641 -15.131
  144    HZ3  LYS  20           2HZ      LYS  20   7.710  22.574 -16.264
  145    H    PHE  21           H        PHE  21   4.958  15.587 -14.380
  146    HA   PHE  21           HA       PHE  21   2.261  15.477 -15.637
  147    HB2  PHE  21           1HB      PHE  21   4.854  14.738 -17.043
  148    HB3  PHE  21           2HB      PHE  21   3.229  14.599 -17.691
  149    HD1  PHE  21           2HD      PHE  21   1.843  16.766 -18.012
  150    HD2  PHE  21           1HD      PHE  21   6.101  16.749 -17.323
  151    HE1  PHE  21           2HE      PHE  21   2.000  19.078 -18.909
  152    HE2  PHE  21           1HE      PHE  21   6.253  19.061 -18.222
  153    HZ   PHE  21           HZ       PHE  21   4.204  20.229 -19.010
  154    H    LYS  22           H        LYS  22   1.378  13.422 -15.851
  155    HA   LYS  22           HA       LYS  22   2.189  11.490 -13.925
  156    HB2  LYS  22           1HB      LYS  22  -0.146  11.908 -14.917
  157    HB3  LYS  22           2HB      LYS  22   0.364  10.925 -16.289
  158    HG2  LYS  22           1HG      LYS  22   0.765   9.005 -14.803
  159    HG3  LYS  22           2HG      LYS  22   0.494   9.996 -13.374
  160    HD2  LYS  22           1HD      LYS  22  -1.422   8.545 -13.862
  161    HD3  LYS  22           2HD      LYS  22  -1.867  10.258 -13.927
  162    HE2  LYS  22           1HE      LYS  22  -1.790  10.248 -16.361
  163    HE3  LYS  22           2HE      LYS  22  -1.162   8.591 -16.380
  164    HZ1  LYS  22           3HZ      LYS  22  -3.556   8.641 -16.804
  165    HZ2  LYS  22           1HZ      LYS  22  -3.851   9.384 -15.383
  166    HZ3  LYS  22           2HZ      LYS  22  -3.273   7.855 -15.404
  167    H    HIS  23           H        HIS  23   2.835  11.593 -17.441
  168    HA   HIS  23           HA       HIS  23   3.927   8.967 -17.618
  169    HB2  HIS  23           1HB      HIS  23   4.960   9.742 -19.711
  170    HB3  HIS  23           2HB      HIS  23   3.249  10.104 -19.588
  171    HD1  HIS  23           1HD      HIS  23   2.599  12.568 -20.133
  172    HD2  HIS  23           2HD      HIS  23   6.681  11.975 -19.288
  173    HE1  HIS  23           1HE      HIS  23   3.763  14.779 -20.637
  174    H    SER  24           H        SER  24   5.481  12.017 -16.602
  175    HA   SER  24           HA       SER  24   8.163  10.984 -16.442
  176    HB2  SER  24           1HB      SER  24   6.858  13.219 -14.846
  177    HB3  SER  24           2HB      SER  24   8.598  12.906 -15.000
  178    HG   SER  24           HG       SER  24   7.972  14.487 -16.492
  179    H    LEU  25           H        LEU  25   5.469  11.116 -14.058
  180    HA   LEU  25           HA       LEU  25   6.973   9.832 -11.960
  181    HB2  LEU  25           1HB      LEU  25   5.000  11.156 -11.447
  182    HB3  LEU  25           2HB      LEU  25   3.980  10.097 -12.426
  183    HG   LEU  25           HG       LEU  25   4.413   8.212 -10.881
  184   HD11  LEU  25          1HD1      LEU  25   5.875  10.253  -9.149
  185   HD12  LEU  25          2HD1      LEU  25   6.642   8.885  -9.986
  186   HD13  LEU  25          3HD1      LEU  25   5.471   8.580  -8.708
  187   HD21  LEU  25          3HD2      LEU  25   3.460  10.703  -9.454
  188   HD22  LEU  25          1HD2      LEU  25   3.110   9.027  -8.992
  189   HD23  LEU  25          2HD2      LEU  25   2.470   9.671 -10.514
  190    H    GLN  26           H        GLN  26   4.729   8.503 -14.462
  191    HA   GLN  26           HA       GLN  26   4.797   5.796 -13.633
  192    HB2  GLN  26           1HB      GLN  26   4.475   7.088 -16.368
  193    HB3  GLN  26           2HB      GLN  26   4.353   5.348 -16.128
  194    HG2  GLN  26           1HG      GLN  26   2.467   5.613 -14.601
  195    HG3  GLN  26           2HG      GLN  26   2.605   7.365 -14.647
  196   HE21  GLN  26          1HE2      GLN  26   1.744   4.489 -16.618
  197   HE22  GLN  26          2HE2      GLN  26   0.852   5.415 -17.817
  198    H    ALA  27           H        ALA  27   7.069   7.492 -15.860
  199    HA   ALA  27           HA       ALA  27   8.709   5.149 -16.274
  200    HB1  ALA  27           1HB      ALA  27   9.307   8.103 -16.657
  201    HB2  ALA  27           2HB      ALA  27  10.239   6.738 -17.319
  202    HB3  ALA  27           3HB      ALA  27   8.567   7.011 -17.858
  203    H    HIS  28           H        HIS  28   8.785   7.758 -13.828
  204    HA   HIS  28           HA       HIS  28  11.328   7.007 -12.675
  205    HB2  HIS  28           1HB      HIS  28  10.462   9.196 -12.227
  206    HB3  HIS  28           2HB      HIS  28   8.925   8.556 -11.644
  207    HD1  HIS  28           1HD      HIS  28  12.645   8.444 -10.552
  208    HD2  HIS  28           2HD      HIS  28   8.722   7.976  -9.112
  209    HE1  HIS  28           1HE      HIS  28  12.869   8.024  -8.066
  210    H    LEU  29           H        LEU  29   7.943   6.078 -11.906
  211    HA   LEU  29           HA       LEU  29   8.439   4.616  -9.574
  212    HB2  LEU  29           1HB      LEU  29   6.298   4.424 -11.709
  213    HB3  LEU  29           2HB      LEU  29   6.270   3.362 -10.312
  214    HG   LEU  29           HG       LEU  29   6.277   6.396 -10.063
  215   HD11  LEU  29          1HD1      LEU  29   4.246   5.623 -11.228
  216   HD12  LEU  29          2HD1      LEU  29   3.864   6.156  -9.584
  217   HD13  LEU  29          3HD1      LEU  29   3.958   4.420  -9.951
  218   HD21  LEU  29          3HD2      LEU  29   5.660   4.185  -8.070
  219   HD22  LEU  29          1HD2      LEU  29   5.423   5.923  -7.786
  220   HD23  LEU  29          2HD2      LEU  29   7.049   5.294  -8.020
  221    H    ARG  30           H        ARG  30   9.146   3.563 -12.835
  222    HA   ARG  30           HA       ARG  30   9.182   0.759 -12.596
  223    HB2  ARG  30           1HB      ARG  30  11.205   2.573 -13.980
  224    HB3  ARG  30           2HB      ARG  30  11.054   0.836 -14.252
  225    HG2  ARG  30           1HG      ARG  30   8.737   1.135 -15.075
  226    HG3  ARG  30           2HG      ARG  30   8.872   2.884 -14.854
  227    HD2  ARG  30           1HD      ARG  30  10.617   1.192 -16.690
  228    HD3  ARG  30           2HD      ARG  30   9.247   2.195 -17.203
  229    HE   ARG  30           HE       ARG  30  10.956   3.902 -15.768
  230   HH11  ARG  30          2HH1      ARG  30  11.203   2.111 -18.774
  231   HH12  ARG  30          1HH1      ARG  30  12.379   3.218 -19.431
  232   HH21  ARG  30          2HH2      ARG  30  12.457   5.224 -16.628
  233   HH22  ARG  30          1HH2      ARG  30  13.066   4.954 -18.238
  234    H    ILE  31           H        ILE  31  11.576   3.023 -11.215
  235    HA   ILE  31           HA       ILE  31  13.499   0.983 -10.563
  236    HB   ILE  31           HB       ILE  31  14.681   2.555  -9.372
  237   HG12  ILE  31          1HG1      ILE  31  12.229   4.334  -9.188
  238   HG13  ILE  31          2HG1      ILE  31  13.046   3.490  -7.877
  239   HG21  ILE  31          1HG2      ILE  31  13.392   4.165 -11.606
  240   HG22  ILE  31          2HG2      ILE  31  15.060   4.257 -11.015
  241   HG23  ILE  31          3HG2      ILE  31  14.520   2.815 -11.876
  242   HD11  ILE  31          3HD1      ILE  31  13.726   5.757  -7.757
  243   HD12  ILE  31          1HD1      ILE  31  15.114   4.818  -8.345
  244   HD13  ILE  31          2HD1      ILE  31  14.156   5.805  -9.479
  245    H    HIS  32           H        HIS  32  10.606   2.026  -8.975
  246    HA   HIS  32           HA       HIS  32  11.290   0.692  -6.409
  247    HB2  HIS  32           1HB      HIS  32   8.830   2.292  -7.185
  248    HB3  HIS  32           2HB      HIS  32   9.273   1.743  -5.576
  249    HD1  HIS  32           1HD      HIS  32  11.849   2.910  -4.769
  250    HD2  HIS  32           2HD      HIS  32   9.313   4.765  -7.551
  251    HE1  HIS  32           1HE      HIS  32  12.425   5.385  -4.686
  252    H    THR  33           H        THR  33   8.919   0.418  -9.117
  253    HA   THR  33           HA       THR  33   7.427  -1.685  -7.771
  254    HB   THR  33           HB       THR  33   6.112  -1.758  -9.858
  255    HG1  THR  33           1HG      THR  33   6.608  -0.271 -11.477
  256   HG21  THR  33          3HG2      THR  33   5.560  -0.090  -8.109
  257   HG22  THR  33          1HG2      THR  33   5.185   0.502  -9.736
  258   HG23  THR  33          2HG2      THR  33   6.632   1.091  -8.891
  259    H    ASN  34           H        ASN  34   9.917  -1.701 -10.303
  260    HA   ASN  34           HA       ASN  34   9.341  -4.459 -11.039
  261    HB2  ASN  34           1HB      ASN  34  10.038  -2.481 -12.548
  262    HB3  ASN  34           2HB      ASN  34  11.679  -2.759 -11.965
  263   HD21  ASN  34          1HD2      ASN  34  11.853  -3.024 -14.446
  264   HD22  ASN  34          2HD2      ASN  34  11.613  -4.660 -15.046
  265    H    GLU  35           H        GLU  35  11.499  -5.792 -11.492
  266    HA   GLU  35           HA       GLU  35  13.045  -7.200 -10.740
  267    HB2  GLU  35           1HB      GLU  35  13.949  -5.031  -8.834
  268    HB3  GLU  35           2HB      GLU  35  14.851  -6.469  -9.309
  269    HG2  GLU  35           1HG      GLU  35  14.744  -5.706 -11.701
  270    HG3  GLU  35           2HG      GLU  35  14.004  -4.199 -11.157
  271    H    LYS  36           H        LYS  36  10.398  -6.798  -9.025
  272    HA   LYS  36           HA       LYS  36  11.108  -8.719  -6.864
  273    HB2  LYS  36           1HB      LYS  36   8.732  -6.983  -7.417
  274    HB3  LYS  36           2HB      LYS  36   8.423  -8.555  -6.698
  275    HG2  LYS  36           1HG      LYS  36   8.649  -6.998  -4.902
  276    HG3  LYS  36           2HG      LYS  36  10.017  -8.104  -4.880
  277    HD2  LYS  36           1HD      LYS  36  10.874  -5.934  -4.391
  278    HD3  LYS  36           2HD      LYS  36  11.401  -6.311  -6.032
  279    HE2  LYS  36           1HE      LYS  36   9.345  -4.992  -6.854
  280    HE3  LYS  36           2HE      LYS  36   9.089  -4.514  -5.170
  281    HZ1  LYS  36           3HZ      LYS  36  11.442  -3.617  -5.274
  282    HZ2  LYS  36           1HZ      LYS  36  10.358  -2.819  -6.209
  283    HZ3  LYS  36           2HZ      LYS  36  11.394  -3.869  -6.910
  284    HA   PRO  37           HA       PRO  37  10.530 -11.881  -9.874
  285    HB2  PRO  37           1HB      PRO  37  10.507 -14.143  -8.268
  286    HB3  PRO  37           2HB      PRO  37  11.954 -13.187  -8.682
  287    HG2  PRO  37           1HG      PRO  37  10.257 -12.995  -6.183
  288    HG3  PRO  37           2HG      PRO  37  12.042 -13.088  -6.302
  289    HD2  PRO  37           1HD      PRO  37  10.771 -10.719  -5.985
  290    HD3  PRO  37           2HD      PRO  37  12.183 -10.851  -7.071
  291    H    TYR  38           H        TYR  38   8.281 -12.035  -7.085
  292    HA   TYR  38           HA       TYR  38   6.459 -13.774  -8.620
  293    HB2  TYR  38           1HB      TYR  38   6.349 -12.862  -5.735
  294    HB3  TYR  38           2HB      TYR  38   5.280 -14.033  -6.489
  295    HD1  TYR  38           1HD      TYR  38   6.395 -16.117  -7.646
  296    HD2  TYR  38           2HD      TYR  38   8.353 -13.613  -4.743
  297    HE1  TYR  38           1HE      TYR  38   8.089 -17.902  -7.244
  298    HE2  TYR  38           2HE      TYR  38  10.035 -15.402  -4.318
  299    HH   TYR  38           HH       TYR  38  10.760 -17.506  -4.888
  300    H    LYS  39           H        LYS  39   5.630 -12.462 -10.186
  301    HA   LYS  39           HA       LYS  39   4.171  -9.988  -9.447
  302    HB2  LYS  39           1HB      LYS  39   5.100 -11.129 -12.089
  303    HB3  LYS  39           2HB      LYS  39   4.043  -9.714 -11.962
  304    HG2  LYS  39           1HG      LYS  39   5.699  -8.502 -10.679
  305    HG3  LYS  39           2HG      LYS  39   6.765  -9.914 -10.605
  306    HD2  LYS  39           1HD      LYS  39   7.048  -9.836 -13.054
  307    HD3  LYS  39           2HD      LYS  39   5.951  -8.438 -13.147
  308    HE2  LYS  39           1HE      LYS  39   7.489  -7.143 -11.679
  309    HE3  LYS  39           2HE      LYS  39   8.585  -8.529 -11.599
  310    HZ1  LYS  39           3HZ      LYS  39   8.935  -8.326 -13.991
  311    HZ2  LYS  39           1HZ      LYS  39   9.272  -6.886 -13.290
  312    HZ3  LYS  39           2HZ      LYS  39   7.872  -7.089 -14.103
  313    H    CYS  40           H        CYS  40   2.100  -9.656  -9.617
  314    HA   CYS  40           HA       CYS  40   0.188 -11.826  -9.828
  315    HB2  CYS  40           1HB      CYS  40  -0.060 -10.035  -8.211
  316    HB3  CYS  40           2HB      CYS  40  -0.071  -8.827  -9.518
  317    HA   PRO  41           HA       PRO  41  -0.340 -11.039 -14.280
  318    HB2  PRO  41           1HB      PRO  41  -2.092 -13.032 -14.881
  319    HB3  PRO  41           2HB      PRO  41  -0.376 -13.348 -14.484
  320    HG2  PRO  41           1HG      PRO  41  -2.779 -13.550 -12.644
  321    HG3  PRO  41           2HG      PRO  41  -1.456 -14.732 -12.873
  322    HD2  PRO  41           1HD      PRO  41  -1.500 -12.878 -10.835
  323    HD3  PRO  41           2HD      PRO  41   0.021 -13.473 -11.567
  324    H    GLN  42           H        GLN  42  -2.579 -10.470 -11.763
  325    HA   GLN  42           HA       GLN  42  -4.748  -9.616 -13.636
  326    HB2  GLN  42           1HB      GLN  42  -4.819 -10.630 -10.783
  327    HB3  GLN  42           2HB      GLN  42  -6.208  -9.892 -11.594
  328    HG2  GLN  42           1HG      GLN  42  -6.113 -11.578 -13.389
  329    HG3  GLN  42           2HG      GLN  42  -4.710 -12.334 -12.639
  330   HE21  GLN  42          1HE2      GLN  42  -5.009 -13.429 -10.518
  331   HE22  GLN  42          2HE2      GLN  42  -6.622 -13.998 -10.112
  332    H    CYS  43           H        CYS  43  -2.604  -8.219 -11.130
  333    HA   CYS  43           HA       CYS  43  -3.785  -5.611 -11.927
  334    HB2  CYS  43           1HB      CYS  43  -3.921  -4.848  -9.643
  335    HB3  CYS  43           2HB      CYS  43  -4.924  -6.277  -9.882
  336    H    SER  44           H        SER  44  -1.093  -7.209 -12.215
  337    HA   SER  44           HA       SER  44   1.098  -6.807 -12.398
  338    HB2  SER  44           1HB      SER  44   0.353  -3.879 -12.601
  339    HB3  SER  44           2HB      SER  44   1.871  -4.625 -13.124
  340    HG   SER  44           HG       SER  44   0.369  -4.379 -14.853
  341    H    TYR  45           H        TYR  45  -0.173  -6.490  -9.586
  342    HA   TYR  45           HA       TYR  45   1.708  -5.189  -7.885
  343    HB2  TYR  45           1HB      TYR  45  -0.444  -5.899  -7.099
  344    HB3  TYR  45           2HB      TYR  45  -0.205  -7.542  -7.660
  345    HD1  TYR  45           2HD      TYR  45   0.643  -5.045  -5.063
  346    HD2  TYR  45           1HD      TYR  45   1.105  -9.157  -6.295
  347    HE1  TYR  45           2HE      TYR  45   1.477  -5.641  -2.791
  348    HE2  TYR  45           1HE      TYR  45   1.927  -9.751  -4.024
  349    HH   TYR  45           HH       TYR  45   2.433  -8.963  -1.885
  350    H    ALA  46           H        ALA  46   3.445  -6.152  -6.695
  351    HA   ALA  46           HA       ALA  46   4.461  -8.764  -7.595
  352    HB1  ALA  46           1HB      ALA  46   5.460  -6.982  -9.102
  353    HB2  ALA  46           2HB      ALA  46   6.316  -6.366  -7.679
  354    HB3  ALA  46           3HB      ALA  46   6.612  -8.032  -8.258
  355    H    SER  47           H        SER  47   5.816  -9.844  -6.235
  356    HA   SER  47           HA       SER  47   6.560  -8.630  -3.615
  357    HB2  SER  47           1HB      SER  47   4.402  -9.860  -3.419
  358    HB3  SER  47           2HB      SER  47   5.225 -11.344  -3.941
  359    HG   SER  47           HG       SER  47   5.005 -10.584  -1.547
  360    H    ALA  48           H        ALA  48   8.119  -9.809  -2.425
  361    HA   ALA  48           HA       ALA  48  10.145 -11.249  -4.041
  362    HB1  ALA  48           1HB      ALA  48  10.260 -10.122  -1.215
  363    HB2  ALA  48           2HB      ALA  48  11.614 -10.824  -2.126
  364    HB3  ALA  48           3HB      ALA  48  10.864  -9.320  -2.685
  365    H    ILE  49           H        ILE  49   7.436 -12.109  -2.236
  366    HA   ILE  49           HA       ILE  49   8.605 -14.762  -1.472
  367    HB   ILE  49           HB       ILE  49   6.484 -13.225   0.062
  368   HG12  ILE  49          1HG1      ILE  49   9.439 -13.604   0.702
  369   HG13  ILE  49          2HG1      ILE  49   8.635 -12.083   0.300
  370   HG21  ILE  49          1HG2      ILE  49   8.003 -15.779   0.774
  371   HG22  ILE  49          2HG2      ILE  49   6.741 -14.998   1.749
  372   HG23  ILE  49          3HG2      ILE  49   6.318 -15.725   0.219
  373   HD11  ILE  49          3HD1      ILE  49   8.244 -13.700   2.834
  374   HD12  ILE  49          1HD1      ILE  49   8.965 -12.096   2.650
  375   HD13  ILE  49          2HD1      ILE  49   7.225 -12.314   2.362
  376    H    LYS  50           H        LYS  50   7.644 -16.480  -2.324
  377    HA   LYS  50           HA       LYS  50   5.546 -16.278  -4.246
  378    HB2  LYS  50           1HB      LYS  50   7.404 -18.004  -4.110
  379    HB3  LYS  50           2HB      LYS  50   6.498 -18.807  -2.829
  380    HG2  LYS  50           1HG      LYS  50   4.596 -19.162  -4.378
  381    HG3  LYS  50           2HG      LYS  50   5.452 -18.264  -5.649
  382    HD2  LYS  50           1HD      LYS  50   7.269 -19.962  -5.619
  383    HD3  LYS  50           2HD      LYS  50   6.399 -20.864  -4.357
  384    HE2  LYS  50           1HE      LYS  50   4.464 -21.137  -5.893
  385    HE3  LYS  50           2HE      LYS  50   5.327 -20.240  -7.148
  386    HZ1  LYS  50           3HZ      LYS  50   7.025 -21.995  -7.141
  387    HZ2  LYS  50           1HZ      LYS  50   5.559 -22.637  -7.459
  388    HZ3  LYS  50           2HZ      LYS  50   6.225 -22.825  -5.982
  389    H    ALA  51           H        ALA  51   5.442 -17.484  -0.888
  390    HA   ALA  51           HA       ALA  51   2.687 -18.205  -0.872
  391    HB1  ALA  51           1HB      ALA  51   4.350 -18.987   0.776
  392    HB2  ALA  51           2HB      ALA  51   4.508 -17.336   1.422
  393    HB3  ALA  51           3HB      ALA  51   2.972 -18.213   1.581
  394    H    ASN  52           H        ASN  52   4.232 -15.020  -0.363
  395    HA   ASN  52           HA       ASN  52   1.846 -13.700   0.607
  396    HB2  ASN  52           1HB      ASN  52   4.074 -12.758   0.986
  397    HB3  ASN  52           2HB      ASN  52   4.357 -12.647  -0.757
  398   HD21  ASN  52          1HD2      ASN  52   2.333 -11.325   1.895
  399   HD22  ASN  52          2HD2      ASN  52   1.958  -9.850   1.016
  400    H    LEU  53           H        LEU  53   3.231 -14.117  -2.727
  401    HA   LEU  53           HA       LEU  53   1.038 -12.821  -4.024
  402    HB2  LEU  53           1HB      LEU  53   3.166 -13.231  -5.147
  403    HB3  LEU  53           2HB      LEU  53   2.924 -14.977  -5.032
  404    HG   LEU  53           HG       LEU  53   0.936 -14.820  -6.509
  405   HD11  LEU  53          1HD1      LEU  53   1.663 -11.862  -6.718
  406   HD12  LEU  53          2HD1      LEU  53   0.164 -12.533  -6.034
  407   HD13  LEU  53          3HD1      LEU  53   0.494 -12.719  -7.752
  408   HD21  LEU  53          3HD2      LEU  53   3.204 -15.172  -7.458
  409   HD22  LEU  53          1HD2      LEU  53   3.335 -13.412  -7.697
  410   HD23  LEU  53          2HD2      LEU  53   2.104 -14.338  -8.573
  411    H    ASN  54           H        ASN  54   1.516 -16.223  -3.005
  412    HA   ASN  54           HA       ASN  54  -0.830 -17.322  -4.120
  413    HB2  ASN  54           1HB      ASN  54   1.215 -18.429  -2.951
  414    HB3  ASN  54           2HB      ASN  54   0.340 -18.165  -1.441
  415   HD21  ASN  54          1HD2      ASN  54   0.303 -19.849  -4.558
  416   HD22  ASN  54          2HD2      ASN  54  -0.867 -21.062  -4.055
  417    H    VAL  55           H        VAL  55  -0.463 -15.584  -1.005
  418    HA   VAL  55           HA       VAL  55  -3.304 -15.786  -0.324
  419    HB   VAL  55           HB       VAL  55  -1.079 -14.066   0.795
  420   HG11  VAL  55          1HG1      VAL  55  -3.915 -14.473   1.840
  421   HG12  VAL  55          2HG1      VAL  55  -2.589 -13.718   2.749
  422   HG13  VAL  55          3HG1      VAL  55  -3.199 -12.939   1.291
  423   HG21  VAL  55          3HG2      VAL  55  -0.832 -16.512   1.196
  424   HG22  VAL  55          1HG2      VAL  55  -1.170 -15.634   2.688
  425   HG23  VAL  55          2HG2      VAL  55  -2.464 -16.556   1.888
  426    H    HIS  56           H        HIS  56  -1.294 -13.311  -1.954
  427    HA   HIS  56           HA       HIS  56  -3.335 -11.316  -2.177
  428    HB2  HIS  56           1HB      HIS  56  -0.977 -10.834  -2.555
  429    HB3  HIS  56           2HB      HIS  56  -0.921 -11.977  -3.897
  430    HD1  HIS  56           1HD      HIS  56  -2.295  -8.489  -3.098
  431    HD2  HIS  56           2HD      HIS  56  -1.855 -11.227  -6.257
  432    HE1  HIS  56           1HE      HIS  56  -3.023  -7.255  -5.185
  433    H    LEU  57           H        LEU  57  -2.628 -14.077  -4.371
  434    HA   LEU  57           HA       LEU  57  -4.522 -13.371  -6.388
  435    HB2  LEU  57           1HB      LEU  57  -3.424 -16.008  -5.431
  436    HB3  LEU  57           2HB      LEU  57  -4.445 -15.890  -6.856
  437    HG   LEU  57           HG       LEU  57  -1.854 -14.301  -6.625
  438   HD11  LEU  57          1HD1      LEU  57  -1.379 -16.681  -6.315
  439   HD12  LEU  57          2HD1      LEU  57  -0.800 -16.126  -7.899
  440   HD13  LEU  57          3HD1      LEU  57  -2.304 -17.080  -7.778
  441   HD21  LEU  57          3HD2      LEU  57  -3.515 -15.207  -9.012
  442   HD22  LEU  57          1HD2      LEU  57  -1.973 -14.327  -9.079
  443   HD23  LEU  57          2HD2      LEU  57  -3.397 -13.543  -8.385
  444    H    ARG  58           H        ARG  58  -5.040 -14.990  -3.286
  445    HA   ARG  58           HA       ARG  58  -7.786 -15.774  -3.689
  446    HB2  ARG  58           1HB      ARG  58  -6.367 -14.942  -1.128
  447    HB3  ARG  58           2HB      ARG  58  -7.962 -15.654  -1.198
  448    HG2  ARG  58           1HG      ARG  58  -7.143 -17.734  -2.062
  449    HG3  ARG  58           2HG      ARG  58  -5.506 -17.086  -2.277
  450    HD2  ARG  58           1HD      ARG  58  -5.182 -16.847   0.110
  451    HD3  ARG  58           2HD      ARG  58  -6.893 -17.118   0.428
  452    HE   ARG  58           HE       ARG  58  -6.560 -19.373   0.432
  453   HH11  ARG  58          2HH1      ARG  58  -3.822 -18.089  -1.381
  454   HH12  ARG  58          1HH1      ARG  58  -2.944 -19.582  -1.242
  455   HH21  ARG  58          2HH2      ARG  58  -5.390 -21.265   0.467
  456   HH22  ARG  58          1HH2      ARG  58  -3.820 -21.321  -0.286
  457    H    LYS  59           H        LYS  59  -6.492 -12.552  -3.368
  458    HA   LYS  59           HA       LYS  59  -9.059 -11.313  -2.633
  459    HB2  LYS  59           1HB      LYS  59  -6.601 -10.001  -3.868
  460    HB3  LYS  59           2HB      LYS  59  -7.974  -9.205  -3.107
  461    HG2  LYS  59           1HG      LYS  59  -7.390 -10.403  -0.948
  462    HG3  LYS  59           2HG      LYS  59  -5.898 -10.962  -1.734
  463    HD2  LYS  59           1HD      LYS  59  -5.201  -8.621  -2.111
  464    HD3  LYS  59           2HD      LYS  59  -6.709  -8.047  -1.360
  465    HE2  LYS  59           1HE      LYS  59  -6.084  -9.262   0.743
  466    HE3  LYS  59           2HE      LYS  59  -4.546  -9.721   0.002
  467    HZ1  LYS  59           3HZ      LYS  59  -4.314  -7.728   1.373
  468    HZ2  LYS  59           1HZ      LYS  59  -5.439  -6.928   0.510
  469    HZ3  LYS  59           2HZ      LYS  59  -4.016  -7.335  -0.181
  470    H    HIS  60           H        HIS  60  -7.578 -12.405  -5.577
  471    HA   HIS  60           HA       HIS  60  -9.438 -10.896  -7.319
  472    HB2  HIS  60           1HB      HIS  60  -7.164 -12.802  -7.962
  473    HB3  HIS  60           2HB      HIS  60  -8.156 -11.945  -9.141
  474    HD1  HIS  60           1HD      HIS  60  -8.108  -9.070  -8.600
  475    HD2  HIS  60           2HD      HIS  60  -4.907 -11.590  -7.542
  476    HE1  HIS  60           1HE      HIS  60  -6.093  -7.554  -8.379
  477    H    THR  61           H        THR  61 -11.323 -11.946  -6.301
  478    HA   THR  61           HA       THR  61 -12.028 -14.497  -7.699
  479    HB   THR  61           HB       THR  61 -13.531 -15.009  -5.779
  480    HG1  THR  61           1HG      THR  61 -13.082 -13.974  -3.820
  481   HG21  THR  61          3HG2      THR  61 -10.574 -14.815  -5.061
  482   HG22  THR  61          1HG2      THR  61 -11.334 -16.118  -5.999
  483   HG23  THR  61          2HG2      THR  61 -11.778 -15.877  -4.300
  484    H    GLY  62           H        GLY  62 -14.158 -14.780  -8.369
  485    HA2  GLY  62           1HA      GLY  62 -16.431 -13.336  -8.113
  486    HA3  GLY  62           2HA      GLY  62 -15.516 -12.321  -9.229
  487    H    GLU  63           H        GLU  63 -17.857 -13.229 -10.127
  488    HA   GLU  63           HA       GLU  63 -17.722 -15.704 -11.607
  489    HB2  GLU  63           1HB      GLU  63 -19.578 -13.294 -11.721
  490    HB3  GLU  63           2HB      GLU  63 -19.774 -14.709 -12.750
  491    HG2  GLU  63           1HG      GLU  63 -19.816 -14.760  -9.712
  492    HG3  GLU  63           2HG      GLU  63 -21.238 -14.744 -10.752
  493    H    LYS  64           H        LYS  64 -17.958 -15.811 -13.845
  494    HA   LYS  64           HA       LYS  64 -15.849 -14.172 -15.199
  495    HB2  LYS  64           1HB      LYS  64 -16.588 -17.074 -15.719
  496    HB3  LYS  64           2HB      LYS  64 -15.283 -16.179 -16.490
  497    HG2  LYS  64           1HG      LYS  64 -15.458 -16.961 -13.563
  498    HG3  LYS  64           2HG      LYS  64 -14.404 -17.656 -14.799
  499    HD2  LYS  64           1HD      LYS  64 -13.294 -15.416 -15.068
  500    HD3  LYS  64           2HD      LYS  64 -14.249 -14.809 -13.708
  501    HE2  LYS  64           1HE      LYS  64 -12.264 -17.118 -13.635
  502    HE3  LYS  64           2HE      LYS  64 -11.978 -15.485 -13.026
  503    HZ1  LYS  64           3HZ      LYS  64 -13.929 -17.440 -11.937
  504    HZ2  LYS  64           1HZ      LYS  64 -13.892 -15.884 -11.453
  505    HZ3  LYS  64           2HZ      LYS  64 -12.602 -16.867 -11.187
  506    H    PHE  65           H        PHE  65 -15.821 -13.711 -17.251
  507    HA   PHE  65           HA       PHE  65 -18.194 -14.170 -19.005
  508    HB2  PHE  65           1HB      PHE  65 -16.344 -11.750 -19.008
  509    HB3  PHE  65           2HB      PHE  65 -17.748 -12.017 -20.030
  510    HD1  PHE  65           2HD      PHE  65 -20.070 -11.935 -19.049
  511    HD2  PHE  65           1HD      PHE  65 -16.568 -10.903 -16.759
  512    HE1  PHE  65           2HE      PHE  65 -21.501 -10.790 -17.372
  513    HE2  PHE  65           1HE      PHE  65 -17.998  -9.731 -15.097
  514    HZ   PHE  65           HZ       PHE  65 -20.467  -9.672 -15.403
  515    H    ALA  66           H        ALA  66 -17.618 -14.860 -21.143
  516    HA   ALA  66           HA       ALA  66 -14.746 -15.645 -21.471
  517    HB1  ALA  66           1HB      ALA  66 -16.171 -17.520 -20.767
  518    HB2  ALA  66           2HB      ALA  66 -17.229 -17.244 -22.171
  519    HB3  ALA  66           3HB      ALA  66 -15.541 -17.745 -22.411
  520    H    CYS  67           H        CYS  67 -13.785 -15.548 -23.408
  521    HA   CYS  67           HA       CYS  67 -14.697 -13.667 -25.342
  522    HB2  CYS  67           1HB      CYS  67 -12.374 -14.126 -24.691
  523    HB3  CYS  67           2HB      CYS  67 -12.462 -15.726 -25.434
  524    H    ASP  68           H        ASP  68 -15.336 -13.876 -27.428
  525    HA   ASP  68           HA       ASP  68 -16.871 -16.308 -28.134
  526    HB2  ASP  68           1HB      ASP  68 -17.843 -13.986 -28.240
  527    HB3  ASP  68           2HB      ASP  68 -16.723 -13.625 -29.551
  528    H    TYR  69           H        TYR  69 -13.761 -15.130 -28.690
  529    HA   TYR  69           HA       TYR  69 -13.478 -16.471 -31.363
  530    HB2  TYR  69           1HB      TYR  69 -12.052 -14.092 -30.184
  531    HB3  TYR  69           2HB      TYR  69 -11.693 -14.807 -31.748
  532    HD1  TYR  69           1HD      TYR  69 -13.233 -14.536 -33.655
  533    HD2  TYR  69           2HD      TYR  69 -14.006 -12.674 -29.840
  534    HE1  TYR  69           1HE      TYR  69 -14.885 -13.011 -34.729
  535    HE2  TYR  69           2HE      TYR  69 -15.673 -11.166 -30.914
  536    HH   TYR  69           HH       TYR  69 -16.705 -10.548 -32.861
  537    H    CYS  70           H        CYS  70 -12.196 -16.388 -28.089
  538    HA   CYS  70           HA       CYS  70 -10.388 -18.605 -28.750
  539    HB2  CYS  70           1HB      CYS  70  -8.440 -17.695 -27.756
  540    HB3  CYS  70           2HB      CYS  70  -8.996 -16.600 -29.005
  541    H    SER  71           H        SER  71  -9.168 -19.008 -26.361
  542    HA   SER  71           HA       SER  71 -11.347 -20.042 -24.696
  543    HB2  SER  71           1HB      SER  71  -9.515 -21.254 -23.549
  544    HB3  SER  71           2HB      SER  71  -9.549 -21.524 -25.296
  545    HG   SER  71           HG       SER  71  -7.423 -21.098 -24.516
  546    H    PHE  72           H        PHE  72  -9.925 -17.058 -24.672
  547    HA   PHE  72           HA       PHE  72  -9.073 -16.659 -22.009
  548    HB2  PHE  72           1HB      PHE  72  -8.538 -15.151 -23.822
  549    HB3  PHE  72           2HB      PHE  72 -10.234 -14.781 -24.075
  550    HD1  PHE  72           1HD      PHE  72  -7.564 -14.506 -21.424
  551    HD2  PHE  72           2HD      PHE  72 -11.160 -12.858 -23.138
  552    HE1  PHE  72           1HE      PHE  72  -7.396 -12.543 -19.908
  553    HE2  PHE  72           2HE      PHE  72 -10.964 -10.881 -21.654
  554    HZ   PHE  72           HZ       PHE  72  -9.109 -10.735 -20.012
  555    H    THR  73           H        THR  73  -9.979 -16.067 -20.136
  556    HA   THR  73           HA       THR  73 -12.870 -15.390 -19.983
  557    HB   THR  73           HB       THR  73 -12.830 -16.304 -17.635
  558    HG1  THR  73           1HG      THR  73 -11.285 -17.936 -17.248
  559   HG21  THR  73          3HG2      THR  73 -13.961 -17.498 -19.466
  560   HG22  THR  73          1HG2      THR  73 -13.264 -18.603 -18.269
  561   HG23  THR  73          2HG2      THR  73 -12.452 -18.364 -19.840
  562    H    CYS  74           H        CYS  74 -13.466 -13.824 -18.550
  563    HA   CYS  74           HA       CYS  74 -11.321 -12.150 -17.308
  564    HB2  CYS  74           1HB      CYS  74 -12.047 -11.442 -19.653
  565    HB3  CYS  74           2HB      CYS  74 -13.655 -11.140 -18.981
  566    HG   CYS  74           HG       CYS  74 -12.858  -8.836 -18.928
  567    H    LEU  75           H        LEU  75 -11.999 -10.784 -15.623
  568    HA   LEU  75           HA       LEU  75 -14.350 -11.645 -14.058
  569    HB2  LEU  75           1HB      LEU  75 -11.959  -9.833 -13.561
  570    HB3  LEU  75           2HB      LEU  75 -13.322  -9.839 -12.472
  571    HG   LEU  75           HG       LEU  75 -11.477 -11.176 -11.644
  572   HD11  LEU  75          1HD1      LEU  75 -13.904 -12.897 -12.263
  573   HD12  LEU  75          2HD1      LEU  75 -13.779 -11.705 -10.955
  574   HD13  LEU  75          3HD1      LEU  75 -12.734 -13.133 -10.949
  575   HD21  LEU  75          3HD2      LEU  75 -10.840 -13.312 -12.546
  576   HD22  LEU  75          1HD2      LEU  75 -10.601 -12.075 -13.787
  577   HD23  LEU  75          2HD2      LEU  75 -12.006 -13.166 -13.879
  578    H    SER  76           H        SER  76 -13.865  -9.358 -16.500
  579    HA   SER  76           HA       SER  76 -16.342  -7.892 -15.753
  580    HB2  SER  76           1HB      SER  76 -14.616  -6.426 -14.966
  581    HB3  SER  76           2HB      SER  76 -13.685  -6.612 -16.462
  582    HG   SER  76           HG       SER  76 -15.061  -4.659 -16.244
  583    H    LYS  77           H        LYS  77 -17.701  -7.654 -17.395
  584    HA   LYS  77           HA       LYS  77 -17.158  -8.586 -20.060
  585    HB2  LYS  77           1HB      LYS  77 -19.374  -7.763 -20.612
  586    HB3  LYS  77           2HB      LYS  77 -19.375  -8.685 -19.110
  587    HG2  LYS  77           1HG      LYS  77 -19.493  -6.585 -17.791
  588    HG3  LYS  77           2HG      LYS  77 -19.388  -5.634 -19.277
  589    HD2  LYS  77           1HD      LYS  77 -21.674  -5.684 -18.545
  590    HD3  LYS  77           2HD      LYS  77 -21.534  -6.585 -20.060
  591    HE2  LYS  77           1HE      LYS  77 -21.539  -8.721 -18.797
  592    HE3  LYS  77           2HE      LYS  77 -21.610  -7.831 -17.270
  593    HZ1  LYS  77           3HZ      LYS  77 -23.708  -7.767 -19.379
  594    HZ2  LYS  77           1HZ      LYS  77 -23.775  -6.945 -17.969
  595    HZ3  LYS  77           2HZ      LYS  77 -23.818  -8.574 -17.966
  596    H    GLY  78           H        GLY  78 -16.739  -5.443 -18.572
  597    HA2  GLY  78           1HA      GLY  78 -16.548  -3.870 -21.011
  598    HA3  GLY  78           2HA      GLY  78 -15.969  -3.422 -19.399
  599    H    HIS  79           H        HIS  79 -14.100  -5.354 -18.808
  600    HA   HIS  79           HA       HIS  79 -11.870  -4.681 -20.532
  601    HB2  HIS  79           1HB      HIS  79 -11.636  -5.026 -18.119
  602    HB3  HIS  79           2HB      HIS  79 -12.100  -6.716 -18.293
  603    HD1  HIS  79           1HD      HIS  79 -10.070  -8.334 -18.641
  604    HD2  HIS  79           2HD      HIS  79  -9.292  -4.325 -19.652
  605    HE1  HIS  79           1HE      HIS  79  -7.596  -8.221 -19.266
  606    H    LEU  80           H        LEU  80 -14.048  -7.521 -20.364
  607    HA   LEU  80           HA       LEU  80 -12.635  -9.091 -22.293
  608    HB2  LEU  80           1HB      LEU  80 -14.427  -9.974 -20.842
  609    HB3  LEU  80           2HB      LEU  80 -15.604  -8.953 -21.668
  610    HG   LEU  80           HG       LEU  80 -15.215 -10.176 -23.791
  611   HD11  LEU  80          1HD1      LEU  80 -13.956 -12.318 -23.729
  612   HD12  LEU  80          2HD1      LEU  80 -13.381 -11.934 -22.095
  613   HD13  LEU  80          3HD1      LEU  80 -12.895 -10.938 -23.494
  614   HD21  LEU  80          3HD2      LEU  80 -16.338 -12.208 -23.162
  615   HD22  LEU  80          1HD2      LEU  80 -16.958 -10.891 -22.161
  616   HD23  LEU  80          2HD2      LEU  80 -15.788 -12.048 -21.478
  617    H    LYS  81           H        LYS  81 -15.133  -6.517 -22.743
  618    HA   LYS  81           HA       LYS  81 -15.215  -6.683 -25.601
  619    HB2  LYS  81           1HB      LYS  81 -16.835  -5.459 -24.151
  620    HB3  LYS  81           2HB      LYS  81 -15.614  -4.211 -23.863
  621    HG2  LYS  81           1HG      LYS  81 -15.517  -3.742 -26.303
  622    HG3  LYS  81           2HG      LYS  81 -16.736  -4.987 -26.597
  623    HD2  LYS  81           1HD      LYS  81 -17.144  -2.468 -24.920
  624    HD3  LYS  81           2HD      LYS  81 -17.636  -2.667 -26.608
  625    HE2  LYS  81           1HE      LYS  81 -19.108  -4.574 -25.945
  626    HE3  LYS  81           2HE      LYS  81 -18.666  -4.313 -24.252
  627    HZ1  LYS  81           3HZ      LYS  81 -19.638  -2.079 -24.415
  628    HZ2  LYS  81           1HZ      LYS  81 -20.755  -3.204 -24.799
  629    HZ3  LYS  81           2HZ      LYS  81 -20.050  -2.325 -25.977
  630    H    VAL  82           H        VAL  82 -13.019  -4.829 -23.466
  631    HA   VAL  82           HA       VAL  82 -11.460  -3.652 -25.576
  632    HB   VAL  82           HB       VAL  82 -10.705  -4.321 -22.707
  633   HG11  VAL  82          1HG1      VAL  82  -9.224  -2.625 -24.757
  634   HG12  VAL  82          2HG1      VAL  82  -8.872  -2.660 -23.014
  635   HG13  VAL  82          3HG1      VAL  82  -8.625  -4.114 -23.981
  636   HG21  VAL  82          3HG2      VAL  82 -11.038  -1.910 -22.347
  637   HG22  VAL  82          1HG2      VAL  82 -11.471  -1.692 -24.058
  638   HG23  VAL  82          2HG2      VAL  82 -12.521  -2.627 -22.981
  639    H    HIS  83           H        HIS  83 -10.995  -6.802 -23.852
  640    HA   HIS  83           HA       HIS  83  -8.726  -7.673 -25.335
  641    HB2  HIS  83           1HB      HIS  83  -9.386  -8.916 -23.412
  642    HB3  HIS  83           2HB      HIS  83 -11.016  -9.162 -24.011
  643    HD1  HIS  83           1HD      HIS  83  -7.515 -10.624 -24.407
  644    HD2  HIS  83           2HD      HIS  83 -11.447 -11.120 -25.793
  645    HE1  HIS  83           1HE      HIS  83  -7.539 -12.844 -25.634
  646    H    ILE  84           H        ILE  84 -12.230  -8.108 -26.135
  647    HA   ILE  84           HA       ILE  84 -11.731  -9.494 -28.579
  648    HB   ILE  84           HB       ILE  84 -14.141  -7.952 -27.588
  649   HG12  ILE  84          1HG1      ILE  84 -13.599 -10.943 -27.976
  650   HG13  ILE  84          2HG1      ILE  84 -13.427 -10.100 -26.445
  651   HG21  ILE  84          1HG2      ILE  84 -14.225  -7.860 -30.046
  652   HG22  ILE  84          2HG2      ILE  84 -13.873  -9.600 -30.149
  653   HG23  ILE  84          3HG2      ILE  84 -15.409  -9.012 -29.469
  654   HD11  ILE  84          3HD1      ILE  84 -15.856  -9.505 -26.511
  655   HD12  ILE  84          1HD1      ILE  84 -16.020 -10.547 -27.951
  656   HD13  ILE  84          2HD1      ILE  84 -15.512 -11.244 -26.409
  657    H    GLU  85           H        GLU  85 -12.371  -5.985 -28.097
  658    HA   GLU  85           HA       GLU  85 -12.136  -5.229 -30.819
  659    HB2  GLU  85           1HB      GLU  85 -11.579  -3.753 -28.219
  660    HB3  GLU  85           2HB      GLU  85 -11.487  -2.963 -29.788
  661    HG2  GLU  85           1HG      GLU  85 -13.997  -4.386 -28.809
  662    HG3  GLU  85           2HG      GLU  85 -13.666  -2.682 -28.526
  663    H    ARG  86           H        ARG  86  -9.527  -5.555 -28.369
  664    HA   ARG  86           HA       ARG  86  -7.501  -4.523 -30.235
  665    HB2  ARG  86           1HB      ARG  86  -7.319  -5.631 -27.410
  666    HB3  ARG  86           2HB      ARG  86  -5.941  -5.028 -28.337
  667    HG2  ARG  86           1HG      ARG  86  -7.026  -2.811 -28.568
  668    HG3  ARG  86           2HG      ARG  86  -8.398  -3.376 -27.597
  669    HD2  ARG  86           1HD      ARG  86  -6.876  -3.829 -25.705
  670    HD3  ARG  86           2HD      ARG  86  -5.498  -3.268 -26.676
  671    HE   ARG  86           HE       ARG  86  -7.377  -1.178 -26.700
  672   HH11  ARG  86          2HH1      ARG  86  -5.418  -2.746 -24.256
  673   HH12  ARG  86          1HH1      ARG  86  -5.377  -1.327 -23.245
  674   HH21  ARG  86          2HH2      ARG  86  -7.287   0.596 -25.363
  675   HH22  ARG  86          1HH2      ARG  86  -6.410   0.514 -23.866
  676    H    VAL  87           H        VAL  87  -8.354  -7.772 -29.044
  677    HA   VAL  87           HA       VAL  87  -5.954  -8.900 -30.364
  678    HB   VAL  87           HB       VAL  87  -8.042 -10.282 -28.647
  679   HG11  VAL  87          1HG1      VAL  87  -6.827 -11.900 -30.036
  680   HG12  VAL  87          2HG1      VAL  87  -5.276 -11.184 -29.551
  681   HG13  VAL  87          3HG1      VAL  87  -6.299 -12.018 -28.361
  682   HG21  VAL  87          3HG2      VAL  87  -6.809  -8.563 -27.344
  683   HG22  VAL  87          1HG2      VAL  87  -6.286 -10.180 -26.879
  684   HG23  VAL  87          2HG2      VAL  87  -5.267  -9.197 -27.953
  685    H    HIS  88           H        HIS  88  -9.487  -8.977 -30.834
  686    HA   HIS  88           HA       HIS  88  -9.089 -10.862 -33.141
  687    HB2  HIS  88           1HB      HIS  88 -11.527 -10.507 -31.375
  688    HB3  HIS  88           2HB      HIS  88 -11.295 -11.711 -32.637
  689    HD1  HIS  88           1HD      HIS  88  -9.007 -13.421 -32.044
  690    HD2  HIS  88           2HD      HIS  88 -11.065 -11.388 -29.005
  691    HE1  HIS  88           1HE      HIS  88  -8.513 -14.694 -29.897
  692    H    LYS  89           H        LYS  89 -10.970  -7.998 -32.115
  693    HA   LYS  89           HA       LYS  89 -12.134  -7.727 -34.794
  694    HB2  LYS  89           1HB      LYS  89 -12.814  -6.862 -32.071
  695    HB3  LYS  89           2HB      LYS  89 -13.061  -5.573 -33.240
  696    HG2  LYS  89           1HG      LYS  89 -14.126  -8.399 -33.580
  697    HG3  LYS  89           2HG      LYS  89 -15.039  -7.102 -32.804
  698    HD2  LYS  89           1HD      LYS  89 -15.047  -5.761 -34.821
  699    HD3  LYS  89           2HD      LYS  89 -13.973  -6.892 -35.659
  700    HE2  LYS  89           1HE      LYS  89 -15.663  -8.673 -35.504
  701    HE3  LYS  89           2HE      LYS  89 -16.759  -7.589 -34.637
  702    HZ1  LYS  89           3HZ      LYS  89 -15.739  -7.048 -37.386
  703    HZ2  LYS  89           1HZ      LYS  89 -16.884  -6.196 -36.592
  704    HZ3  LYS  89           2HZ      LYS  89 -17.201  -7.726 -37.070
  705    H    LYS  90           H        LYS  90  -9.201  -6.877 -33.894
  706    HA   LYS  90           HA       LYS  90  -8.787  -4.228 -34.812
  707    HB2  LYS  90           1HB      LYS  90  -7.154  -5.754 -33.676
  708    HB3  LYS  90           2HB      LYS  90  -6.973  -6.654 -35.188
  709    HG2  LYS  90           1HG      LYS  90  -6.135  -4.580 -36.299
  710    HG3  LYS  90           2HG      LYS  90  -6.316  -3.696 -34.779
  711    HD2  LYS  90           1HD      LYS  90  -4.478  -6.088 -35.254
  712    HD3  LYS  90           2HD      LYS  90  -3.981  -4.389 -35.257
  713    HE2  LYS  90           1HE      LYS  90  -4.734  -4.174 -32.885
  714    HE3  LYS  90           2HE      LYS  90  -5.170  -5.887 -32.882
  715    HZ1  LYS  90           3HZ      LYS  90  -2.833  -6.419 -33.319
  716    HZ2  LYS  90           1HZ      LYS  90  -2.970  -5.555 -31.943
  717    HZ3  LYS  90           2HZ      LYS  90  -2.426  -4.835 -33.304
  718    H    ILE  91           H        ILE  91  -9.438  -7.117 -36.670
  719    HA   ILE  91           HA       ILE  91  -8.839  -5.959 -39.250
  720    HB   ILE  91           HB       ILE  91  -8.650  -8.378 -38.630
  721   HG12  ILE  91          1HG1      ILE  91  -9.408  -9.382 -40.689
  722   HG13  ILE  91          2HG1      ILE  91 -10.441  -8.011 -41.059
  723   HG21  ILE  91          1HG2      ILE  91 -10.615  -9.823 -38.619
  724   HG22  ILE  91          2HG2      ILE  91 -10.780  -8.596 -37.361
  725   HG23  ILE  91          3HG2      ILE  91 -11.689  -8.437 -38.877
  726   HD11  ILE  91          3HD1      ILE  91  -8.294  -8.026 -42.332
  727   HD12  ILE  91          1HD1      ILE  91  -8.467  -6.564 -41.352
  728   HD13  ILE  91          2HD1      ILE  91  -7.399  -7.884 -40.806
  729    H    LYS  92           H        LYS  92 -11.384  -5.421 -37.220
  730    HA   LYS  92           HA       LYS  92 -13.497  -4.632 -37.300
  731    HB2  LYS  92           1HB      LYS  92 -12.404  -3.164 -39.713
  732    HB3  LYS  92           2HB      LYS  92 -13.886  -2.748 -38.842
  733    HG2  LYS  92           1HG      LYS  92 -12.571  -2.437 -36.748
  734    HG3  LYS  92           2HG      LYS  92 -11.077  -2.748 -37.640
  735    HD2  LYS  92           1HD      LYS  92 -13.027  -0.473 -38.209
  736    HD3  LYS  92           2HD      LYS  92 -11.523  -0.336 -37.285
  737    HE2  LYS  92           1HE      LYS  92 -10.227  -1.077 -39.281
  738    HE3  LYS  92           2HE      LYS  92 -11.725  -1.165 -40.215
  739    HZ1  LYS  92           3HZ      LYS  92 -10.633   1.311 -38.989
  740    HZ2  LYS  92           1HZ      LYS  92 -12.021   1.227 -39.849
  741    HZ3  LYS  92           2HZ      LYS  92 -10.588   0.944 -40.577
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1  -4.802  33.042 -13.214
    2    H2   GLY   1           2H       GLY   1  -5.268  32.663 -14.739
    3    H3   GLY   1           3H       GLY   1  -4.755  31.486 -13.721
    4    HA2  GLY   1           1HA      GLY   1  -7.205  33.096 -13.392
    5    HA3  GLY   1           2HA      GLY   1  -7.148  31.405 -13.921
    6    H    SER   2           H        SER   2  -8.428  30.703 -12.168
    7    HA   SER   2           HA       SER   2  -7.649  31.152  -9.394
    8    HB2  SER   2           1HB      SER   2  -9.540  29.605  -8.925
    9    HB3  SER   2           2HB      SER   2  -9.976  31.001  -9.921
   10    HG   SER   2           HG       SER   2 -10.849  29.029 -10.736
   11    H    SER   3           H        SER   3  -7.319  29.374  -7.862
   12    HA   SER   3           HA       SER   3  -5.067  27.770  -8.522
   13    HB2  SER   3           1HB      SER   3  -6.940  27.537  -6.137
   14    HB3  SER   3           2HB      SER   3  -5.300  26.869  -6.260
   15    HG   SER   3           HG       SER   3  -5.335  28.891  -5.160
   16    H    GLY   4           H        GLY   4  -4.769  25.503  -8.510
   17    HA2  GLY   4           1HA      GLY   4  -6.909  23.565  -8.549
   18    HA3  GLY   4           2HA      GLY   4  -6.396  23.979 -10.185
   19    H    SER   5           H        SER   5  -5.868  21.642 -10.206
   20    HA   SER   5           HA       SER   5  -3.700  20.570  -8.633
   21    HB2  SER   5           1HB      SER   5  -3.822  18.636 -10.054
   22    HB3  SER   5           2HB      SER   5  -5.458  19.149  -9.623
   23    HG   SER   5           HG       SER   5  -5.778  19.899 -11.669
   24    H    SER   6           H        SER   6  -1.632  19.822  -9.371
   25    HA   SER   6           HA       SER   6  -0.096  21.818 -10.679
   26    HB2  SER   6           1HB      SER   6   0.666  18.937 -10.074
   27    HB3  SER   6           2HB      SER   6   1.780  20.276 -10.417
   28    HG   SER   6           HG       SER   6   1.511  19.905  -8.151
   29    H    GLY   7           H        GLY   7   0.784  22.018 -12.678
   30    HA2  GLY   7           1HA      GLY   7  -0.335  20.525 -14.920
   31    HA3  GLY   7           2HA      GLY   7   0.775  21.896 -14.992
   32    H    LYS   8           H        LYS   8   1.500  18.980 -13.147
   33    HA   LYS   8           HA       LYS   8   4.055  18.657 -14.545
   34    HB2  LYS   8           1HB      LYS   8   2.734  17.229 -12.195
   35    HB3  LYS   8           2HB      LYS   8   4.312  16.760 -12.852
   36    HG2  LYS   8           1HG      LYS   8   5.220  18.985 -12.412
   37    HG3  LYS   8           2HG      LYS   8   3.662  19.515 -11.743
   38    HD2  LYS   8           1HD      LYS   8   3.847  17.792  -9.961
   39    HD3  LYS   8           2HD      LYS   8   5.405  17.266 -10.639
   40    HE2  LYS   8           1HE      LYS   8   6.325  19.550 -10.280
   41    HE3  LYS   8           2HE      LYS   8   4.782  20.065  -9.587
   42    HZ1  LYS   8           3HZ      LYS   8   6.366  19.455  -7.854
   43    HZ2  LYS   8           1HZ      LYS   8   6.542  17.950  -8.455
   44    HZ3  LYS   8           2HZ      LYS   8   5.111  18.416  -7.813
   45    H    ILE   9           H        ILE   9   4.888  16.697 -15.272
   46    HA   ILE   9           HA       ILE   9   3.002  14.748 -16.455
   47    HB   ILE   9           HB       ILE   9   5.173  16.039 -18.142
   48   HG12  ILE   9          1HG1      ILE   9   2.188  16.699 -18.175
   49   HG13  ILE   9          2HG1      ILE   9   3.472  17.787 -17.631
   50   HG21  ILE   9          1HG2      ILE   9   2.800  14.282 -18.838
   51   HG22  ILE   9          2HG2      ILE   9   4.015  14.896 -19.984
   52   HG23  ILE   9          3HG2      ILE   9   4.502  13.755 -18.753
   53   HD11  ILE   9          3HD1      ILE   9   3.025  16.840 -20.460
   54   HD12  ILE   9          1HD1      ILE   9   2.881  18.477 -19.795
   55   HD13  ILE   9          2HD1      ILE   9   4.481  17.712 -19.901
   56    H    PHE  10           H        PHE  10   3.768  12.757 -16.450
   57    HA   PHE  10           HA       PHE  10   6.612  12.157 -15.725
   58    HB2  PHE  10           1HB      PHE  10   4.051  11.091 -14.459
   59    HB3  PHE  10           2HB      PHE  10   5.641  10.408 -14.195
   60    HD1  PHE  10           1HD      PHE  10   3.456  13.321 -13.471
   61    HD2  PHE  10           2HD      PHE  10   7.323  11.521 -12.820
   62    HE1  PHE  10           1HE      PHE  10   3.833  14.827 -11.542
   63    HE2  PHE  10           2HE      PHE  10   7.722  13.073 -10.927
   64    HZ   PHE  10           HZ       PHE  10   5.977  14.720 -10.277
   65    H    THR  11           H        THR  11   7.487  10.493 -16.939
   66    HA   THR  11           HA       THR  11   5.651   9.037 -18.799
   67    HB   THR  11           HB       THR  11   8.359  10.234 -19.440
   68    HG1  THR  11           1HG      THR  11   7.170  11.736 -20.586
   69   HG21  THR  11          3HG2      THR  11   7.876   8.327 -20.892
   70   HG22  THR  11          1HG2      THR  11   7.660   9.824 -21.802
   71   HG23  THR  11          2HG2      THR  11   6.237   8.940 -21.208
   72    H    CYS  12           H        CYS  12   5.954   6.941 -19.153
   73    HA   CYS  12           HA       CYS  12   7.837   5.371 -17.586
   74    HB2  CYS  12           1HB      CYS  12   5.540   4.666 -18.043
   75    HB3  CYS  12           2HB      CYS  12   5.873   4.656 -19.788
   76    H    GLU  13           H        GLU  13   9.802   4.696 -18.154
   77    HA   GLU  13           HA       GLU  13  10.947   5.469 -20.740
   78    HB2  GLU  13           1HB      GLU  13  13.061   4.816 -19.828
   79    HB3  GLU  13           2HB      GLU  13  12.189   5.794 -18.651
   80    HG2  GLU  13           1HG      GLU  13  11.536   3.711 -17.428
   81    HG3  GLU  13           2HG      GLU  13  12.453   2.755 -18.598
   82    H    TYR  14           H        TYR  14   9.233   2.741 -19.749
   83    HA   TYR  14           HA       TYR  14  10.744   0.852 -21.495
   84    HB2  TYR  14           1HB      TYR  14   8.580   0.391 -19.442
   85    HB3  TYR  14           2HB      TYR  14   9.407  -0.862 -20.345
   86    HD1  TYR  14           2HD      TYR  14  11.828  -1.340 -19.936
   87    HD2  TYR  14           1HD      TYR  14   9.581   1.418 -17.493
   88    HE1  TYR  14           2HE      TYR  14  13.547  -1.527 -18.137
   89    HE2  TYR  14           1HE      TYR  14  11.302   1.228 -15.700
   90    HH   TYR  14           HH       TYR  14  13.278   0.273 -15.049
   91    H    CYS  15           H        CYS  15   7.535   2.369 -21.254
   92    HA   CYS  15           HA       CYS  15   6.854   1.238 -23.921
   93    HB2  CYS  15           1HB      CYS  15   4.614   0.736 -23.251
   94    HB3  CYS  15           2HB      CYS  15   5.764  -0.137 -22.237
   95    H    ASN  16           H        ASN  16   7.442   4.052 -22.411
   96    HA   ASN  16           HA       ASN  16   7.055   6.202 -22.773
   97    HB2  ASN  16           1HB      ASN  16   7.791   5.371 -25.031
   98    HB3  ASN  16           2HB      ASN  16   6.101   5.423 -25.538
   99   HD21  ASN  16          1HD2      ASN  16   8.585   7.542 -23.960
  100   HD22  ASN  16          2HD2      ASN  16   8.094   8.973 -24.855
  101    H    LYS  17           H        LYS  17   4.633   4.574 -21.766
  102    HA   LYS  17           HA       LYS  17   2.330   6.244 -22.289
  103    HB2  LYS  17           1HB      LYS  17   3.119   4.432 -19.979
  104    HB3  LYS  17           2HB      LYS  17   1.648   5.415 -19.938
  105    HG2  LYS  17           1HG      LYS  17   0.854   4.350 -22.030
  106    HG3  LYS  17           2HG      LYS  17   2.292   3.312 -22.026
  107    HD2  LYS  17           1HD      LYS  17   1.613   2.567 -19.681
  108    HD3  LYS  17           2HD      LYS  17   0.100   3.451 -19.887
  109    HE2  LYS  17           1HE      LYS  17   1.096   1.136 -21.609
  110    HE3  LYS  17           2HE      LYS  17  -0.090   1.020 -20.302
  111    HZ1  LYS  17           3HZ      LYS  17  -0.469   2.577 -22.806
  112    HZ2  LYS  17           1HZ      LYS  17  -1.554   2.499 -21.583
  113    HZ3  LYS  17           2HZ      LYS  17  -1.197   1.165 -22.449
  114    H    VAL  18           H        VAL  18   1.447   7.847 -21.080
  115    HA   VAL  18           HA       VAL  18   3.323   9.497 -19.424
  116    HB   VAL  18           HB       VAL  18   1.360  10.568 -21.476
  117   HG11  VAL  18          1HG1      VAL  18   2.563  12.726 -21.036
  118   HG12  VAL  18          2HG1      VAL  18   1.689  12.152 -19.619
  119   HG13  VAL  18          3HG1      VAL  18   3.451  11.932 -19.723
  120   HG21  VAL  18          3HG2      VAL  18   4.405  10.433 -21.546
  121   HG22  VAL  18          1HG2      VAL  18   3.296   9.539 -22.610
  122   HG23  VAL  18          2HG2      VAL  18   3.383  11.296 -22.712
  123    H    PHE  19           H        PHE  19   2.589  10.428 -17.654
  124    HA   PHE  19           HA       PHE  19  -0.230  10.045 -16.754
  125    HB2  PHE  19           1HB      PHE  19   2.324   9.476 -15.192
  126    HB3  PHE  19           2HB      PHE  19   0.687   9.274 -14.604
  127    HD1  PHE  19           2HD      PHE  19  -0.745   7.392 -15.458
  128    HD2  PHE  19           1HD      PHE  19   3.367   7.839 -16.671
  129    HE1  PHE  19           2HE      PHE  19  -0.753   5.072 -16.345
  130    HE2  PHE  19           1HE      PHE  19   3.356   5.519 -17.556
  131    HZ   PHE  19           HZ       PHE  19   1.285   4.136 -17.421
  132    H    LYS  20           H        LYS  20  -0.968  11.549 -15.191
  133    HA   LYS  20           HA       LYS  20   0.279  14.204 -15.261
  134    HB2  LYS  20           1HB      LYS  20  -2.139  13.863 -15.479
  135    HB3  LYS  20           2HB      LYS  20  -2.211  13.134 -13.872
  136    HG2  LYS  20           1HG      LYS  20  -1.614  15.253 -12.818
  137    HG3  LYS  20           2HG      LYS  20  -1.339  16.013 -14.401
  138    HD2  LYS  20           1HD      LYS  20  -3.694  15.846 -14.968
  139    HD3  LYS  20           2HD      LYS  20  -4.002  14.782 -13.596
  140    HE2  LYS  20           1HE      LYS  20  -4.880  16.911 -13.031
  141    HE3  LYS  20           2HE      LYS  20  -3.468  16.620 -12.019
  142    HZ1  LYS  20           3HZ      LYS  20  -3.634  18.875 -12.962
  143    HZ2  LYS  20           1HZ      LYS  20  -3.404  18.291 -14.473
  144    HZ3  LYS  20           2HZ      LYS  20  -2.211  18.172 -13.337
  145    H    PHE  21           H        PHE  21   0.230  11.577 -12.958
  146    HA   PHE  21           HA       PHE  21   1.615  13.275 -10.919
  147    HB2  PHE  21           1HB      PHE  21  -0.440  11.094 -10.433
  148    HB3  PHE  21           2HB      PHE  21   0.429  11.992  -9.201
  149    HD1  PHE  21           2HD      PHE  21   0.089  14.539  -9.043
  150    HD2  PHE  21           1HD      PHE  21  -2.508  11.934 -11.296
  151    HE1  PHE  21           2HE      PHE  21  -1.724  16.232  -8.914
  152    HE2  PHE  21           1HE      PHE  21  -4.322  13.623 -11.155
  153    HZ   PHE  21           HZ       PHE  21  -3.940  15.766  -9.948
  154    H    LYS  22           H        LYS  22   3.138  12.331  -9.611
  155    HA   LYS  22           HA       LYS  22   4.831  10.362 -10.748
  156    HB2  LYS  22           1HB      LYS  22   5.410  12.218  -9.104
  157    HB3  LYS  22           2HB      LYS  22   4.737  11.216  -7.818
  158    HG2  LYS  22           1HG      LYS  22   6.398   9.441  -8.328
  159    HG3  LYS  22           2HG      LYS  22   7.022  10.409  -9.678
  160    HD2  LYS  22           1HD      LYS  22   7.655  12.212  -8.073
  161    HD3  LYS  22           2HD      LYS  22   7.057  11.209  -6.732
  162    HE2  LYS  22           1HE      LYS  22   8.694   9.432  -7.353
  163    HE3  LYS  22           2HE      LYS  22   9.289  10.449  -8.672
  164    HZ1  LYS  22           3HZ      LYS  22  10.683  10.659  -6.694
  165    HZ2  LYS  22           1HZ      LYS  22   9.424  11.156  -5.785
  166    HZ3  LYS  22           2HZ      LYS  22   9.974  12.095  -7.005
  167    H    HIS  23           H        HIS  23   2.382  10.010  -8.160
  168    HA   HIS  23           HA       HIS  23   3.037   7.320  -7.491
  169    HB2  HIS  23           1HB      HIS  23   0.826   7.265  -6.406
  170    HB3  HIS  23           2HB      HIS  23   1.804   8.653  -5.965
  171    HD1  HIS  23           1HD      HIS  23   0.605  10.961  -6.148
  172    HD2  HIS  23           2HD      HIS  23  -1.288   7.829  -8.226
  173    HE1  HIS  23           1HE      HIS  23  -1.619  11.892  -6.975
  174    H    SER  24           H        SER  24   0.881   8.569 -10.049
  175    HA   SER  24           HA       SER  24  -0.245   6.038 -10.802
  176    HB2  SER  24           1HB      SER  24   0.239   8.514 -12.499
  177    HB3  SER  24           2HB      SER  24  -0.831   7.154 -12.899
  178    HG   SER  24           HG       SER  24  -2.038   8.823 -11.958
  179    H    LEU  25           H        LEU  25   2.681   7.797 -11.958
  180    HA   LEU  25           HA       LEU  25   3.451   5.722 -13.812
  181    HB2  LEU  25           1HB      LEU  25   4.271   7.988 -14.093
  182    HB3  LEU  25           2HB      LEU  25   5.020   7.968 -12.496
  183    HG   LEU  25           HG       LEU  25   6.588   6.187 -13.241
  184   HD11  LEU  25          1HD1      LEU  25   5.218   5.131 -15.034
  185   HD12  LEU  25          2HD1      LEU  25   6.802   5.629 -15.619
  186   HD13  LEU  25          3HD1      LEU  25   5.373   6.609 -16.009
  187   HD21  LEU  25          3HD2      LEU  25   7.216   8.567 -13.452
  188   HD22  LEU  25          1HD2      LEU  25   6.595   8.556 -15.123
  189   HD23  LEU  25          2HD2      LEU  25   7.978   7.542 -14.680
  190    H    GLN  26           H        GLN  26   4.425   6.383 -10.390
  191    HA   GLN  26           HA       GLN  26   6.298   4.268 -10.160
  192    HB2  GLN  26           1HB      GLN  26   4.486   5.650  -8.149
  193    HB3  GLN  26           2HB      GLN  26   5.604   4.390  -7.658
  194    HG2  GLN  26           1HG      GLN  26   6.471   6.927  -9.123
  195    HG3  GLN  26           2HG      GLN  26   6.470   6.742  -7.372
  196   HE21  GLN  26          1HE2      GLN  26   7.909   4.979  -6.440
  197   HE22  GLN  26          2HE2      GLN  26   9.356   4.576  -7.353
  198    H    ALA  27           H        ALA  27   2.739   4.141  -9.624
  199    HA   ALA  27           HA       ALA  27   2.763   1.333  -8.936
  200    HB1  ALA  27           1HB      ALA  27   1.017   2.890  -8.216
  201    HB2  ALA  27           2HB      ALA  27   0.522   3.140  -9.912
  202    HB3  ALA  27           3HB      ALA  27   0.336   1.539  -9.154
  203    H    HIS  28           H        HIS  28   2.455   3.069 -12.047
  204    HA   HIS  28           HA       HIS  28   1.802   0.744 -13.626
  205    HB2  HIS  28           1HB      HIS  28   1.369   2.929 -14.514
  206    HB3  HIS  28           2HB      HIS  28   3.041   3.437 -14.285
  207    HD1  HIS  28           1HD      HIS  28   1.148   0.795 -16.409
  208    HD2  HIS  28           2HD      HIS  28   4.711   3.020 -16.233
  209    HE1  HIS  28           1HE      HIS  28   2.432   0.212 -18.515
  210    H    LEU  29           H        LEU  29   4.943   2.273 -12.774
  211    HA   LEU  29           HA       LEU  29   6.596   0.697 -14.405
  212    HB2  LEU  29           1HB      LEU  29   7.060   2.158 -11.790
  213    HB3  LEU  29           2HB      LEU  29   8.368   1.301 -12.590
  214    HG   LEU  29           HG       LEU  29   6.769   3.502 -13.958
  215   HD11  LEU  29          1HD1      LEU  29   7.987   4.390 -12.004
  216   HD12  LEU  29          2HD1      LEU  29   8.737   4.928 -13.514
  217   HD13  LEU  29          3HD1      LEU  29   9.482   3.617 -12.572
  218   HD21  LEU  29          3HD2      LEU  29   9.407   2.161 -14.656
  219   HD22  LEU  29          1HD2      LEU  29   8.718   3.572 -15.488
  220   HD23  LEU  29          2HD2      LEU  29   7.884   2.027 -15.563
  221    H    ARG  30           H        ARG  30   5.059  -0.331 -11.447
  222    HA   ARG  30           HA       ARG  30   6.696  -2.454 -10.562
  223    HB2  ARG  30           1HB      ARG  30   3.663  -2.447 -10.833
  224    HB3  ARG  30           2HB      ARG  30   4.614  -3.513  -9.794
  225    HG2  ARG  30           1HG      ARG  30   5.285  -1.634  -8.378
  226    HG3  ARG  30           2HG      ARG  30   4.430  -0.495  -9.442
  227    HD2  ARG  30           1HD      ARG  30   2.318  -1.766  -9.064
  228    HD3  ARG  30           2HD      ARG  30   3.162  -2.801  -7.902
  229    HE   ARG  30           HE       ARG  30   3.651  -0.401  -6.806
  230   HH11  ARG  30          2HH1      ARG  30   0.584  -1.622  -8.053
  231   HH12  ARG  30          1HH1      ARG  30  -0.335  -0.707  -6.891
  232   HH21  ARG  30          2HH2      ARG  30   2.385   0.762  -5.392
  233   HH22  ARG  30          1HH2      ARG  30   0.656   0.617  -5.448
  234    H    ILE  31           H        ILE  31   4.673  -2.408 -13.498
  235    HA   ILE  31           HA       ILE  31   4.821  -5.270 -13.898
  236    HB   ILE  31           HB       ILE  31   3.775  -4.996 -15.920
  237   HG12  ILE  31          1HG1      ILE  31   4.509  -2.050 -15.943
  238   HG13  ILE  31          2HG1      ILE  31   5.083  -3.315 -17.027
  239   HG21  ILE  31          1HG2      ILE  31   2.598  -2.792 -14.191
  240   HG22  ILE  31          2HG2      ILE  31   1.750  -3.889 -15.295
  241   HG23  ILE  31          3HG2      ILE  31   2.472  -4.528 -13.819
  242   HD11  ILE  31          3HD1      ILE  31   3.434  -2.076 -18.209
  243   HD12  ILE  31          1HD1      ILE  31   2.739  -3.665 -17.821
  244   HD13  ILE  31          2HD1      ILE  31   2.261  -2.225 -16.885
  245    H    HIS  32           H        HIS  32   6.885  -2.570 -14.832
  246    HA   HIS  32           HA       HIS  32   8.462  -4.199 -16.722
  247    HB2  HIS  32           1HB      HIS  32   8.782  -1.304 -15.862
  248    HB3  HIS  32           2HB      HIS  32   9.591  -2.101 -17.202
  249    HD1  HIS  32           1HD      HIS  32   7.656  -3.037 -19.185
  250    HD2  HIS  32           2HD      HIS  32   6.842   0.167 -16.601
  251    HE1  HIS  32           1HE      HIS  32   5.905  -1.622 -20.368
  252    H    THR  33           H        THR  33   8.890  -2.709 -13.472
  253    HA   THR  33           HA       THR  33  11.740  -3.246 -13.392
  254    HB   THR  33           HB       THR  33  11.592  -2.609 -11.012
  255    HG1  THR  33           1HG      THR  33   9.612  -1.825 -10.253
  256   HG21  THR  33          3HG2      THR  33  10.967  -0.269 -11.373
  257   HG22  THR  33          1HG2      THR  33  10.121  -0.692 -12.876
  258   HG23  THR  33          2HG2      THR  33  11.884  -0.878 -12.760
  259    H    ASN  34           H        ASN  34  12.889  -4.859 -12.406
  260    HA   ASN  34           HA       ASN  34  11.335  -7.329 -11.758
  261    HB2  ASN  34           1HB      ASN  34  13.989  -6.913 -13.167
  262    HB3  ASN  34           2HB      ASN  34  13.400  -8.492 -12.659
  263   HD21  ASN  34          1HD2      ASN  34  13.945  -7.731 -15.383
  264   HD22  ASN  34          2HD2      ASN  34  12.408  -7.869 -16.224
  265    H    GLU  35           H        GLU  35  12.506  -5.144  -9.877
  266    HA   GLU  35           HA       GLU  35  14.292  -6.549  -8.096
  267    HB2  GLU  35           1HB      GLU  35  13.613  -4.802  -6.465
  268    HB3  GLU  35           2HB      GLU  35  14.191  -4.160  -8.000
  269    HG2  GLU  35           1HG      GLU  35  12.024  -3.488  -8.694
  270    HG3  GLU  35           2HG      GLU  35  11.215  -4.529  -7.532
  271    H    LYS  36           H        LYS  36  10.887  -6.844  -8.603
  272    HA   LYS  36           HA       LYS  36  10.596  -8.643  -6.224
  273    HB2  LYS  36           1HB      LYS  36   8.575  -6.704  -7.387
  274    HB3  LYS  36           2HB      LYS  36   8.199  -7.976  -6.219
  275    HG2  LYS  36           1HG      LYS  36   9.862  -6.972  -4.630
  276    HG3  LYS  36           2HG      LYS  36  10.111  -5.642  -5.774
  277    HD2  LYS  36           1HD      LYS  36   7.660  -5.084  -5.605
  278    HD3  LYS  36           2HD      LYS  36   7.486  -6.399  -4.440
  279    HE2  LYS  36           1HE      LYS  36   7.655  -4.542  -3.066
  280    HE3  LYS  36           2HE      LYS  36   9.281  -5.229  -3.024
  281    HZ1  LYS  36           3HZ      LYS  36   9.317  -2.817  -3.337
  282    HZ2  LYS  36           1HZ      LYS  36   8.430  -2.918  -4.700
  283    HZ3  LYS  36           2HZ      LYS  36   9.955  -3.504  -4.665
  284    HA   PRO  37           HA       PRO  37  10.227 -11.145  -9.978
  285    HB2  PRO  37           1HB      PRO  37  10.541 -13.653  -8.866
  286    HB3  PRO  37           2HB      PRO  37  11.864 -12.497  -9.162
  287    HG2  PRO  37           1HG      PRO  37  10.366 -12.963  -6.576
  288    HG3  PRO  37           2HG      PRO  37  12.138 -12.892  -6.826
  289    HD2  PRO  37           1HD      PRO  37  10.763 -10.737  -5.957
  290    HD3  PRO  37           2HD      PRO  37  12.085 -10.542  -7.142
  291    H    TYR  38           H        TYR  38   8.281 -11.877  -7.087
  292    HA   TYR  38           HA       TYR  38   6.477 -13.612  -8.599
  293    HB2  TYR  38           1HB      TYR  38   6.417 -12.768  -5.689
  294    HB3  TYR  38           2HB      TYR  38   5.324 -13.917  -6.438
  295    HD1  TYR  38           1HD      TYR  38   6.375 -15.927  -7.733
  296    HD2  TYR  38           2HD      TYR  38   8.481 -13.556  -4.830
  297    HE1  TYR  38           1HE      TYR  38   8.032 -17.768  -7.437
  298    HE2  TYR  38           2HE      TYR  38  10.134 -15.404  -4.504
  299    HH   TYR  38           HH       TYR  38   9.932 -18.468  -6.353
  300    H    LYS  39           H        LYS  39   5.959 -12.049 -10.122
  301    HA   LYS  39           HA       LYS  39   4.201  -9.775  -9.574
  302    HB2  LYS  39           1HB      LYS  39   5.099 -11.177 -12.109
  303    HB3  LYS  39           2HB      LYS  39   4.032  -9.767 -12.107
  304    HG2  LYS  39           1HG      LYS  39   5.695  -8.338 -11.184
  305    HG3  LYS  39           2HG      LYS  39   6.737  -9.692 -10.720
  306    HD2  LYS  39           1HD      LYS  39   7.120 -10.259 -13.078
  307    HD3  LYS  39           2HD      LYS  39   6.104  -8.908 -13.606
  308    HE2  LYS  39           1HE      LYS  39   8.454  -8.493 -11.722
  309    HE3  LYS  39           2HE      LYS  39   8.728  -8.642 -13.463
  310    HZ1  LYS  39           3HZ      LYS  39   8.473  -6.338 -12.730
  311    HZ2  LYS  39           1HZ      LYS  39   6.948  -6.588 -12.252
  312    HZ3  LYS  39           2HZ      LYS  39   7.341  -6.732 -13.849
  313    H    CYS  40           H        CYS  40   2.049  -9.581  -9.885
  314    HA   CYS  40           HA       CYS  40   0.364 -11.928  -9.814
  315    HB2  CYS  40           1HB      CYS  40  -0.117  -9.956  -8.545
  316    HB3  CYS  40           2HB      CYS  40  -0.200  -8.963 -10.015
  317    HA   PRO  41           HA       PRO  41  -0.223 -12.082 -14.318
  318    HB2  PRO  41           1HB      PRO  41  -2.148 -14.007 -14.459
  319    HB3  PRO  41           2HB      PRO  41  -0.453 -14.369 -14.022
  320    HG2  PRO  41           1HG      PRO  41  -2.806 -13.960 -12.150
  321    HG3  PRO  41           2HG      PRO  41  -1.599 -15.281 -12.139
  322    HD2  PRO  41           1HD      PRO  41  -1.400 -13.055 -10.539
  323    HD3  PRO  41           2HD      PRO  41   0.041 -13.896 -11.187
  324    H    GLN  42           H        GLN  42  -2.434 -10.881 -11.972
  325    HA   GLN  42           HA       GLN  42  -4.450 -10.102 -14.046
  326    HB2  GLN  42           1HB      GLN  42  -4.761 -10.809 -11.112
  327    HB3  GLN  42           2HB      GLN  42  -6.041 -10.090 -12.097
  328    HG2  GLN  42           1HG      GLN  42  -5.956 -11.992 -13.659
  329    HG3  GLN  42           2HG      GLN  42  -4.663 -12.737 -12.723
  330   HE21  GLN  42          1HE2      GLN  42  -5.159 -13.653 -10.604
  331   HE22  GLN  42          2HE2      GLN  42  -6.835 -13.986 -10.186
  332    H    CYS  43           H        CYS  43  -2.341  -8.679 -11.520
  333    HA   CYS  43           HA       CYS  43  -3.211  -6.036 -12.514
  334    HB2  CYS  43           1HB      CYS  43  -3.651  -5.149 -10.322
  335    HB3  CYS  43           2HB      CYS  43  -4.689  -6.534 -10.609
  336    H    SER  44           H        SER  44  -1.824  -4.373 -10.886
  337    HA   SER  44           HA       SER  44   0.875  -4.699 -11.912
  338    HB2  SER  44           1HB      SER  44   1.267  -2.473 -11.084
  339    HB3  SER  44           2HB      SER  44  -0.302  -2.534 -11.895
  340    HG   SER  44           HG       SER  44  -0.777  -1.522 -10.048
  341    H    TYR  45           H        TYR  45  -0.486  -5.980  -9.133
  342    HA   TYR  45           HA       TYR  45   1.383  -5.545  -7.087
  343    HB2  TYR  45           1HB      TYR  45  -0.749  -6.600  -6.728
  344    HB3  TYR  45           2HB      TYR  45  -0.360  -7.912  -7.822
  345    HD1  TYR  45           1HD      TYR  45   1.444  -9.629  -7.113
  346    HD2  TYR  45           2HD      TYR  45  -0.111  -6.634  -4.415
  347    HE1  TYR  45           1HE      TYR  45   2.315 -10.916  -5.178
  348    HE2  TYR  45           2HE      TYR  45   0.742  -7.947  -2.482
  349    HH   TYR  45           HH       TYR  45   1.832  -9.839  -1.805
  350    H    ALA  46           H        ALA  46   3.260  -6.385  -6.483
  351    HA   ALA  46           HA       ALA  46   4.312  -8.854  -7.600
  352    HB1  ALA  46           1HB      ALA  46   5.975  -6.304  -7.782
  353    HB2  ALA  46           2HB      ALA  46   6.488  -7.946  -8.241
  354    HB3  ALA  46           3HB      ALA  46   5.216  -7.126  -9.161
  355    H    SER  47           H        SER  47   5.825  -9.891  -6.218
  356    HA   SER  47           HA       SER  47   6.697  -8.499  -3.751
  357    HB2  SER  47           1HB      SER  47   4.462  -9.625  -3.340
  358    HB3  SER  47           2HB      SER  47   5.280 -11.179  -3.582
  359    HG   SER  47           HG       SER  47   5.918  -9.147  -1.660
  360    H    ALA  48           H        ALA  48   8.066 -10.006  -2.382
  361    HA   ALA  48           HA       ALA  48  10.069 -11.414  -4.077
  362    HB1  ALA  48           1HB      ALA  48  10.847  -9.465  -2.780
  363    HB2  ALA  48           2HB      ALA  48  10.302 -10.247  -1.278
  364    HB3  ALA  48           3HB      ALA  48  11.615 -10.966  -2.234
  365    H    ILE  49           H        ILE  49   7.407 -12.279  -2.292
  366    HA   ILE  49           HA       ILE  49   8.553 -14.960  -1.622
  367    HB   ILE  49           HB       ILE  49   6.535 -13.416   0.045
  368   HG12  ILE  49          1HG1      ILE  49   9.471 -14.032   0.610
  369   HG13  ILE  49          2HG1      ILE  49   8.781 -12.438   0.293
  370   HG21  ILE  49          1HG2      ILE  49   6.725 -15.295   1.632
  371   HG22  ILE  49          2HG2      ILE  49   6.213 -15.901   0.077
  372   HG23  ILE  49          3HG2      ILE  49   7.907 -16.100   0.574
  373   HD11  ILE  49          3HD1      ILE  49   7.379 -12.663   2.361
  374   HD12  ILE  49          1HD1      ILE  49   8.303 -14.138   2.754
  375   HD13  ILE  49          2HD1      ILE  49   9.132 -12.582   2.631
  376    H    LYS  50           H        LYS  50   7.522 -16.600  -2.548
  377    HA   LYS  50           HA       LYS  50   5.362 -16.230  -4.383
  378    HB2  LYS  50           1HB      LYS  50   7.211 -17.977  -4.432
  379    HB3  LYS  50           2HB      LYS  50   6.325 -18.867  -3.193
  380    HG2  LYS  50           1HG      LYS  50   4.374 -19.048  -4.730
  381    HG3  LYS  50           2HG      LYS  50   5.249 -18.104  -5.952
  382    HD2  LYS  50           1HD      LYS  50   7.001 -19.868  -6.051
  383    HD3  LYS  50           2HD      LYS  50   6.117 -20.807  -4.826
  384    HE2  LYS  50           1HE      LYS  50   4.147 -20.918  -6.346
  385    HE3  LYS  50           2HE      LYS  50   5.034 -19.992  -7.564
  386    HZ1  LYS  50           3HZ      LYS  50   5.159 -22.379  -7.999
  387    HZ2  LYS  50           1HZ      LYS  50   5.832 -22.670  -6.544
  388    HZ3  LYS  50           2HZ      LYS  50   6.654 -21.817  -7.670
  389    H    ALA  51           H        ALA  51   5.362 -17.534  -1.069
  390    HA   ALA  51           HA       ALA  51   2.600 -18.234  -0.941
  391    HB1  ALA  51           1HB      ALA  51   4.482 -17.297   1.274
  392    HB2  ALA  51           2HB      ALA  51   2.949 -18.163   1.493
  393    HB3  ALA  51           3HB      ALA  51   4.307 -18.969   0.687
  394    H    ASN  52           H        ASN  52   4.202 -15.054  -0.563
  395    HA   ASN  52           HA       ASN  52   1.840 -13.713   0.431
  396    HB2  ASN  52           1HB      ASN  52   4.271 -12.970   0.681
  397    HB3  ASN  52           2HB      ASN  52   4.211 -12.466  -1.012
  398   HD21  ASN  52          1HD2      ASN  52   4.557 -10.283  -0.464
  399   HD22  ASN  52          2HD2      ASN  52   3.357  -9.334   0.412
  400    H    LEU  53           H        LEU  53   3.228 -14.173  -2.872
  401    HA   LEU  53           HA       LEU  53   1.149 -12.813  -4.270
  402    HB2  LEU  53           1HB      LEU  53   3.228 -13.385  -5.355
  403    HB3  LEU  53           2HB      LEU  53   2.975 -15.106  -5.064
  404    HG   LEU  53           HG       LEU  53   1.015 -15.096  -6.588
  405   HD11  LEU  53          1HD1      LEU  53   0.355 -12.696  -6.387
  406   HD12  LEU  53          2HD1      LEU  53   0.591 -13.201  -8.059
  407   HD13  LEU  53          3HD1      LEU  53   1.844 -12.236  -7.247
  408   HD21  LEU  53          3HD2      LEU  53   2.254 -14.929  -8.655
  409   HD22  LEU  53          1HD2      LEU  53   3.291 -15.640  -7.405
  410   HD23  LEU  53          2HD2      LEU  53   3.500 -13.938  -7.881
  411    H    ASN  54           H        ASN  54   1.278 -16.230  -3.086
  412    HA   ASN  54           HA       ASN  54  -1.267 -16.971  -4.181
  413    HB2  ASN  54           1HB      ASN  54   0.380 -18.591  -3.341
  414    HB3  ASN  54           2HB      ASN  54   0.167 -17.999  -1.696
  415   HD21  ASN  54          1HD2      ASN  54  -1.503 -18.889  -0.458
  416   HD22  ASN  54          2HD2      ASN  54  -2.702 -19.976  -1.139
  417    H    VAL  55           H        VAL  55  -0.479 -15.524  -0.990
  418    HA   VAL  55           HA       VAL  55  -3.202 -15.299  -0.070
  419    HB   VAL  55           HB       VAL  55  -0.630 -13.901   0.708
  420   HG11  VAL  55          1HG1      VAL  55  -2.368 -12.385   1.448
  421   HG12  VAL  55          2HG1      VAL  55  -3.333 -13.735   2.107
  422   HG13  VAL  55          3HG1      VAL  55  -1.778 -13.282   2.841
  423   HG21  VAL  55          3HG2      VAL  55  -2.289 -16.062   2.072
  424   HG22  VAL  55          1HG2      VAL  55  -0.813 -16.348   1.135
  425   HG23  VAL  55          2HG2      VAL  55  -0.727 -15.409   2.629
  426    H    HIS  56           H        HIS  56  -1.321 -13.293  -2.207
  427    HA   HIS  56           HA       HIS  56  -3.313 -11.150  -2.358
  428    HB2  HIS  56           1HB      HIS  56  -1.013 -10.633  -2.846
  429    HB3  HIS  56           2HB      HIS  56  -0.930 -11.875  -4.095
  430    HD1  HIS  56           1HD      HIS  56  -2.946  -8.618  -3.471
  431    HD2  HIS  56           2HD      HIS  56  -1.646 -11.219  -6.509
  432    HE1  HIS  56           1HE      HIS  56  -3.829  -7.647  -5.627
  433    H    LEU  57           H        LEU  57  -2.595 -13.995  -4.468
  434    HA   LEU  57           HA       LEU  57  -4.625 -13.480  -6.404
  435    HB2  LEU  57           1HB      LEU  57  -3.288 -15.979  -5.386
  436    HB3  LEU  57           2HB      LEU  57  -4.465 -16.054  -6.686
  437    HG   LEU  57           HG       LEU  57  -1.996 -14.273  -6.865
  438   HD11  LEU  57          1HD1      LEU  57  -2.359 -17.150  -7.799
  439   HD12  LEU  57          2HD1      LEU  57  -1.292 -16.595  -6.490
  440   HD13  LEU  57          3HD1      LEU  57  -0.964 -16.100  -8.160
  441   HD21  LEU  57          3HD2      LEU  57  -2.423 -14.550  -9.301
  442   HD22  LEU  57          1HD2      LEU  57  -3.759 -13.736  -8.479
  443   HD23  LEU  57          2HD2      LEU  57  -3.903 -15.452  -8.937
  444    H    ARG  58           H        ARG  58  -4.850 -15.061  -3.254
  445    HA   ARG  58           HA       ARG  58  -7.591 -15.885  -3.319
  446    HB2  ARG  58           1HB      ARG  58  -5.809 -14.903  -1.057
  447    HB3  ARG  58           2HB      ARG  58  -7.451 -15.493  -0.792
  448    HG2  ARG  58           1HG      ARG  58  -6.901 -17.688  -1.693
  449    HG3  ARG  58           2HG      ARG  58  -5.289 -17.152  -2.145
  450    HD2  ARG  58           1HD      ARG  58  -5.057 -18.399  -0.137
  451    HD3  ARG  58           2HD      ARG  58  -4.780 -16.720   0.287
  452    HE   ARG  58           HE       ARG  58  -7.159 -18.405   0.945
  453   HH11  ARG  58          2HH1      ARG  58  -5.610 -15.295   1.460
  454   HH12  ARG  58          1HH1      ARG  58  -6.630 -14.929   2.824
  455   HH21  ARG  58          2HH2      ARG  58  -8.412 -17.856   2.672
  456   HH22  ARG  58          1HH2      ARG  58  -8.173 -16.335   3.478
  457    H    LYS  59           H        LYS  59  -6.421 -12.637  -3.425
  458    HA   LYS  59           HA       LYS  59  -9.004 -11.469  -2.536
  459    HB2  LYS  59           1HB      LYS  59  -6.510 -10.031  -3.517
  460    HB3  LYS  59           2HB      LYS  59  -7.919  -9.330  -2.719
  461    HG2  LYS  59           1HG      LYS  59  -7.403 -10.780  -0.703
  462    HG3  LYS  59           2HG      LYS  59  -5.884 -11.236  -1.509
  463    HD2  LYS  59           1HD      LYS  59  -5.126  -8.904  -1.504
  464    HD3  LYS  59           2HD      LYS  59  -6.688  -8.375  -0.858
  465    HE2  LYS  59           1HE      LYS  59  -5.175  -8.425   0.988
  466    HE3  LYS  59           2HE      LYS  59  -6.313  -9.759   1.184
  467    HZ1  LYS  59           3HZ      LYS  59  -3.517  -9.978   0.202
  468    HZ2  LYS  59           1HZ      LYS  59  -4.554 -11.252   0.267
  469    HZ3  LYS  59           2HZ      LYS  59  -4.077 -10.498   1.641
  470    H    HIS  60           H        HIS  60  -7.639 -12.536  -5.495
  471    HA   HIS  60           HA       HIS  60  -9.257 -10.747  -7.186
  472    HB2  HIS  60           1HB      HIS  60  -7.344 -13.009  -7.786
  473    HB3  HIS  60           2HB      HIS  60  -8.404 -12.325  -9.016
  474    HD1  HIS  60           1HD      HIS  60  -8.166  -9.581  -9.403
  475    HD2  HIS  60           2HD      HIS  60  -5.070 -11.655  -7.448
  476    HE1  HIS  60           1HE      HIS  60  -6.147  -8.057  -9.520
  477    H    THR  61           H        THR  61 -10.984 -11.549  -5.556
  478    HA   THR  61           HA       THR  61 -12.695 -13.618  -6.880
  479    HB   THR  61           HB       THR  61 -13.539 -14.162  -4.591
  480    HG1  THR  61           1HG      THR  61 -12.221 -13.467  -2.851
  481   HG21  THR  61          3HG2      THR  61 -11.650 -15.507  -3.871
  482   HG22  THR  61          1HG2      THR  61 -10.525 -14.542  -4.850
  483   HG23  THR  61          2HG2      THR  61 -11.756 -15.550  -5.639
  484    H    GLY  62           H        GLY  62 -12.509 -10.482  -6.820
  485    HA2  GLY  62           1HA      GLY  62 -14.821  -9.469  -5.508
  486    HA3  GLY  62           2HA      GLY  62 -13.883  -8.658  -6.761
  487    H    GLU  63           H        GLU  63 -14.740 -11.267  -8.434
  488    HA   GLU  63           HA       GLU  63 -17.567 -10.488  -8.988
  489    HB2  GLU  63           1HB      GLU  63 -16.046  -9.711 -10.819
  490    HB3  GLU  63           2HB      GLU  63 -15.564 -11.395 -11.094
  491    HG2  GLU  63           1HG      GLU  63 -17.868 -12.002 -11.672
  492    HG3  GLU  63           2HG      GLU  63 -18.436 -10.388 -11.238
  493    H    LYS  64           H        LYS  64 -18.932 -12.041  -8.650
  494    HA   LYS  64           HA       LYS  64 -18.237 -14.877  -9.170
  495    HB2  LYS  64           1HB      LYS  64 -19.649 -13.899  -6.651
  496    HB3  LYS  64           2HB      LYS  64 -19.483 -15.585  -7.159
  497    HG2  LYS  64           1HG      LYS  64 -16.956 -15.296  -7.014
  498    HG3  LYS  64           2HG      LYS  64 -17.250 -13.692  -6.334
  499    HD2  LYS  64           1HD      LYS  64 -16.920 -15.046  -4.446
  500    HD3  LYS  64           2HD      LYS  64 -18.676 -14.854  -4.536
  501    HE2  LYS  64           1HE      LYS  64 -18.714 -17.096  -5.799
  502    HE3  LYS  64           2HE      LYS  64 -16.999 -17.253  -5.402
  503    HZ1  LYS  64           3HZ      LYS  64 -18.337 -18.402  -3.770
  504    HZ2  LYS  64           1HZ      LYS  64 -19.242 -17.090  -3.469
  505    HZ3  LYS  64           2HZ      LYS  64 -17.656 -17.111  -3.022
  506    H    PHE  65           H        PHE  65 -19.939 -16.123  -9.802
  507    HA   PHE  65           HA       PHE  65 -22.339 -14.715 -10.852
  508    HB2  PHE  65           1HB      PHE  65 -21.218 -17.481 -11.451
  509    HB3  PHE  65           2HB      PHE  65 -22.593 -16.715 -12.245
  510    HD1  PHE  65           1HD      PHE  65 -18.904 -16.684 -11.898
  511    HD2  PHE  65           2HD      PHE  65 -22.304 -14.861 -13.827
  512    HE1  PHE  65           1HE      PHE  65 -17.379 -15.473 -13.445
  513    HE2  PHE  65           2HE      PHE  65 -20.778 -13.690 -15.401
  514    HZ   PHE  65           HZ       PHE  65 -18.321 -14.001 -15.216
  515    H    ALA  66           H        ALA  66 -24.330 -15.055  -9.982
  516    HA   ALA  66           HA       ALA  66 -24.452 -16.760  -7.540
  517    HB1  ALA  66           1HB      ALA  66 -25.918 -14.179  -8.201
  518    HB2  ALA  66           2HB      ALA  66 -25.961 -15.063  -6.662
  519    HB3  ALA  66           3HB      ALA  66 -24.452 -14.302  -7.206
  520    H    CYS  67           H        CYS  67 -26.112 -18.048  -7.067
  521    HA   CYS  67           HA       CYS  67 -27.858 -19.031  -9.128
  522    HB2  CYS  67           1HB      CYS  67 -26.786 -20.317  -7.300
  523    HB3  CYS  67           2HB      CYS  67 -27.829 -19.496  -6.127
  524    H    ASP  68           H        ASP  68 -30.003 -18.864  -9.389
  525    HA   ASP  68           HA       ASP  68 -31.395 -16.499  -8.246
  526    HB2  ASP  68           1HB      ASP  68 -31.272 -16.913 -10.727
  527    HB3  ASP  68           2HB      ASP  68 -32.247 -18.362 -10.489
  528    H    TYR  69           H        TYR  69 -31.083 -19.772  -7.557
  529    HA   TYR  69           HA       TYR  69 -33.878 -20.106  -6.534
  530    HB2  TYR  69           1HB      TYR  69 -31.857 -22.166  -7.396
  531    HB3  TYR  69           2HB      TYR  69 -33.514 -22.484  -6.908
  532    HD1  TYR  69           1HD      TYR  69 -35.402 -21.882  -8.409
  533    HD2  TYR  69           2HD      TYR  69 -31.292 -21.313  -9.591
  534    HE1  TYR  69           1HE      TYR  69 -36.118 -21.605 -10.778
  535    HE2  TYR  69           2HE      TYR  69 -32.010 -21.016 -11.955
  536    HH   TYR  69           HH       TYR  69 -33.777 -20.888 -13.403
  537    H    CYS  70           H        CYS  70 -30.517 -20.084  -5.545
  538    HA   CYS  70           HA       CYS  70 -31.306 -20.374  -2.745
  539    HB2  CYS  70           1HB      CYS  70 -29.780 -22.100  -2.164
  540    HB3  CYS  70           2HB      CYS  70 -30.824 -22.689  -3.442
  541    H    SER  71           H        SER  71 -28.797 -20.431  -1.588
  542    HA   SER  71           HA       SER  71 -27.857 -17.684  -2.037
  543    HB2  SER  71           1HB      SER  71 -26.643 -18.050   0.090
  544    HB3  SER  71           2HB      SER  71 -28.382 -18.358   0.213
  545    HG   SER  71           HG       SER  71 -27.124 -20.007   1.221
  546    H    PHE  72           H        PHE  72 -26.942 -20.519  -3.494
  547    HA   PHE  72           HA       PHE  72 -24.134 -20.629  -3.178
  548    HB2  PHE  72           1HB      PHE  72 -25.475 -22.430  -4.103
  549    HB3  PHE  72           2HB      PHE  72 -25.927 -21.439  -5.479
  550    HD1  PHE  72           1HD      PHE  72 -23.122 -23.309  -3.907
  551    HD2  PHE  72           2HD      PHE  72 -24.505 -21.201  -7.406
  552    HE1  PHE  72           1HE      PHE  72 -21.232 -24.244  -5.223
  553    HE2  PHE  72           2HE      PHE  72 -22.620 -22.142  -8.720
  554    HZ   PHE  72           HZ       PHE  72 -20.984 -23.669  -7.630
  555    H    THR  73           H        THR  73 -22.403 -19.738  -4.134
  556    HA   THR  73           HA       THR  73 -22.663 -18.065  -6.545
  557    HB   THR  73           HB       THR  73 -21.121 -16.351  -5.644
  558    HG1  THR  73           1HG      THR  73 -21.787 -17.395  -3.101
  559   HG21  THR  73          3HG2      THR  73 -23.542 -15.870  -5.637
  560   HG22  THR  73          1HG2      THR  73 -22.695 -15.080  -4.301
  561   HG23  THR  73          2HG2      THR  73 -23.676 -16.531  -3.997
  562    H    CYS  74           H        CYS  74 -20.894 -18.164  -7.915
  563    HA   CYS  74           HA       CYS  74 -18.490 -19.708  -7.033
  564    HB2  CYS  74           1HB      CYS  74 -20.294 -21.194  -7.981
  565    HB3  CYS  74           2HB      CYS  74 -20.102 -20.361  -9.536
  566    HG   CYS  74           HG       CYS  74 -18.881 -22.771  -9.424
  567    H    LEU  75           H        LEU  75 -16.677 -19.604  -8.503
  568    HA   LEU  75           HA       LEU  75 -16.239 -16.952  -9.652
  569    HB2  LEU  75           1HB      LEU  75 -14.580 -19.479  -9.311
  570    HB3  LEU  75           2HB      LEU  75 -14.000 -18.166 -10.303
  571    HG   LEU  75           HG       LEU  75 -13.006 -18.126  -8.101
  572   HD11  LEU  75          1HD1      LEU  75 -13.279 -15.783  -7.604
  573   HD12  LEU  75          2HD1      LEU  75 -14.823 -15.713  -8.470
  574   HD13  LEU  75          3HD1      LEU  75 -13.310 -16.007  -9.358
  575   HD21  LEU  75          3HD2      LEU  75 -14.901 -19.005  -6.758
  576   HD22  LEU  75          1HD2      LEU  75 -15.741 -17.449  -6.980
  577   HD23  LEU  75          2HD2      LEU  75 -14.207 -17.516  -6.092
  578    H    SER  76           H        SER  76 -17.598 -19.802 -10.939
  579    HA   SER  76           HA       SER  76 -17.049 -18.919 -13.747
  580    HB2  SER  76           1HB      SER  76 -15.791 -20.897 -13.418
  581    HB3  SER  76           2HB      SER  76 -17.132 -21.711 -12.597
  582    HG   SER  76           HG       SER  76 -16.728 -22.178 -14.943
  583    H    LYS  77           H        LYS  77 -18.708 -18.514 -14.967
  584    HA   LYS  77           HA       LYS  77 -21.469 -18.804 -14.146
  585    HB2  LYS  77           1HB      LYS  77 -20.407 -17.041 -15.683
  586    HB3  LYS  77           2HB      LYS  77 -20.409 -18.270 -16.951
  587    HG2  LYS  77           1HG      LYS  77 -22.891 -18.472 -16.711
  588    HG3  LYS  77           2HG      LYS  77 -22.850 -17.246 -15.425
  589    HD2  LYS  77           1HD      LYS  77 -21.933 -15.591 -17.034
  590    HD3  LYS  77           2HD      LYS  77 -21.972 -16.820 -18.318
  591    HE2  LYS  77           1HE      LYS  77 -24.434 -17.035 -18.025
  592    HE3  LYS  77           2HE      LYS  77 -24.392 -15.807 -16.754
  593    HZ1  LYS  77           3HZ      LYS  77 -25.007 -14.841 -18.896
  594    HZ2  LYS  77           1HZ      LYS  77 -23.620 -15.347 -19.589
  595    HZ3  LYS  77           2HZ      LYS  77 -23.581 -14.212 -18.413
  596    H    GLY  78           H        GLY  78 -19.265 -20.799 -16.048
  597    HA2  GLY  78           1HA      GLY  78 -21.227 -22.646 -17.132
  598    HA3  GLY  78           2HA      GLY  78 -19.486 -22.920 -16.949
  599    H    HIS  79           H        HIS  79 -19.139 -22.668 -14.189
  600    HA   HIS  79           HA       HIS  79 -20.150 -25.144 -13.133
  601    HB2  HIS  79           1HB      HIS  79 -18.040 -23.942 -12.484
  602    HB3  HIS  79           2HB      HIS  79 -19.029 -22.791 -11.585
  603    HD1  HIS  79           1HD      HIS  79 -20.981 -25.177 -10.302
  604    HD2  HIS  79           2HD      HIS  79 -16.784 -24.974 -10.432
  605    HE1  HIS  79           1HE      HIS  79 -20.136 -26.621  -8.370
  606    H    LEU  80           H        LEU  80 -21.302 -21.758 -12.786
  607    HA   LEU  80           HA       LEU  80 -23.428 -22.361 -10.962
  608    HB2  LEU  80           1HB      LEU  80 -22.639 -20.070 -11.338
  609    HB3  LEU  80           2HB      LEU  80 -23.141 -20.148 -13.027
  610    HG   LEU  80           HG       LEU  80 -25.525 -20.423 -12.302
  611   HD11  LEU  80          1HD1      LEU  80 -24.401 -19.842  -9.523
  612   HD12  LEU  80          2HD1      LEU  80 -25.165 -21.369 -10.039
  613   HD13  LEU  80          3HD1      LEU  80 -26.117 -19.896  -9.980
  614   HD21  LEU  80          3HD2      LEU  80 -24.562 -18.211 -12.868
  615   HD22  LEU  80          1HD2      LEU  80 -24.198 -17.973 -11.141
  616   HD23  LEU  80          2HD2      LEU  80 -25.879 -18.134 -11.689
  617    H    LYS  81           H        LYS  81 -23.390 -22.279 -14.571
  618    HA   LYS  81           HA       LYS  81 -26.120 -22.950 -14.955
  619    HB2  LYS  81           1HB      LYS  81 -24.431 -22.157 -16.686
  620    HB3  LYS  81           2HB      LYS  81 -23.757 -23.783 -16.694
  621    HG2  LYS  81           1HG      LYS  81 -25.197 -23.571 -18.575
  622    HG3  LYS  81           2HG      LYS  81 -25.986 -24.666 -17.436
  623    HD2  LYS  81           1HD      LYS  81 -27.534 -22.875 -16.732
  624    HD3  LYS  81           2HD      LYS  81 -26.609 -21.687 -17.660
  625    HE2  LYS  81           1HE      LYS  81 -28.509 -22.151 -18.976
  626    HE3  LYS  81           2HE      LYS  81 -27.158 -22.970 -19.761
  627    HZ1  LYS  81           3HZ      LYS  81 -29.187 -24.271 -18.021
  628    HZ2  LYS  81           1HZ      LYS  81 -27.929 -25.067 -18.704
  629    HZ3  LYS  81           2HZ      LYS  81 -29.093 -24.411 -19.643
  630    H    VAL  82           H        VAL  82 -23.316 -25.115 -14.539
  631    HA   VAL  82           HA       VAL  82 -24.794 -27.586 -14.628
  632    HB   VAL  82           HB       VAL  82 -22.117 -26.868 -13.367
  633   HG11  VAL  82          1HG1      VAL  82 -22.903 -28.887 -12.232
  634   HG12  VAL  82          2HG1      VAL  82 -23.348 -29.625 -13.793
  635   HG13  VAL  82          3HG1      VAL  82 -21.643 -29.314 -13.387
  636   HG21  VAL  82          3HG2      VAL  82 -21.186 -28.004 -15.336
  637   HG22  VAL  82          1HG2      VAL  82 -22.821 -28.373 -15.930
  638   HG23  VAL  82          2HG2      VAL  82 -22.250 -26.698 -15.861
  639    H    HIS  83           H        HIS  83 -23.909 -25.492 -11.810
  640    HA   HIS  83           HA       HIS  83 -25.100 -27.094  -9.786
  641    HB2  HIS  83           1HB      HIS  83 -23.722 -25.260  -9.143
  642    HB3  HIS  83           2HB      HIS  83 -24.663 -24.105 -10.070
  643    HD1  HIS  83           1HD      HIS  83 -24.791 -25.948  -6.723
  644    HD2  HIS  83           2HD      HIS  83 -26.887 -23.106  -8.995
  645    HE1  HIS  83           1HE      HIS  83 -26.526 -24.958  -5.161
  646    H    ILE  84           H        ILE  84 -26.629 -24.529 -11.820
  647    HA   ILE  84           HA       ILE  84 -29.231 -24.839 -10.657
  648    HB   ILE  84           HB       ILE  84 -28.336 -23.683 -13.314
  649   HG12  ILE  84          1HG1      ILE  84 -29.302 -22.353 -10.730
  650   HG13  ILE  84          2HG1      ILE  84 -27.609 -22.565 -11.145
  651   HG21  ILE  84          1HG2      ILE  84 -30.605 -22.654 -13.448
  652   HG22  ILE  84          2HG2      ILE  84 -30.691 -24.403 -13.540
  653   HG23  ILE  84          3HG2      ILE  84 -31.103 -23.581 -12.013
  654   HD11  ILE  84          3HD1      ILE  84 -27.934 -21.175 -13.191
  655   HD12  ILE  84          1HD1      ILE  84 -29.594 -20.826 -12.640
  656   HD13  ILE  84          2HD1      ILE  84 -28.213 -20.319 -11.661
  657    H    GLU  85           H        GLU  85 -27.859 -26.313 -13.632
  658    HA   GLU  85           HA       GLU  85 -30.123 -27.860 -14.375
  659    HB2  GLU  85           1HB      GLU  85 -27.134 -28.203 -14.788
  660    HB3  GLU  85           2HB      GLU  85 -28.311 -29.354 -15.438
  661    HG2  GLU  85           1HG      GLU  85 -29.433 -27.629 -16.707
  662    HG3  GLU  85           2HG      GLU  85 -28.419 -26.370 -16.019
  663    H    ARG  86           H        ARG  86 -27.605 -28.641 -11.970
  664    HA   ARG  86           HA       ARG  86 -28.616 -31.406 -11.673
  665    HB2  ARG  86           1HB      ARG  86 -26.201 -29.979 -10.586
  666    HB3  ARG  86           2HB      ARG  86 -26.675 -31.618 -10.116
  667    HG2  ARG  86           1HG      ARG  86 -26.672 -32.340 -12.501
  668    HG3  ARG  86           2HG      ARG  86 -26.189 -30.708 -12.990
  669    HD2  ARG  86           1HD      ARG  86 -24.241 -32.020 -12.969
  670    HD3  ARG  86           2HD      ARG  86 -24.170 -30.928 -11.564
  671    HE   ARG  86           HE       ARG  86 -25.305 -33.458 -10.800
  672   HH11  ARG  86          2HH1      ARG  86 -22.166 -32.144 -11.630
  673   HH12  ARG  86          1HH1      ARG  86 -21.315 -33.338 -10.689
  674   HH21  ARG  86          2HH2      ARG  86 -24.158 -34.946  -9.612
  675   HH22  ARG  86          1HH2      ARG  86 -22.422 -34.883  -9.582
  676    H    VAL  87           H        VAL  87 -28.549 -28.456  -9.684
  677    HA   VAL  87           HA       VAL  87 -29.579 -29.952  -7.341
  678    HB   VAL  87           HB       VAL  87 -28.690 -27.055  -7.558
  679   HG11  VAL  87          1HG1      VAL  87 -28.492 -27.189  -5.090
  680   HG12  VAL  87          2HG1      VAL  87 -30.160 -27.375  -5.623
  681   HG13  VAL  87          3HG1      VAL  87 -29.230 -28.807  -5.124
  682   HG21  VAL  87          3HG2      VAL  87 -26.642 -27.872  -6.382
  683   HG22  VAL  87          1HG2      VAL  87 -27.224 -29.541  -6.547
  684   HG23  VAL  87          2HG2      VAL  87 -26.796 -28.590  -7.985
  685    H    HIS  88           H        HIS  88 -30.716 -27.413  -9.568
  686    HA   HIS  88           HA       HIS  88 -33.298 -27.278  -8.050
  687    HB2  HIS  88           1HB      HIS  88 -32.055 -25.246  -9.926
  688    HB3  HIS  88           2HB      HIS  88 -33.528 -25.045  -8.976
  689    HD1  HIS  88           1HD      HIS  88 -32.952 -25.448  -6.123
  690    HD2  HIS  88           2HD      HIS  88 -29.958 -24.227  -8.802
  691    HE1  HIS  88           1HE      HIS  88 -31.132 -24.401  -4.696
  692    H    LYS  89           H        LYS  89 -31.959 -27.629 -11.308
  693    HA   LYS  89           HA       LYS  89 -34.605 -28.409 -12.452
  694    HB2  LYS  89           1HB      LYS  89 -31.951 -27.540 -13.524
  695    HB3  LYS  89           2HB      LYS  89 -32.876 -28.656 -14.510
  696    HG2  LYS  89           1HG      LYS  89 -33.261 -26.366 -15.177
  697    HG3  LYS  89           2HG      LYS  89 -34.739 -27.126 -14.601
  698    HD2  LYS  89           1HD      LYS  89 -34.505 -25.930 -12.424
  699    HD3  LYS  89           2HD      LYS  89 -33.027 -25.158 -13.004
  700    HE2  LYS  89           1HE      LYS  89 -35.826 -24.870 -14.204
  701    HE3  LYS  89           2HE      LYS  89 -35.069 -23.719 -13.100
  702    HZ1  LYS  89           3HZ      LYS  89 -33.331 -23.355 -14.787
  703    HZ2  LYS  89           1HZ      LYS  89 -34.810 -22.981 -15.363
  704    HZ3  LYS  89           2HZ      LYS  89 -34.092 -24.367 -15.829
  705    H    LYS  90           H        LYS  90 -34.388 -30.335 -13.991
  706    HA   LYS  90           HA       LYS  90 -33.250 -32.665 -12.493
  707    HB2  LYS  90           1HB      LYS  90 -35.720 -32.517 -12.568
  708    HB3  LYS  90           2HB      LYS  90 -35.667 -32.555 -14.336
  709    HG2  LYS  90           1HG      LYS  90 -34.723 -34.822 -14.294
  710    HG3  LYS  90           2HG      LYS  90 -34.547 -34.751 -12.535
  711    HD2  LYS  90           1HD      LYS  90 -36.465 -36.107 -13.094
  712    HD3  LYS  90           2HD      LYS  90 -37.013 -34.629 -12.290
  713    HE2  LYS  90           1HE      LYS  90 -37.591 -33.643 -14.502
  714    HE3  LYS  90           2HE      LYS  90 -37.004 -35.103 -15.311
  715    HZ1  LYS  90           3HZ      LYS  90 -39.415 -35.154 -15.024
  716    HZ2  LYS  90           1HZ      LYS  90 -39.285 -35.010 -13.406
  717    HZ3  LYS  90           2HZ      LYS  90 -38.746 -36.359 -14.154
  718    H    ILE  91           H        ILE  91 -32.108 -34.209 -13.541
  719    HA   ILE  91           HA       ILE  91 -31.162 -33.628 -16.298
  720    HB   ILE  91           HB       ILE  91 -29.187 -34.822 -15.856
  721   HG12  ILE  91          1HG1      ILE  91 -29.844 -36.619 -14.396
  722   HG13  ILE  91          2HG1      ILE  91 -28.471 -35.743 -13.756
  723   HG21  ILE  91          1HG2      ILE  91 -29.248 -32.452 -15.266
  724   HG22  ILE  91          2HG2      ILE  91 -29.665 -32.852 -13.592
  725   HG23  ILE  91          3HG2      ILE  91 -28.100 -33.352 -14.264
  726   HD11  ILE  91          3HD1      ILE  91 -31.325 -35.633 -12.705
  727   HD12  ILE  91          1HD1      ILE  91 -29.909 -36.354 -11.936
  728   HD13  ILE  91          2HD1      ILE  91 -30.002 -34.594 -12.113
  729    H    LYS  92           H        LYS  92 -30.811 -35.327 -17.753
  730    HA   LYS  92           HA       LYS  92 -32.209 -37.909 -17.351
  731    HB2  LYS  92           1HB      LYS  92 -33.888 -36.286 -18.235
  732    HB3  LYS  92           2HB      LYS  92 -32.849 -36.003 -19.640
  733    HG2  LYS  92           1HG      LYS  92 -33.082 -38.384 -20.300
  734    HG3  LYS  92           2HG      LYS  92 -34.009 -38.711 -18.829
  735    HD2  LYS  92           1HD      LYS  92 -35.526 -38.539 -20.697
  736    HD3  LYS  92           2HD      LYS  92 -35.795 -37.168 -19.611
  737    HE2  LYS  92           1HE      LYS  92 -34.449 -35.711 -21.107
  738    HE3  LYS  92           2HE      LYS  92 -34.123 -37.089 -22.167
  739    HZ1  LYS  92           3HZ      LYS  92 -36.818 -35.954 -21.631
  740    HZ2  LYS  92           1HZ      LYS  92 -36.516 -37.224 -22.614
  741    HZ3  LYS  92           2HZ      LYS  92 -35.962 -35.741 -23.003
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1   1.885  40.483  -9.964
    2    H2   GLY   1           2H       GLY   1   0.549  40.098 -10.834
    3    H3   GLY   1           3H       GLY   1   1.884  40.673 -11.589
    4    HA2  GLY   1           1HA      GLY   1   1.705  38.093 -10.175
    5    HA3  GLY   1           2HA      GLY   1   1.684  38.297 -11.937
    6    H    SER   2           H        SER   2   3.572  36.701 -10.518
    7    HA   SER   2           HA       SER   2   6.114  38.114 -10.311
    8    HB2  SER   2           1HB      SER   2   7.024  35.823  -9.949
    9    HB3  SER   2           2HB      SER   2   5.729  36.284  -8.833
   10    HG   SER   2           HG       SER   2   5.452  34.154  -9.661
   11    H    SER   3           H        SER   3   8.001  37.672 -11.551
   12    HA   SER   3           HA       SER   3   7.540  37.702 -14.409
   13    HB2  SER   3           1HB      SER   3  10.147  37.654 -12.849
   14    HB3  SER   3           2HB      SER   3   9.961  38.039 -14.570
   15    HG   SER   3           HG       SER   3  10.051  39.928 -13.253
   16    H    GLY   4           H        GLY   4   8.227  36.283 -15.998
   17    HA2  GLY   4           1HA      GLY   4   8.899  34.326 -17.020
   18    HA3  GLY   4           2HA      GLY   4   9.843  33.965 -15.581
   19    H    SER   5           H        SER   5   9.376  31.773 -15.747
   20    HA   SER   5           HA       SER   5   6.862  30.899 -14.499
   21    HB2  SER   5           1HB      SER   5   6.490  30.816 -17.001
   22    HB3  SER   5           2HB      SER   5   7.796  29.617 -17.095
   23    HG   SER   5           HG       SER   5   5.677  28.681 -16.913
   24    H    SER   6           H        SER   6   7.000  28.611 -13.807
   25    HA   SER   6           HA       SER   6   9.785  27.714 -13.171
   26    HB2  SER   6           1HB      SER   6   7.522  28.084 -11.174
   27    HB3  SER   6           2HB      SER   6   9.094  27.342 -10.831
   28    HG   SER   6           HG       SER   6   9.022  29.567 -10.242
   29    H    GLY   7           H        GLY   7  10.067  25.558 -12.680
   30    HA2  GLY   7           1HA      GLY   7   9.616  23.297 -12.502
   31    HA3  GLY   7           2HA      GLY   7   7.890  23.615 -12.589
   32    H    LYS   8           H        LYS   8   8.735  21.448 -13.780
   33    HA   LYS   8           HA       LYS   8   8.132  21.805 -16.624
   34    HB2  LYS   8           1HB      LYS   8  10.074  20.689 -17.495
   35    HB3  LYS   8           2HB      LYS   8  10.634  22.047 -16.532
   36    HG2  LYS   8           1HG      LYS   8  11.116  20.502 -14.633
   37    HG3  LYS   8           2HG      LYS   8  10.587  19.132 -15.612
   38    HD2  LYS   8           1HD      LYS   8  12.912  20.980 -16.274
   39    HD3  LYS   8           2HD      LYS   8  13.067  19.403 -15.510
   40    HE2  LYS   8           1HE      LYS   8  11.931  19.888 -18.305
   41    HE3  LYS   8           2HE      LYS   8  13.587  19.409 -17.948
   42    HZ1  LYS   8           3HZ      LYS   8  11.163  17.774 -17.383
   43    HZ2  LYS   8           1HZ      LYS   8  12.680  17.372 -16.900
   44    HZ3  LYS   8           2HZ      LYS   8  12.317  17.467 -18.488
   45    H    ILE   9           H        ILE   9   8.241  19.541 -17.690
   46    HA   ILE   9           HA       ILE   9   6.659  17.651 -16.021
   47    HB   ILE   9           HB       ILE   9   6.827  18.048 -19.034
   48   HG12  ILE   9          1HG1      ILE   9   4.550  18.638 -17.075
   49   HG13  ILE   9          2HG1      ILE   9   5.620  19.860 -17.746
   50   HG21  ILE   9          1HG2      ILE   9   5.102  16.132 -17.412
   51   HG22  ILE   9          2HG2      ILE   9   4.946  16.433 -19.155
   52   HG23  ILE   9          3HG2      ILE   9   6.403  15.688 -18.545
   53   HD11  ILE   9          3HD1      ILE   9   3.620  18.222 -19.320
   54   HD12  ILE   9          1HD1      ILE   9   3.614  19.960 -18.982
   55   HD13  ILE   9          2HD1      ILE   9   4.862  19.283 -20.045
   56    H    PHE  10           H        PHE  10   7.153  15.454 -16.066
   57    HA   PHE  10           HA       PHE  10   9.896  14.664 -16.979
   58    HB2  PHE  10           1HB      PHE  10   8.562  14.034 -14.318
   59    HB3  PHE  10           2HB      PHE  10  10.110  13.405 -14.863
   60    HD1  PHE  10           1HD      PHE  10   8.328  16.404 -13.637
   61    HD2  PHE  10           2HD      PHE  10  12.135  14.815 -14.897
   62    HE1  PHE  10           1HE      PHE  10   9.471  18.392 -12.691
   63    HE2  PHE  10           2HE      PHE  10  13.270  16.831 -13.993
   64    HZ   PHE  10           HZ       PHE  10  11.945  18.609 -12.867
   65    H    THR  11           H        THR  11  10.084  12.608 -17.881
   66    HA   THR  11           HA       THR  11   7.574  11.008 -18.172
   67    HB   THR  11           HB       THR  11   9.466  11.847 -20.391
   68    HG1  THR  11           1HG      THR  11   7.772  13.147 -21.042
   69   HG21  THR  11          3HG2      THR  11   7.650  11.001 -21.879
   70   HG22  THR  11          1HG2      THR  11   6.806  10.364 -20.450
   71   HG23  THR  11          2HG2      THR  11   8.396   9.717 -20.920
   72    H    CYS  12           H        CYS  12   7.753   8.857 -18.236
   73    HA   CYS  12           HA       CYS  12  10.170   7.512 -17.434
   74    HB2  CYS  12           1HB      CYS  12   7.912   6.876 -16.743
   75    HB3  CYS  12           2HB      CYS  12   7.479   6.518 -18.428
   76    H    GLU  13           H        GLU  13  11.667   6.464 -18.570
   77    HA   GLU  13           HA       GLU  13  11.655   6.647 -21.513
   78    HB2  GLU  13           1HB      GLU  13  13.958   6.028 -21.423
   79    HB3  GLU  13           2HB      GLU  13  13.650   7.297 -20.241
   80    HG2  GLU  13           1HG      GLU  13  13.585   5.565 -18.430
   81    HG3  GLU  13           2HG      GLU  13  13.951   4.323 -19.632
   82    H    TYR  14           H        TYR  14  10.548   4.347 -19.303
   83    HA   TYR  14           HA       TYR  14  11.160   2.018 -21.071
   84    HB2  TYR  14           1HB      TYR  14  10.163   2.167 -18.223
   85    HB3  TYR  14           2HB      TYR  14  10.477   0.686 -19.108
   86    HD1  TYR  14           2HD      TYR  14  12.833   0.111 -19.814
   87    HD2  TYR  14           1HD      TYR  14  11.936   3.370 -17.134
   88    HE1  TYR  14           2HE      TYR  14  15.194   0.101 -19.007
   89    HE2  TYR  14           1HE      TYR  14  14.294   3.354 -16.326
   90    HH   TYR  14           HH       TYR  14  16.364   2.387 -16.506
   91    H    CYS  15           H        CYS  15   8.386   3.837 -19.788
   92    HA   CYS  15           HA       CYS  15   6.609   2.296 -21.605
   93    HB2  CYS  15           1HB      CYS  15   4.919   2.022 -19.952
   94    HB3  CYS  15           2HB      CYS  15   6.426   1.310 -19.379
   95    H    ASN  16           H        ASN  16   7.745   5.284 -21.068
   96    HA   ASN  16           HA       ASN  16   7.185   7.358 -21.628
   97    HB2  ASN  16           1HB      ASN  16   6.855   6.057 -23.763
   98    HB3  ASN  16           2HB      ASN  16   5.117   6.156 -23.478
   99   HD21  ASN  16          1HD2      ASN  16   8.031   8.303 -23.622
  100   HD22  ASN  16          2HD2      ASN  16   7.184   9.585 -24.475
  101    H    LYS  17           H        LYS  17   5.436   6.071 -19.397
  102    HA   LYS  17           HA       LYS  17   3.135   7.793 -19.171
  103    HB2  LYS  17           1HB      LYS  17   4.825   6.236 -17.185
  104    HB3  LYS  17           2HB      LYS  17   3.585   7.372 -16.636
  105    HG2  LYS  17           1HG      LYS  17   1.850   6.217 -17.882
  106    HG3  LYS  17           2HG      LYS  17   3.030   5.049 -18.518
  107    HD2  LYS  17           1HD      LYS  17   3.391   4.077 -16.371
  108    HD3  LYS  17           2HD      LYS  17   2.703   5.467 -15.524
  109    HE2  LYS  17           1HE      LYS  17   1.156   3.644 -15.375
  110    HE3  LYS  17           2HE      LYS  17   0.468   4.943 -16.347
  111    HZ1  LYS  17           3HZ      LYS  17   0.063   2.811 -17.385
  112    HZ2  LYS  17           1HZ      LYS  17   1.661   2.438 -17.423
  113    HZ3  LYS  17           2HZ      LYS  17   1.073   3.655 -18.349
  114    H    VAL  18           H        VAL  18   2.826   9.654 -18.076
  115    HA   VAL  18           HA       VAL  18   5.190  11.482 -17.899
  116    HB   VAL  18           HB       VAL  18   2.341  12.158 -18.711
  117   HG11  VAL  18          1HG1      VAL  18   3.369  14.314 -19.435
  118   HG12  VAL  18          2HG1      VAL  18   3.485  14.086 -17.692
  119   HG13  VAL  18          3HG1      VAL  18   4.909  13.793 -18.721
  120   HG21  VAL  18          3HG2      VAL  18   3.440  10.836 -20.485
  121   HG22  VAL  18          1HG2      VAL  18   3.309  12.525 -20.971
  122   HG23  VAL  18          2HG2      VAL  18   4.869  11.891 -20.402
  123    H    PHE  19           H        PHE  19   5.459  12.772 -16.195
  124    HA   PHE  19           HA       PHE  19   3.552  12.671 -13.905
  125    HB2  PHE  19           1HB      PHE  19   6.561  12.212 -13.836
  126    HB3  PHE  19           2HB      PHE  19   5.503  12.296 -12.435
  127    HD1  PHE  19           2HD      PHE  19   3.866  10.485 -11.949
  128    HD2  PHE  19           1HD      PHE  19   6.606  10.222 -15.267
  129    HE1  PHE  19           2HE      PHE  19   3.276   8.090 -12.249
  130    HE2  PHE  19           1HE      PHE  19   6.035   7.822 -15.548
  131    HZ   PHE  19           HZ       PHE  19   4.318   6.767 -14.079
  132    H    LYS  20           H        LYS  20   3.600  14.378 -12.481
  133    HA   LYS  20           HA       LYS  20   4.214  16.990 -13.569
  134    HB2  LYS  20           1HB      LYS  20   3.443  16.119 -10.754
  135    HB3  LYS  20           2HB      LYS  20   3.436  17.786 -11.341
  136    HG2  LYS  20           1HG      LYS  20   1.650  17.187 -12.972
  137    HG3  LYS  20           2HG      LYS  20   1.647  15.528 -12.332
  138    HD2  LYS  20           1HD      LYS  20   1.180  16.484 -10.032
  139    HD3  LYS  20           2HD      LYS  20   1.002  18.083 -10.790
  140    HE2  LYS  20           1HE      LYS  20  -0.805  17.153 -12.238
  141    HE3  LYS  20           2HE      LYS  20  -0.610  15.582 -11.440
  142    HZ1  LYS  20           3HZ      LYS  20  -2.436  16.845 -10.454
  143    HZ2  LYS  20           1HZ      LYS  20  -1.443  18.088 -10.075
  144    HZ3  LYS  20           2HZ      LYS  20  -1.260  16.638  -9.343
  145    H    PHE  21           H        PHE  21   5.956  14.875 -11.383
  146    HA   PHE  21           HA       PHE  21   8.054  16.942 -10.916
  147    HB2  PHE  21           1HB      PHE  21   6.892  15.162  -8.754
  148    HB3  PHE  21           2HB      PHE  21   8.032  16.481  -8.560
  149    HD1  PHE  21           2HD      PHE  21   7.159  18.885  -9.291
  150    HD2  PHE  21           1HD      PHE  21   4.590  15.544  -8.358
  151    HE1  PHE  21           2HE      PHE  21   5.271  20.444  -8.875
  152    HE2  PHE  21           1HE      PHE  21   2.722  17.106  -7.912
  153    HZ   PHE  21           HZ       PHE  21   3.046  19.556  -8.195
  154    H    LYS  22           H        LYS  22  10.129  16.153 -10.389
  155    HA   LYS  22           HA       LYS  22  10.863  13.706 -11.666
  156    HB2  LYS  22           1HB      LYS  22  12.280  15.747 -11.443
  157    HB3  LYS  22           2HB      LYS  22  12.520  15.378  -9.733
  158    HG2  LYS  22           1HG      LYS  22  13.717  13.352 -10.251
  159    HG3  LYS  22           2HG      LYS  22  13.181  13.374 -11.935
  160    HD2  LYS  22           1HD      LYS  22  15.552  14.009 -11.694
  161    HD3  LYS  22           2HD      LYS  22  14.579  15.279 -12.448
  162    HE2  LYS  22           1HE      LYS  22  14.470  16.513 -10.330
  163    HE3  LYS  22           2HE      LYS  22  15.345  15.218  -9.496
  164    HZ1  LYS  22           3HZ      LYS  22  17.265  15.692 -10.928
  165    HZ2  LYS  22           1HZ      LYS  22  16.832  17.039 -10.118
  166    HZ3  LYS  22           2HZ      LYS  22  16.455  16.884 -11.698
  167    H    HIS  23           H        HIS  23  10.336  14.402  -8.203
  168    HA   HIS  23           HA       HIS  23  11.245  11.830  -7.288
  169    HB2  HIS  23           1HB      HIS  23  10.142  12.345  -5.207
  170    HB3  HIS  23           2HB      HIS  23  11.047  13.734  -5.789
  171    HD1  HIS  23           1HD      HIS  23   7.407  12.602  -5.209
  172    HD2  HIS  23           2HD      HIS  23   9.660  15.949  -6.395
  173    HE1  HIS  23           1HE      HIS  23   5.803  14.584  -5.206
  174    H    SER  24           H        SER  24   8.032  12.953  -8.413
  175    HA   SER  24           HA       SER  24   6.612  10.515  -7.935
  176    HB2  SER  24           1HB      SER  24   6.173  12.534 -10.163
  177    HB3  SER  24           2HB      SER  24   5.012  11.327  -9.595
  178    HG   SER  24           HG       SER  24   4.930  12.382  -7.603
  179    H    LEU  25           H        LEU  25   8.492  11.584 -10.826
  180    HA   LEU  25           HA       LEU  25   8.121   9.122 -12.262
  181    HB2  LEU  25           1HB      LEU  25   8.808  11.135 -13.419
  182    HB3  LEU  25           2HB      LEU  25  10.264  11.271 -12.430
  183    HG   LEU  25           HG       LEU  25  11.173   9.201 -13.412
  184   HD11  LEU  25          1HD1      LEU  25   8.749   9.229 -15.261
  185   HD12  LEU  25          2HD1      LEU  25   9.033   8.029 -13.982
  186   HD13  LEU  25          3HD1      LEU  25  10.146   8.134 -15.341
  187   HD21  LEU  25          3HD2      LEU  25  11.662  11.373 -14.468
  188   HD22  LEU  25          1HD2      LEU  25  10.249  11.159 -15.529
  189   HD23  LEU  25          2HD2      LEU  25  11.626  10.049 -15.647
  190    H    GLN  26           H        GLN  26  10.781  10.150 -10.027
  191    HA   GLN  26           HA       GLN  26  12.349   7.795 -10.221
  192    HB2  GLN  26           1HB      GLN  26  11.886   9.810  -8.008
  193    HB3  GLN  26           2HB      GLN  26  12.985   8.451  -7.789
  194    HG2  GLN  26           1HG      GLN  26  14.373   9.149  -9.647
  195    HG3  GLN  26           2HG      GLN  26  13.249  10.417 -10.110
  196   HE21  GLN  26          1HE2      GLN  26  15.867  11.144  -9.738
  197   HE22  GLN  26          2HE2      GLN  26  16.018  12.044  -8.235
  198    H    ALA  27           H        ALA  27   9.533   8.425  -8.077
  199    HA   ALA  27           HA       ALA  27   9.632   5.846  -6.806
  200    HB1  ALA  27           1HB      ALA  27   7.424   6.486  -5.965
  201    HB2  ALA  27           2HB      ALA  27   8.579   7.831  -5.832
  202    HB3  ALA  27           3HB      ALA  27   7.353   7.833  -7.126
  203    H    HIS  28           H        HIS  28   8.060   6.961  -9.821
  204    HA   HIS  28           HA       HIS  28   6.626   4.484 -10.307
  205    HB2  HIS  28           1HB      HIS  28   5.886   6.446 -11.441
  206    HB3  HIS  28           2HB      HIS  28   7.492   6.799 -12.071
  207    HD1  HIS  28           1HD      HIS  28   4.753   4.103 -12.552
  208    HD2  HIS  28           2HD      HIS  28   8.187   5.726 -14.355
  209    HE1  HIS  28           1HE      HIS  28   4.936   2.984 -14.818
  210    H    LEU  29           H        LEU  29   9.846   5.705 -11.333
  211    HA   LEU  29           HA       LEU  29  10.550   3.596 -13.048
  212    HB2  LEU  29           1HB      LEU  29  12.201   5.489 -11.347
  213    HB3  LEU  29           2HB      LEU  29  12.957   4.328 -12.428
  214    HG   LEU  29           HG       LEU  29  10.976   6.431 -13.397
  215   HD11  LEU  29          1HD1      LEU  29  14.023   6.430 -13.449
  216   HD12  LEU  29          2HD1      LEU  29  12.996   7.498 -12.466
  217   HD13  LEU  29          3HD1      LEU  29  12.968   7.628 -14.230
  218   HD21  LEU  29          3HD2      LEU  29  11.143   4.555 -14.945
  219   HD22  LEU  29          1HD2      LEU  29  12.919   4.619 -14.871
  220   HD23  LEU  29          2HD2      LEU  29  11.992   5.945 -15.608
  221    H    ARG  30           H        ARG  30  10.391   3.416  -9.581
  222    HA   ARG  30           HA       ARG  30  12.128   1.238  -9.026
  223    HB2  ARG  30           1HB      ARG  30   9.343   1.820  -7.929
  224    HB3  ARG  30           2HB      ARG  30  10.480   0.662  -7.233
  225    HG2  ARG  30           1HG      ARG  30  12.124   2.477  -6.834
  226    HG3  ARG  30           2HG      ARG  30  10.978   3.665  -7.469
  227    HD2  ARG  30           1HD      ARG  30  10.516   1.878  -5.045
  228    HD3  ARG  30           2HD      ARG  30  10.983   3.589  -4.998
  229    HE   ARG  30           HE       ARG  30   8.647   3.432  -6.574
  230   HH11  ARG  30          2HH1      ARG  30   9.430   2.916  -3.195
  231   HH12  ARG  30          1HH1      ARG  30   7.804   3.280  -2.680
  232   HH21  ARG  30          2HH2      ARG  30   6.629   3.835  -5.875
  233   HH22  ARG  30          1HH2      ARG  30   6.250   3.798  -4.174
  234    H    ILE  31           H        ILE  31   8.941   1.113 -10.698
  235    HA   ILE  31           HA       ILE  31   8.771  -1.761 -10.533
  236    HB   ILE  31           HB       ILE  31   6.967  -1.697 -11.942
  237   HG12  ILE  31          1HG1      ILE  31   7.708   1.083 -12.905
  238   HG13  ILE  31          2HG1      ILE  31   7.770  -0.417 -13.826
  239   HG21  ILE  31          1HG2      ILE  31   6.768   0.916 -10.404
  240   HG22  ILE  31          2HG2      ILE  31   5.468  -0.227 -10.788
  241   HG23  ILE  31          3HG2      ILE  31   6.728  -0.693  -9.646
  242   HD11  ILE  31          3HD1      ILE  31   5.270   0.958 -12.812
  243   HD12  ILE  31          1HD1      ILE  31   5.794   0.714 -14.490
  244   HD13  ILE  31          2HD1      ILE  31   5.301  -0.681 -13.512
  245    H    HIS  32           H        HIS  32  10.475   0.339 -12.695
  246    HA   HIS  32           HA       HIS  32  11.045  -1.814 -14.656
  247    HB2  HIS  32           1HB      HIS  32  11.854   1.113 -14.651
  248    HB3  HIS  32           2HB      HIS  32  12.023  -0.021 -15.983
  249    HD1  HIS  32           1HD      HIS  32   9.394  -1.049 -16.797
  250    HD2  HIS  32           2HD      HIS  32   9.840   2.671 -14.912
  251    HE1  HIS  32           1HE      HIS  32   7.351   0.311 -17.458
  252    H    THR  33           H        THR  33  12.622  -0.102 -12.025
  253    HA   THR  33           HA       THR  33  15.298  -1.223 -12.778
  254    HB   THR  33           HB       THR  33  16.260   0.647 -11.559
  255    HG1  THR  33           1HG      THR  33  13.623   1.642 -11.321
  256   HG21  THR  33          3HG2      THR  33  14.160   1.653 -13.532
  257   HG22  THR  33          1HG2      THR  33  15.737   0.958 -13.967
  258   HG23  THR  33          2HG2      THR  33  15.661   2.470 -13.045
  259    H    ASN  34           H        ASN  34  12.944  -1.451 -10.245
  260    HA   ASN  34           HA       ASN  34  14.833  -3.011  -8.572
  261    HB2  ASN  34           1HB      ASN  34  14.692  -0.594  -7.798
  262    HB3  ASN  34           2HB      ASN  34  12.974  -0.852  -7.489
  263   HD21  ASN  34          1HD2      ASN  34  13.744  -0.155  -5.265
  264   HD22  ASN  34          2HD2      ASN  34  14.368  -1.415  -4.211
  265    H    GLU  35           H        GLU  35  13.179  -4.200 -10.290
  266    HA   GLU  35           HA       GLU  35  10.513  -4.690  -9.364
  267    HB2  GLU  35           1HB      GLU  35  10.362  -6.253 -11.179
  268    HB3  GLU  35           2HB      GLU  35  11.203  -4.802 -11.717
  269    HG2  GLU  35           1HG      GLU  35  13.397  -6.015 -11.407
  270    HG3  GLU  35           2HG      GLU  35  12.485  -7.479 -11.018
  271    H    LYS  36           H        LYS  36   9.562  -6.781  -8.902
  272    HA   LYS  36           HA       LYS  36  11.206  -8.547  -7.111
  273    HB2  LYS  36           1HB      LYS  36   8.302  -7.763  -6.737
  274    HB3  LYS  36           2HB      LYS  36   9.288  -8.819  -5.714
  275    HG2  LYS  36           1HG      LYS  36  10.818  -6.913  -5.231
  276    HG3  LYS  36           2HG      LYS  36   9.746  -5.845  -6.160
  277    HD2  LYS  36           1HD      LYS  36   7.862  -6.471  -4.622
  278    HD3  LYS  36           2HD      LYS  36   9.009  -7.374  -3.624
  279    HE2  LYS  36           1HE      LYS  36   9.164  -4.390  -4.267
  280    HE3  LYS  36           2HE      LYS  36   8.493  -5.069  -2.783
  281    HZ1  LYS  36           3HZ      LYS  36  10.695  -6.006  -2.288
  282    HZ2  LYS  36           1HZ      LYS  36  10.781  -4.386  -2.448
  283    HZ3  LYS  36           2HZ      LYS  36  11.324  -5.344  -3.649
  284    HA   PRO  37           HA       PRO  37  10.304 -11.665  -9.963
  285    HB2  PRO  37           1HB      PRO  37  10.454 -13.987  -8.452
  286    HB3  PRO  37           2HB      PRO  37  11.843 -12.970  -8.921
  287    HG2  PRO  37           1HG      PRO  37  10.303 -12.908  -6.312
  288    HG3  PRO  37           2HG      PRO  37  12.079 -12.969  -6.547
  289    HD2  PRO  37           1HD      PRO  37  10.826 -10.624  -6.079
  290    HD3  PRO  37           2HD      PRO  37  12.137 -10.712  -7.284
  291    H    TYR  38           H        TYR  38   8.232 -12.060  -7.044
  292    HA   TYR  38           HA       TYR  38   6.408 -13.805  -8.554
  293    HB2  TYR  38           1HB      TYR  38   6.341 -12.977  -5.646
  294    HB3  TYR  38           2HB      TYR  38   5.289 -14.153  -6.417
  295    HD1  TYR  38           1HD      TYR  38   6.384 -16.170  -7.632
  296    HD2  TYR  38           2HD      TYR  38   8.463 -13.646  -4.843
  297    HE1  TYR  38           1HE      TYR  38   8.124 -17.940  -7.322
  298    HE2  TYR  38           2HE      TYR  38  10.200 -15.400  -4.516
  299    HH   TYR  38           HH       TYR  38  10.914 -17.502  -5.114
  300    H    LYS  39           H        LYS  39   5.802 -12.349 -10.084
  301    HA   LYS  39           HA       LYS  39   4.181  -9.971  -9.470
  302    HB2  LYS  39           1HB      LYS  39   4.971 -11.322 -12.072
  303    HB3  LYS  39           2HB      LYS  39   4.030  -9.826 -11.974
  304    HG2  LYS  39           1HG      LYS  39   5.842  -8.623 -10.944
  305    HG3  LYS  39           2HG      LYS  39   6.768 -10.108 -10.684
  306    HD2  LYS  39           1HD      LYS  39   6.919 -10.422 -13.156
  307    HD3  LYS  39           2HD      LYS  39   6.097  -8.859 -13.381
  308    HE2  LYS  39           1HE      LYS  39   7.916  -7.723 -12.138
  309    HE3  LYS  39           2HE      LYS  39   8.702  -9.278 -11.838
  310    HZ1  LYS  39           3HZ      LYS  39   8.976  -9.518 -14.258
  311    HZ2  LYS  39           1HZ      LYS  39   9.732  -8.180 -13.713
  312    HZ3  LYS  39           2HZ      LYS  39   8.306  -8.045 -14.513
  313    H    CYS  40           H        CYS  40   2.072  -9.665  -9.812
  314    HA   CYS  40           HA       CYS  40   0.279 -11.924  -9.704
  315    HB2  CYS  40           1HB      CYS  40  -0.070  -9.901  -8.453
  316    HB3  CYS  40           2HB      CYS  40  -0.177  -8.946  -9.945
  317    HA   PRO  41           HA       PRO  41  -0.413 -12.115 -14.196
  318    HB2  PRO  41           1HB      PRO  41  -2.396 -13.974 -14.273
  319    HB3  PRO  41           2HB      PRO  41  -0.713 -14.398 -13.834
  320    HG2  PRO  41           1HG      PRO  41  -3.033 -13.827 -11.958
  321    HG3  PRO  41           2HG      PRO  41  -1.903 -15.216 -11.926
  322    HD2  PRO  41           1HD      PRO  41  -1.557 -12.977 -10.378
  323    HD3  PRO  41           2HD      PRO  41  -0.170 -13.903 -11.029
  324    H    GLN  42           H        GLN  42  -2.598 -10.938 -11.766
  325    HA   GLN  42           HA       GLN  42  -4.602 -10.069 -13.804
  326    HB2  GLN  42           1HB      GLN  42  -4.803 -10.664 -10.841
  327    HB3  GLN  42           2HB      GLN  42  -6.076  -9.824 -11.717
  328    HG2  GLN  42           1HG      GLN  42  -5.028 -12.587 -12.481
  329    HG3  GLN  42           2HG      GLN  42  -6.411 -12.302 -11.438
  330   HE21  GLN  42          1HE2      GLN  42  -6.941 -13.826 -13.611
  331   HE22  GLN  42          2HE2      GLN  42  -7.814 -12.883 -14.812
  332    H    CYS  43           H        CYS  43  -2.366  -8.666 -11.351
  333    HA   CYS  43           HA       CYS  43  -3.153  -6.019 -12.419
  334    HB2  CYS  43           1HB      CYS  43  -3.526  -5.068 -10.249
  335    HB3  CYS  43           2HB      CYS  43  -4.607  -6.431 -10.481
  336    H    SER  44           H        SER  44  -1.702  -4.346 -10.935
  337    HA   SER  44           HA       SER  44   0.983  -4.748 -11.961
  338    HB2  SER  44           1HB      SER  44   1.369  -2.475 -11.036
  339    HB3  SER  44           2HB      SER  44  -0.048  -2.576 -12.094
  340    HG   SER  44           HG       SER  44  -0.474  -1.407 -10.147
  341    H    TYR  45           H        TYR  45  -0.367  -5.941  -9.166
  342    HA   TYR  45           HA       TYR  45   1.522  -5.446  -7.132
  343    HB2  TYR  45           1HB      TYR  45  -0.698  -6.359  -6.771
  344    HB3  TYR  45           2HB      TYR  45  -0.314  -7.791  -7.716
  345    HD1  TYR  45           1HD      TYR  45   1.233  -9.549  -6.750
  346    HD2  TYR  45           2HD      TYR  45   0.038  -6.075  -4.480
  347    HE1  TYR  45           1HE      TYR  45   1.957 -10.671  -4.660
  348    HE2  TYR  45           2HE      TYR  45   0.765  -7.211  -2.381
  349    HH   TYR  45           HH       TYR  45   2.069 -10.538  -2.384
  350    H    ALA  46           H        ALA  46   3.335  -6.390  -6.469
  351    HA   ALA  46           HA       ALA  46   4.224  -8.968  -7.481
  352    HB1  ALA  46           1HB      ALA  46   6.076  -6.557  -7.734
  353    HB2  ALA  46           2HB      ALA  46   6.443  -8.244  -8.171
  354    HB3  ALA  46           3HB      ALA  46   5.235  -7.331  -9.093
  355    H    SER  47           H        SER  47   5.648 -10.049  -6.067
  356    HA   SER  47           HA       SER  47   6.587  -8.609  -3.635
  357    HB2  SER  47           1HB      SER  47   4.412  -9.860  -3.169
  358    HB3  SER  47           2HB      SER  47   5.322 -11.359  -3.443
  359    HG   SER  47           HG       SER  47   5.783  -9.317  -1.499
  360    H    ALA  48           H        ALA  48   8.257  -9.744  -2.450
  361    HA   ALA  48           HA       ALA  48  10.177 -11.101  -4.227
  362    HB1  ALA  48           1HB      ALA  48  11.734 -10.779  -2.369
  363    HB2  ALA  48           2HB      ALA  48  10.924  -9.260  -2.795
  364    HB3  ALA  48           3HB      ALA  48  10.417 -10.164  -1.345
  365    H    ILE  49           H        ILE  49   7.617 -12.120  -2.304
  366    HA   ILE  49           HA       ILE  49   8.808 -14.800  -1.695
  367    HB   ILE  49           HB       ILE  49   6.892 -13.105  -0.065
  368   HG12  ILE  49          1HG1      ILE  49   9.745 -14.027   0.489
  369   HG13  ILE  49          2HG1      ILE  49   9.231 -12.381   0.128
  370   HG21  ILE  49          1HG2      ILE  49   6.214 -15.452   0.103
  371   HG22  ILE  49          2HG2      ILE  49   7.883 -15.929   0.520
  372   HG23  ILE  49          3HG2      ILE  49   6.901 -14.920   1.610
  373   HD11  ILE  49          3HD1      ILE  49   7.867 -12.373   2.235
  374   HD12  ILE  49          1HD1      ILE  49   8.626 -13.930   2.661
  375   HD13  ILE  49          2HD1      ILE  49   9.623 -12.484   2.462
  376    H    LYS  50           H        LYS  50   7.718 -16.526  -2.445
  377    HA   LYS  50           HA       LYS  50   5.563 -16.229  -4.301
  378    HB2  LYS  50           1HB      LYS  50   7.378 -18.007  -4.244
  379    HB3  LYS  50           2HB      LYS  50   6.482 -18.802  -2.948
  380    HG2  LYS  50           1HG      LYS  50   4.529 -19.066  -4.457
  381    HG3  LYS  50           2HG      LYS  50   5.386 -18.184  -5.735
  382    HD2  LYS  50           1HD      LYS  50   7.139 -19.948  -5.771
  383    HD3  LYS  50           2HD      LYS  50   6.270 -20.832  -4.496
  384    HE2  LYS  50           1HE      LYS  50   4.285 -21.014  -5.987
  385    HE3  LYS  50           2HE      LYS  50   5.153 -20.137  -7.253
  386    HZ1  LYS  50           3HZ      LYS  50   6.777 -21.957  -7.305
  387    HZ2  LYS  50           1HZ      LYS  50   5.281 -22.539  -7.591
  388    HZ3  LYS  50           2HZ      LYS  50   5.974 -22.768  -6.133
  389    H    ALA  51           H        ALA  51   5.543 -17.306  -0.911
  390    HA   ALA  51           HA       ALA  51   2.808 -18.040  -0.741
  391    HB1  ALA  51           1HB      ALA  51   4.525 -18.608   0.939
  392    HB2  ALA  51           2HB      ALA  51   4.642 -16.895   1.412
  393    HB3  ALA  51           3HB      ALA  51   3.136 -17.794   1.683
  394    H    ASN  52           H        ASN  52   4.306 -14.796  -0.547
  395    HA   ASN  52           HA       ASN  52   1.934 -13.412   0.355
  396    HB2  ASN  52           1HB      ASN  52   4.415 -12.487  -1.168
  397    HB3  ASN  52           2HB      ASN  52   3.147 -11.408  -0.623
  398   HD21  ASN  52          1HD2      ASN  52   5.567 -10.808   0.169
  399   HD22  ASN  52          2HD2      ASN  52   5.734 -11.132   1.899
  400    H    LEU  53           H        LEU  53   3.221 -14.122  -2.948
  401    HA   LEU  53           HA       LEU  53   1.032 -12.897  -4.345
  402    HB2  LEU  53           1HB      LEU  53   3.136 -13.379  -5.446
  403    HB3  LEU  53           2HB      LEU  53   2.969 -15.105  -5.117
  404    HG   LEU  53           HG       LEU  53   0.986 -15.219  -6.602
  405   HD11  LEU  53          1HD1      LEU  53   1.626 -12.309  -7.263
  406   HD12  LEU  53          2HD1      LEU  53   0.168 -12.882  -6.421
  407   HD13  LEU  53          3HD1      LEU  53   0.446 -13.353  -8.092
  408   HD21  LEU  53          3HD2      LEU  53   2.175 -14.978  -8.706
  409   HD22  LEU  53          1HD2      LEU  53   3.255 -15.655  -7.472
  410   HD23  LEU  53          2HD2      LEU  53   3.391 -13.943  -7.936
  411    H    ASN  54           H        ASN  54   1.515 -16.259  -3.152
  412    HA   ASN  54           HA       ASN  54  -0.889 -17.352  -4.168
  413    HB2  ASN  54           1HB      ASN  54   0.988 -18.655  -3.222
  414    HB3  ASN  54           2HB      ASN  54   0.606 -18.052  -1.608
  415   HD21  ASN  54          1HD2      ASN  54  -0.973 -19.146  -0.407
  416   HD22  ASN  54          2HD2      ASN  54  -1.938 -20.445  -1.088
  417    H    VAL  55           H        VAL  55  -0.395 -15.557  -1.095
  418    HA   VAL  55           HA       VAL  55  -3.192 -15.715  -0.294
  419    HB   VAL  55           HB       VAL  55  -0.922 -13.908   0.587
  420   HG11  VAL  55          1HG1      VAL  55  -3.714 -14.190   1.781
  421   HG12  VAL  55          2HG1      VAL  55  -2.341 -13.385   2.570
  422   HG13  VAL  55          3HG1      VAL  55  -3.005 -12.717   1.080
  423   HG21  VAL  55          3HG2      VAL  55  -0.932 -15.316   2.600
  424   HG22  VAL  55          1HG2      VAL  55  -2.284 -16.274   1.954
  425   HG23  VAL  55          2HG2      VAL  55  -0.693 -16.327   1.174
  426    H    HIS  56           H        HIS  56  -1.285 -13.257  -2.095
  427    HA   HIS  56           HA       HIS  56  -3.343 -11.303  -2.293
  428    HB2  HIS  56           1HB      HIS  56  -1.023 -10.796  -2.760
  429    HB3  HIS  56           2HB      HIS  56  -0.972 -11.975  -4.073
  430    HD1  HIS  56           1HD      HIS  56  -2.552  -8.540  -3.314
  431    HD2  HIS  56           2HD      HIS  56  -1.816 -11.249  -6.443
  432    HE1  HIS  56           1HE      HIS  56  -3.300  -7.365  -5.430
  433    H    LEU  57           H        LEU  57  -2.707 -14.087  -4.478
  434    HA   LEU  57           HA       LEU  57  -4.633 -13.437  -6.471
  435    HB2  LEU  57           1HB      LEU  57  -3.587 -16.042  -5.386
  436    HB3  LEU  57           2HB      LEU  57  -4.657 -15.994  -6.778
  437    HG   LEU  57           HG       LEU  57  -2.016 -14.467  -6.733
  438   HD11  LEU  57          1HD1      LEU  57  -1.063 -16.380  -7.941
  439   HD12  LEU  57          2HD1      LEU  57  -2.590 -17.279  -7.739
  440   HD13  LEU  57          3HD1      LEU  57  -1.608 -16.852  -6.320
  441   HD21  LEU  57          3HD2      LEU  57  -3.857 -15.420  -8.969
  442   HD22  LEU  57          1HD2      LEU  57  -2.251 -14.707  -9.193
  443   HD23  LEU  57          2HD2      LEU  57  -3.548 -13.734  -8.486
  444    H    ARG  58           H        ARG  58  -5.132 -14.911  -3.294
  445    HA   ARG  58           HA       ARG  58  -7.870 -15.728  -3.634
  446    HB2  ARG  58           1HB      ARG  58  -6.518 -14.774  -1.077
  447    HB3  ARG  58           2HB      ARG  58  -8.007 -15.695  -1.190
  448    HG2  ARG  58           1HG      ARG  58  -6.837 -17.635  -2.102
  449    HG3  ARG  58           2HG      ARG  58  -5.325 -16.733  -2.187
  450    HD2  ARG  58           1HD      ARG  58  -5.212 -18.126  -0.236
  451    HD3  ARG  58           2HD      ARG  58  -5.324 -16.447   0.272
  452    HE   ARG  58           HE       ARG  58  -7.400 -16.848   1.240
  453   HH11  ARG  58          2HH1      ARG  58  -6.616 -19.685  -0.671
  454   HH12  ARG  58          1HH1      ARG  58  -7.934 -20.605  -0.001
  455   HH21  ARG  58          2HH2      ARG  58  -9.057 -18.079   2.041
  456   HH22  ARG  58          1HH2      ARG  58  -9.273 -19.714   1.492
  457    H    LYS  59           H        LYS  59  -6.569 -12.513  -3.364
  458    HA   LYS  59           HA       LYS  59  -9.077 -11.227  -2.545
  459    HB2  LYS  59           1HB      LYS  59  -6.624  -9.996  -3.872
  460    HB3  LYS  59           2HB      LYS  59  -7.941  -9.141  -3.073
  461    HG2  LYS  59           1HG      LYS  59  -7.350 -10.241  -0.918
  462    HG3  LYS  59           2HG      LYS  59  -5.967 -11.025  -1.709
  463    HD2  LYS  59           1HD      LYS  59  -5.033  -8.818  -2.301
  464    HD3  LYS  59           2HD      LYS  59  -6.372  -8.009  -1.478
  465    HE2  LYS  59           1HE      LYS  59  -4.395  -9.920  -0.141
  466    HE3  LYS  59           2HE      LYS  59  -4.228  -8.163  -0.152
  467    HZ1  LYS  59           3HZ      LYS  59  -6.355  -8.011   1.034
  468    HZ2  LYS  59           1HZ      LYS  59  -5.285  -8.895   1.887
  469    HZ3  LYS  59           2HZ      LYS  59  -6.492  -9.639   1.084
  470    H    HIS  60           H        HIS  60  -7.694 -12.258  -5.587
  471    HA   HIS  60           HA       HIS  60  -9.356 -10.554  -7.241
  472    HB2  HIS  60           1HB      HIS  60  -7.413 -12.789  -7.870
  473    HB3  HIS  60           2HB      HIS  60  -8.354 -11.977  -9.113
  474    HD1  HIS  60           1HD      HIS  60  -8.139  -9.120  -8.938
  475    HD2  HIS  60           2HD      HIS  60  -5.054 -11.639  -7.570
  476    HE1  HIS  60           1HE      HIS  60  -6.055  -7.679  -8.900
  477    H    THR  61           H        THR  61 -10.848 -12.424  -5.406
  478    HA   THR  61           HA       THR  61 -12.510 -14.011  -7.250
  479    HB   THR  61           HB       THR  61 -13.962 -14.270  -5.223
  480    HG1  THR  61           1HG      THR  61 -13.082 -13.556  -3.260
  481   HG21  THR  61          3HG2      THR  61 -12.420 -15.716  -3.983
  482   HG22  THR  61          1HG2      THR  61 -11.022 -14.961  -4.778
  483   HG23  THR  61          2HG2      THR  61 -12.182 -15.916  -5.726
  484    H    GLY  62           H        GLY  62 -12.412 -10.721  -6.097
  485    HA2  GLY  62           1HA      GLY  62 -15.165  -9.999  -6.671
  486    HA3  GLY  62           2HA      GLY  62 -13.815  -8.900  -6.416
  487    H    GLU  63           H        GLU  63 -15.551  -8.082  -8.222
  488    HA   GLU  63           HA       GLU  63 -14.731  -8.887 -10.936
  489    HB2  GLU  63           1HB      GLU  63 -17.136  -8.824 -10.378
  490    HB3  GLU  63           2HB      GLU  63 -16.999  -7.119  -9.950
  491    HG2  GLU  63           1HG      GLU  63 -17.998  -7.374 -12.147
  492    HG3  GLU  63           2HG      GLU  63 -16.459  -6.547 -12.284
  493    H    LYS  64           H        LYS  64 -14.019  -7.448 -12.420
  494    HA   LYS  64           HA       LYS  64 -12.301  -5.276 -11.371
  495    HB2  LYS  64           1HB      LYS  64 -12.391  -6.847 -13.948
  496    HB3  LYS  64           2HB      LYS  64 -11.584  -5.278 -13.907
  497    HG2  LYS  64           1HG      LYS  64 -10.136  -5.982 -12.076
  498    HG3  LYS  64           2HG      LYS  64 -10.902  -7.587 -12.042
  499    HD2  LYS  64           1HD      LYS  64 -10.067  -8.145 -14.218
  500    HD3  LYS  64           2HD      LYS  64  -9.624  -6.459 -14.569
  501    HE2  LYS  64           1HE      LYS  64  -7.910  -6.489 -12.831
  502    HE3  LYS  64           2HE      LYS  64  -8.331  -8.149 -12.385
  503    HZ1  LYS  64           3HZ      LYS  64  -6.390  -7.852 -13.945
  504    HZ2  LYS  64           1HZ      LYS  64  -7.443  -7.444 -15.127
  505    HZ3  LYS  64           2HZ      LYS  64  -7.504  -8.941 -14.431
  506    H    PHE  65           H        PHE  65 -12.278  -3.257 -11.848
  507    HA   PHE  65           HA       PHE  65 -14.164  -2.025 -13.791
  508    HB2  PHE  65           1HB      PHE  65 -13.272  -0.841 -11.132
  509    HB3  PHE  65           2HB      PHE  65 -14.406  -0.153 -12.288
  510    HD1  PHE  65           2HD      PHE  65 -16.704  -1.089 -12.544
  511    HD2  PHE  65           1HD      PHE  65 -13.955  -2.604  -9.590
  512    HE1  PHE  65           2HE      PHE  65 -18.579  -2.238 -11.383
  513    HE2  PHE  65           1HE      PHE  65 -15.829  -3.747  -8.427
  514    HZ   PHE  65           HZ       PHE  65 -18.146  -3.558  -9.319
  515    H    ALA  66           H        ALA  66 -13.246  -0.082 -14.838
  516    HA   ALA  66           HA       ALA  66 -10.263   0.086 -14.724
  517    HB1  ALA  66           1HB      ALA  66 -10.191  -0.001 -17.163
  518    HB2  ALA  66           2HB      ALA  66 -10.945  -1.472 -16.518
  519    HB3  ALA  66           3HB      ALA  66 -11.955  -0.199 -17.235
  520    H    CYS  67           H        CYS  67  -9.324   2.013 -15.097
  521    HA   CYS  67           HA       CYS  67 -10.854   4.435 -14.842
  522    HB2  CYS  67           1HB      CYS  67  -8.598   3.990 -13.918
  523    HB3  CYS  67           2HB      CYS  67  -7.936   3.974 -15.561
  524    H    ASP  68           H        ASP  68 -11.300   6.001 -16.302
  525    HA   ASP  68           HA       ASP  68 -11.293   5.285 -19.185
  526    HB2  ASP  68           1HB      ASP  68 -13.377   6.029 -17.984
  527    HB3  ASP  68           2HB      ASP  68 -12.634   7.614 -17.774
  528    H    TYR  69           H        TYR  69  -9.268   6.902 -17.079
  529    HA   TYR  69           HA       TYR  69  -8.394   8.973 -19.059
  530    HB2  TYR  69           1HB      TYR  69  -8.184   8.951 -16.057
  531    HB3  TYR  69           2HB      TYR  69  -7.746  10.280 -17.118
  532    HD1  TYR  69           1HD      TYR  69  -9.518  11.637 -18.221
  533    HD2  TYR  69           2HD      TYR  69 -10.479   8.449 -15.479
  534    HE1  TYR  69           1HE      TYR  69 -11.851  12.490 -18.038
  535    HE2  TYR  69           2HE      TYR  69 -12.813   9.288 -15.315
  536    HH   TYR  69           HH       TYR  69 -14.331  10.818 -16.051
  537    H    CYS  70           H        CYS  70  -7.270   6.217 -17.205
  538    HA   CYS  70           HA       CYS  70  -4.643   6.390 -18.482
  539    HB2  CYS  70           1HB      CYS  70  -3.331   6.169 -16.509
  540    HB3  CYS  70           2HB      CYS  70  -4.329   7.601 -16.361
  541    H    SER  71           H        SER  71  -3.376   4.274 -17.291
  542    HA   SER  71           HA       SER  71  -4.837   1.983 -18.374
  543    HB2  SER  71           1HB      SER  71  -2.693   0.797 -18.048
  544    HB3  SER  71           2HB      SER  71  -2.533   2.289 -18.980
  545    HG   SER  71           HG       SER  71  -1.874   1.892 -16.231
  546    H    PHE  72           H        PHE  72  -5.008   3.335 -15.344
  547    HA   PHE  72           HA       PHE  72  -4.556   1.156 -13.588
  548    HB2  PHE  72           1HB      PHE  72  -4.655   3.473 -12.872
  549    HB3  PHE  72           2HB      PHE  72  -6.339   3.588 -13.354
  550    HD1  PHE  72           1HD      PHE  72  -4.107   1.640 -11.019
  551    HD2  PHE  72           2HD      PHE  72  -8.015   3.304 -11.748
  552    HE1  PHE  72           1HE      PHE  72  -4.818   0.991  -8.728
  553    HE2  PHE  72           2HE      PHE  72  -8.710   2.689  -9.448
  554    HZ   PHE  72           HZ       PHE  72  -7.124   1.508  -7.945
  555    H    THR  73           H        THR  73  -5.780  -0.389 -12.664
  556    HA   THR  73           HA       THR  73  -8.667  -0.610 -13.257
  557    HB   THR  73           HB       THR  73  -8.523  -3.073 -13.396
  558    HG1  THR  73           1HG      THR  73  -5.763  -2.644 -13.881
  559   HG21  THR  73          3HG2      THR  73  -6.971  -1.670 -15.614
  560   HG22  THR  73          1HG2      THR  73  -8.739  -1.750 -15.461
  561   HG23  THR  73          2HG2      THR  73  -7.811  -3.235 -15.722
  562    H    CYS  74           H        CYS  74  -9.871  -1.719 -11.695
  563    HA   CYS  74           HA       CYS  74  -8.631  -1.956  -8.991
  564    HB2  CYS  74           1HB      CYS  74  -9.458   0.405  -9.552
  565    HB3  CYS  74           2HB      CYS  74 -11.088  -0.278  -9.650
  566    HG   CYS  74           HG       CYS  74 -11.250   0.618  -7.380
  567    H    LEU  75           H        LEU  75 -10.027  -3.007  -7.429
  568    HA   LEU  75           HA       LEU  75 -12.123  -4.752  -8.621
  569    HB2  LEU  75           1HB      LEU  75  -9.878  -5.439  -7.080
  570    HB3  LEU  75           2HB      LEU  75 -11.208  -5.489  -5.934
  571    HG   LEU  75           HG       LEU  75 -12.458  -6.976  -7.596
  572   HD11  LEU  75          1HD1      LEU  75 -11.092  -8.132  -9.314
  573   HD12  LEU  75          2HD1      LEU  75  -9.707  -7.079  -8.934
  574   HD13  LEU  75          3HD1      LEU  75 -11.175  -6.404  -9.656
  575   HD21  LEU  75          3HD2      LEU  75 -11.134  -8.983  -7.062
  576   HD22  LEU  75          1HD2      LEU  75 -11.276  -7.913  -5.659
  577   HD23  LEU  75          2HD2      LEU  75  -9.759  -7.961  -6.582
  578    H    SER  76           H        SER  76 -12.166  -1.878  -7.328
  579    HA   SER  76           HA       SER  76 -14.913  -2.224  -6.286
  580    HB2  SER  76           1HB      SER  76 -13.689  -2.147  -4.234
  581    HB3  SER  76           2HB      SER  76 -12.682  -0.803  -4.799
  582    HG   SER  76           HG       SER  76 -14.545  -0.288  -3.367
  583    H    LYS  77           H        LYS  77 -16.231  -0.851  -7.263
  584    HA   LYS  77           HA       LYS  77 -15.341   1.200  -9.078
  585    HB2  LYS  77           1HB      LYS  77 -17.466  -0.185  -9.188
  586    HB3  LYS  77           2HB      LYS  77 -18.130   0.834  -7.905
  587    HG2  LYS  77           1HG      LYS  77 -17.864   2.829  -9.363
  588    HG3  LYS  77           2HG      LYS  77 -17.117   1.818 -10.617
  589    HD2  LYS  77           1HD      LYS  77 -19.214   0.508 -10.813
  590    HD3  LYS  77           2HD      LYS  77 -19.962   1.516  -9.552
  591    HE2  LYS  77           1HE      LYS  77 -19.618   3.531 -10.973
  592    HE3  LYS  77           2HE      LYS  77 -18.880   2.524 -12.227
  593    HZ1  LYS  77           3HZ      LYS  77 -21.228   2.937 -12.691
  594    HZ2  LYS  77           1HZ      LYS  77 -21.687   2.274 -11.274
  595    HZ3  LYS  77           2HZ      LYS  77 -21.005   1.342 -12.434
  596    H    GLY  78           H        GLY  78 -16.291   1.276  -5.679
  597    HA2  GLY  78           1HA      GLY  78 -16.541   4.142  -5.379
  598    HA3  GLY  78           2HA      GLY  78 -16.230   2.962  -4.096
  599    H    HIS  79           H        HIS  79 -13.790   1.864  -4.818
  600    HA   HIS  79           HA       HIS  79 -11.910   3.960  -4.166
  601    HB2  HIS  79           1HB      HIS  79 -11.641   1.620  -3.460
  602    HB3  HIS  79           2HB      HIS  79 -11.448   1.123  -5.141
  603    HD1  HIS  79           1HD      HIS  79  -8.949   0.965  -5.857
  604    HD2  HIS  79           2HD      HIS  79  -9.672   3.649  -2.699
  605    HE1  HIS  79           1HE      HIS  79  -6.669   1.878  -5.158
  606    H    LEU  80           H        LEU  80 -12.811   2.402  -7.271
  607    HA   LEU  80           HA       LEU  80 -10.869   3.773  -8.866
  608    HB2  LEU  80           1HB      LEU  80 -12.121   1.825  -9.670
  609    HB3  LEU  80           2HB      LEU  80 -13.634   2.724  -9.563
  610    HG   LEU  80           HG       LEU  80 -12.858   4.291 -11.318
  611   HD11  LEU  80          1HD1      LEU  80 -10.857   3.725 -12.660
  612   HD12  LEU  80          2HD1      LEU  80 -10.428   2.450 -11.501
  613   HD13  LEU  80          3HD1      LEU  80 -10.410   4.166 -11.018
  614   HD21  LEU  80          3HD2      LEU  80 -14.122   2.227 -11.875
  615   HD22  LEU  80          1HD2      LEU  80 -12.569   1.396 -12.161
  616   HD23  LEU  80          2HD2      LEU  80 -13.056   2.776 -13.174
  617    H    LYS  81           H        LYS  81 -14.210   4.756  -7.883
  618    HA   LYS  81           HA       LYS  81 -14.229   7.248  -9.269
  619    HB2  LYS  81           1HB      LYS  81 -16.185   6.118  -8.123
  620    HB3  LYS  81           2HB      LYS  81 -15.523   6.667  -6.576
  621    HG2  LYS  81           1HG      LYS  81 -15.657   9.049  -7.448
  622    HG3  LYS  81           2HG      LYS  81 -16.386   8.416  -8.925
  623    HD2  LYS  81           1HD      LYS  81 -18.144   9.249  -7.534
  624    HD3  LYS  81           2HD      LYS  81 -18.270   7.483  -7.535
  625    HE2  LYS  81           1HE      LYS  81 -17.120   7.399  -5.331
  626    HE3  LYS  81           2HE      LYS  81 -16.915   9.155  -5.363
  627    HZ1  LYS  81           3HZ      LYS  81 -19.537   7.752  -5.300
  628    HZ2  LYS  81           1HZ      LYS  81 -19.340   9.375  -5.322
  629    HZ3  LYS  81           2HZ      LYS  81 -18.843   8.511  -4.033
  630    H    VAL  82           H        VAL  82 -13.000   6.486  -5.987
  631    HA   VAL  82           HA       VAL  82 -12.062   9.133  -5.399
  632    HB   VAL  82           HB       VAL  82 -11.162   6.416  -4.359
  633   HG11  VAL  82          1HG1      VAL  82  -9.317   7.967  -3.952
  634   HG12  VAL  82          2HG1      VAL  82 -10.449   9.194  -3.331
  635   HG13  VAL  82          3HG1      VAL  82 -10.180   7.676  -2.442
  636   HG21  VAL  82          3HG2      VAL  82 -12.481   7.042  -2.381
  637   HG22  VAL  82          1HG2      VAL  82 -12.903   8.600  -3.125
  638   HG23  VAL  82          2HG2      VAL  82 -13.509   7.086  -3.815
  639    H    HIS  83           H        HIS  83 -10.328   6.396  -7.019
  640    HA   HIS  83           HA       HIS  83  -7.880   7.782  -7.494
  641    HB2  HIS  83           1HB      HIS  83  -7.964   5.445  -7.922
  642    HB3  HIS  83           2HB      HIS  83  -9.352   5.587  -8.984
  643    HD1  HIS  83           1HD      HIS  83  -5.561   5.977  -9.077
  644    HD2  HIS  83           2HD      HIS  83  -8.948   6.308 -11.533
  645    HE1  HIS  83           1HE      HIS  83  -4.679   6.151 -11.449
  646    H    ILE  84           H        ILE  84 -10.878   7.723  -9.501
  647    HA   ILE  84           HA       ILE  84  -9.869   9.477 -11.520
  648    HB   ILE  84           HB       ILE  84 -12.683   8.732 -10.684
  649   HG12  ILE  84          1HG1      ILE  84 -11.042   7.980 -13.154
  650   HG13  ILE  84          2HG1      ILE  84 -11.110   6.992 -11.706
  651   HG21  ILE  84          1HG2      ILE  84 -13.432   9.732 -12.849
  652   HG22  ILE  84          2HG2      ILE  84 -12.829  10.937 -11.727
  653   HG23  ILE  84          3HG2      ILE  84 -11.800  10.404 -13.081
  654   HD11  ILE  84          3HD1      ILE  84 -12.624   6.063 -13.297
  655   HD12  ILE  84          1HD1      ILE  84 -13.577   6.756 -11.971
  656   HD13  ILE  84          2HD1      ILE  84 -13.455   7.606 -13.531
  657    H    GLU  85           H        GLU  85 -11.750  10.263  -8.561
  658    HA   GLU  85           HA       GLU  85 -11.838  13.073  -9.045
  659    HB2  GLU  85           1HB      GLU  85 -11.967  11.434  -6.481
  660    HB3  GLU  85           2HB      GLU  85 -12.166  13.188  -6.516
  661    HG2  GLU  85           1HG      GLU  85 -14.067  12.967  -8.076
  662    HG3  GLU  85           2HG      GLU  85 -13.941  11.218  -8.018
  663    H    ARG  86           H        ARG  86  -9.402  11.148  -7.233
  664    HA   ARG  86           HA       ARG  86  -7.926  13.544  -6.419
  665    HB2  ARG  86           1HB      ARG  86  -7.355  10.572  -6.120
  666    HB3  ARG  86           2HB      ARG  86  -6.313  11.851  -5.487
  667    HG2  ARG  86           1HG      ARG  86  -8.189  12.747  -4.134
  668    HG3  ARG  86           2HG      ARG  86  -9.236  11.435  -4.710
  669    HD2  ARG  86           1HD      ARG  86  -7.676   9.771  -3.753
  670    HD3  ARG  86           2HD      ARG  86  -6.629  11.084  -3.176
  671    HE   ARG  86           HE       ARG  86  -9.181  11.611  -2.127
  672   HH11  ARG  86          2HH1      ARG  86  -6.798   9.072  -1.726
  673   HH12  ARG  86          1HH1      ARG  86  -7.342   8.690  -0.116
  674   HH21  ARG  86          2HH2      ARG  86  -9.824  11.071  -0.069
  675   HH22  ARG  86          1HH2      ARG  86  -9.010   9.799   0.791
  676    H    VAL  87           H        VAL  87  -7.455  11.149  -8.991
  677    HA   VAL  87           HA       VAL  87  -4.792  12.308  -9.609
  678    HB   VAL  87           HB       VAL  87  -6.125   9.855 -10.796
  679   HG11  VAL  87          1HG1      VAL  87  -4.334  10.729 -12.239
  680   HG12  VAL  87          2HG1      VAL  87  -3.229  10.804 -10.850
  681   HG13  VAL  87          3HG1      VAL  87  -3.819   9.239 -11.453
  682   HG21  VAL  87          3HG2      VAL  87  -4.571   8.587  -9.312
  683   HG22  VAL  87          1HG2      VAL  87  -4.069  10.109  -8.547
  684   HG23  VAL  87          2HG2      VAL  87  -5.734   9.519  -8.371
  685    H    HIS  88           H        HIS  88  -8.012  12.042 -11.153
  686    HA   HIS  88           HA       HIS  88  -6.872  13.391 -13.571
  687    HB2  HIS  88           1HB      HIS  88  -9.280  11.573 -13.341
  688    HB3  HIS  88           2HB      HIS  88  -8.612  12.260 -14.820
  689    HD1  HIS  88           1HD      HIS  88  -5.751  11.516 -15.039
  690    HD2  HIS  88           2HD      HIS  88  -8.533   9.120 -13.007
  691    HE1  HIS  88           1HE      HIS  88  -4.749   9.183 -14.985
  692    H    LYS  89           H        LYS  89  -9.801  13.513 -11.466
  693    HA   LYS  89           HA       LYS  89 -10.718  15.949 -12.861
  694    HB2  LYS  89           1HB      LYS  89 -11.925  14.542 -10.470
  695    HB3  LYS  89           2HB      LYS  89 -12.642  15.873 -11.372
  696    HG2  LYS  89           1HG      LYS  89 -12.546  14.473 -13.443
  697    HG3  LYS  89           2HG      LYS  89 -12.040  13.092 -12.466
  698    HD2  LYS  89           1HD      LYS  89 -14.115  13.198 -11.163
  699    HD3  LYS  89           2HD      LYS  89 -14.631  14.657 -12.016
  700    HE2  LYS  89           1HE      LYS  89 -14.158  11.948 -13.344
  701    HE3  LYS  89           2HE      LYS  89 -15.732  12.535 -12.798
  702    HZ1  LYS  89           3HZ      LYS  89 -15.491  14.411 -14.353
  703    HZ2  LYS  89           1HZ      LYS  89 -15.438  12.987 -15.146
  704    HZ3  LYS  89           2HZ      LYS  89 -14.064  13.817 -14.898
  705    H    LYS  90           H        LYS  90  -8.443  15.527 -10.516
  706    HA   LYS  90           HA       LYS  90  -8.854  17.740  -8.765
  707    HB2  LYS  90           1HB      LYS  90  -7.284  15.818  -8.444
  708    HB3  LYS  90           2HB      LYS  90  -6.265  16.440  -9.731
  709    HG2  LYS  90           1HG      LYS  90  -5.339  16.953  -7.535
  710    HG3  LYS  90           2HG      LYS  90  -5.710  18.424  -8.418
  711    HD2  LYS  90           1HD      LYS  90  -6.289  18.628  -6.051
  712    HD3  LYS  90           2HD      LYS  90  -7.734  18.779  -7.052
  713    HE2  LYS  90           1HE      LYS  90  -8.323  16.410  -6.567
  714    HE3  LYS  90           2HE      LYS  90  -6.846  16.235  -5.608
  715    HZ1  LYS  90           3HZ      LYS  90  -9.072  18.104  -4.974
  716    HZ2  LYS  90           1HZ      LYS  90  -7.709  17.935  -4.089
  717    HZ3  LYS  90           2HZ      LYS  90  -8.771  16.703  -4.196
  718    H    ILE  91           H        ILE  91  -7.672  17.654 -12.041
  719    HA   ILE  91           HA       ILE  91  -7.179  20.608 -12.038
  720    HB   ILE  91           HB       ILE  91  -5.974  18.489 -13.850
  721   HG12  ILE  91          1HG1      ILE  91  -4.935  18.321 -11.653
  722   HG13  ILE  91          2HG1      ILE  91  -3.818  18.961 -12.837
  723   HG21  ILE  91          1HG2      ILE  91  -4.515  20.366 -14.654
  724   HG22  ILE  91          2HG2      ILE  91  -6.209  20.532 -15.104
  725   HG23  ILE  91          3HG2      ILE  91  -5.552  21.504 -13.769
  726   HD11  ILE  91          3HD1      ILE  91  -5.279  20.628 -10.736
  727   HD12  ILE  91          1HD1      ILE  91  -3.590  20.103 -10.676
  728   HD13  ILE  91          2HD1      ILE  91  -4.107  21.247 -11.924
  729    H    LYS  92           H        LYS  92  -8.217  21.828 -13.550
  730    HA   LYS  92           HA       LYS  92  -9.840  20.603 -15.690
  731    HB2  LYS  92           1HB      LYS  92 -11.319  20.767 -13.671
  732    HB3  LYS  92           2HB      LYS  92 -11.046  22.516 -13.649
  733    HG2  LYS  92           1HG      LYS  92 -12.068  22.692 -15.919
  734    HG3  LYS  92           2HG      LYS  92 -12.250  20.935 -15.972
  735    HD2  LYS  92           1HD      LYS  92 -14.380  21.912 -15.445
  736    HD3  LYS  92           2HD      LYS  92 -13.795  21.047 -14.016
  737    HE2  LYS  92           1HE      LYS  92 -13.036  23.195 -13.023
  738    HE3  LYS  92           2HE      LYS  92 -13.551  24.059 -14.478
  739    HZ1  LYS  92           3HZ      LYS  92 -15.228  24.193 -12.729
  740    HZ2  LYS  92           1HZ      LYS  92 -15.366  22.571 -12.653
  741    HZ3  LYS  92           2HZ      LYS  92 -15.839  23.371 -13.997
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1  -3.320  17.229  -5.844
    2    H2   GLY   1           2H       GLY   1  -2.168  18.103  -5.073
    3    H3   GLY   1           3H       GLY   1  -1.743  17.028  -6.236
    4    HA2  GLY   1           1HA      GLY   1  -3.312  19.484  -6.677
    5    HA3  GLY   1           2HA      GLY   1  -1.598  19.280  -7.083
    6    H    SER   2           H        SER   2  -3.770  19.960  -8.887
    7    HA   SER   2           HA       SER   2  -4.250  17.596 -10.584
    8    HB2  SER   2           1HB      SER   2  -5.685  19.048 -11.846
    9    HB3  SER   2           2HB      SER   2  -6.010  19.300 -10.126
   10    HG   SER   2           HG       SER   2  -5.829  21.302 -11.147
   11    H    SER   3           H        SER   3  -4.077  18.202 -13.070
   12    HA   SER   3           HA       SER   3  -1.307  18.625 -13.833
   13    HB2  SER   3           1HB      SER   3  -2.256  18.430 -16.120
   14    HB3  SER   3           2HB      SER   3  -2.802  17.114 -15.062
   15    HG   SER   3           HG       SER   3  -4.520  18.115 -16.294
   16    H    GLY   4           H        GLY   4  -3.781  20.847 -13.017
   17    HA2  GLY   4           1HA      GLY   4  -4.008  23.127 -13.308
   18    HA3  GLY   4           2HA      GLY   4  -2.496  23.170 -14.223
   19    H    SER   5           H        SER   5  -4.630  20.837 -15.485
   20    HA   SER   5           HA       SER   5  -5.793  22.642 -17.569
   21    HB2  SER   5           1HB      SER   5  -4.287  20.029 -18.003
   22    HB3  SER   5           2HB      SER   5  -5.204  20.897 -19.245
   23    HG   SER   5           HG       SER   5  -2.922  21.842 -17.823
   24    H    SER   6           H        SER   6  -7.466  21.440 -18.920
   25    HA   SER   6           HA       SER   6  -9.437  20.129 -17.241
   26    HB2  SER   6           1HB      SER   6 -10.688  19.927 -19.393
   27    HB3  SER   6           2HB      SER   6 -10.170  21.577 -19.002
   28    HG   SER   6           HG       SER   6  -9.747  21.028 -21.199
   29    H    GLY   7           H        GLY   7  -7.101  18.997 -19.658
   30    HA2  GLY   7           1HA      GLY   7  -7.797  16.138 -19.215
   31    HA3  GLY   7           2HA      GLY   7  -6.670  16.772 -20.407
   32    H    LYS   8           H        LYS   8  -6.052  14.611 -18.791
   33    HA   LYS   8           HA       LYS   8  -3.622  15.598 -17.420
   34    HB2  LYS   8           1HB      LYS   8  -5.321  15.370 -15.651
   35    HB3  LYS   8           2HB      LYS   8  -5.625  13.694 -16.131
   36    HG2  LYS   8           1HG      LYS   8  -3.412  13.012 -15.405
   37    HG3  LYS   8           2HG      LYS   8  -2.892  14.690 -15.217
   38    HD2  LYS   8           1HD      LYS   8  -3.327  13.649 -13.046
   39    HD3  LYS   8           2HD      LYS   8  -4.412  15.017 -13.337
   40    HE2  LYS   8           1HE      LYS   8  -6.232  13.458 -13.973
   41    HE3  LYS   8           2HE      LYS   8  -5.148  12.081 -13.747
   42    HZ1  LYS   8           3HZ      LYS   8  -5.997  13.967 -11.607
   43    HZ2  LYS   8           1HZ      LYS   8  -4.981  12.707 -11.382
   44    HZ3  LYS   8           2HZ      LYS   8  -6.538  12.439 -11.789
   45    H    ILE   9           H        ILE   9  -1.906  14.254 -17.504
   46    HA   ILE   9           HA       ILE   9  -2.033  11.801 -19.196
   47    HB   ILE   9           HB       ILE   9  -0.287  14.254 -19.687
   48   HG12  ILE   9          1HG1      ILE   9  -2.560  13.080 -21.360
   49   HG13  ILE   9          2HG1      ILE   9  -2.614  14.594 -20.456
   50   HG21  ILE   9          1HG2      ILE   9   0.558  13.023 -21.667
   51   HG22  ILE   9          2HG2      ILE   9   0.961  12.197 -20.187
   52   HG23  ILE   9          3HG2      ILE   9  -0.389  11.598 -21.185
   53   HD11  ILE   9          3HD1      ILE   9  -0.959  14.062 -22.929
   54   HD12  ILE   9          1HD1      ILE   9  -2.311  15.180 -22.715
   55   HD13  ILE   9          2HD1      ILE   9  -0.774  15.500 -21.889
   56    H    PHE  10           H        PHE  10  -0.315  10.350 -18.869
   57    HA   PHE  10           HA       PHE  10   1.384  10.831 -16.449
   58    HB2  PHE  10           1HB      PHE  10  -0.049   8.305 -17.346
   59    HB3  PHE  10           2HB      PHE  10   1.090   8.400 -16.013
   60    HD1  PHE  10           1HD      PHE  10  -2.293   9.398 -17.164
   61    HD2  PHE  10           2HD      PHE  10   0.508   9.447 -13.885
   62    HE1  PHE  10           1HE      PHE  10  -4.103  10.135 -15.630
   63    HE2  PHE  10           2HE      PHE  10  -1.302  10.185 -12.351
   64    HZ   PHE  10           HZ       PHE  10  -3.604  10.530 -13.220
   65    H    THR  11           H        THR  11   3.544  10.263 -16.562
   66    HA   THR  11           HA       THR  11   4.568   9.244 -19.180
   67    HB   THR  11           HB       THR  11   5.595  11.648 -17.638
   68    HG1  THR  11           1HG      THR  11   4.716  12.833 -19.316
   69   HG21  THR  11          3HG2      THR  11   6.308  10.564 -20.395
   70   HG22  THR  11          1HG2      THR  11   7.365  10.581 -18.963
   71   HG23  THR  11          2HG2      THR  11   6.877  12.104 -19.712
   72    H    CYS  12           H        CYS  12   6.264   7.909 -19.126
   73    HA   CYS  12           HA       CYS  12   7.261   6.798 -16.631
   74    HB2  CYS  12           1HB      CYS  12   6.844   5.447 -18.612
   75    HB3  CYS  12           2HB      CYS  12   8.017   6.404 -19.546
   76    H    GLU  13           H        GLU  13   9.017   7.368 -15.525
   77    HA   GLU  13           HA       GLU  13  10.710   9.599 -16.445
   78    HB2  GLU  13           1HB      GLU  13  11.568   9.673 -14.213
   79    HB3  GLU  13           2HB      GLU  13   9.809   9.594 -14.166
   80    HG2  GLU  13           1HG      GLU  13   9.949   7.150 -13.647
   81    HG3  GLU  13           2HG      GLU  13  11.712   7.262 -13.662
   82    H    TYR  14           H        TYR  14  10.849   6.288 -16.899
   83    HA   TYR  14           HA       TYR  14  13.830   6.133 -16.753
   84    HB2  TYR  14           1HB      TYR  14  11.738   3.965 -16.967
   85    HB3  TYR  14           2HB      TYR  14  13.465   3.709 -16.820
   86    HD1  TYR  14           2HD      TYR  14  14.655   4.368 -14.685
   87    HD2  TYR  14           1HD      TYR  14  10.355   4.364 -15.046
   88    HE1  TYR  14           2HE      TYR  14  14.448   4.321 -12.204
   89    HE2  TYR  14           1HE      TYR  14  10.154   4.316 -12.559
   90    HH   TYR  14           HH       TYR  14  13.020   4.280 -10.411
   91    H    CYS  15           H        CYS  15  11.154   5.806 -19.074
   92    HA   CYS  15           HA       CYS  15  13.154   5.778 -21.266
   93    HB2  CYS  15           1HB      CYS  15  12.019   4.093 -22.494
   94    HB3  CYS  15           2HB      CYS  15  12.489   3.476 -20.911
   95    H    ASN  16           H        ASN  16  11.008   7.706 -20.025
   96    HA   ASN  16           HA       ASN  16   9.785   9.460 -20.667
   97    HB2  ASN  16           1HB      ASN  16  11.512   9.290 -23.151
   98    HB3  ASN  16           2HB      ASN  16  10.575  10.693 -22.659
   99   HD21  ASN  16          1HD2      ASN  16  13.243  11.020 -23.075
  100   HD22  ASN  16          2HD2      ASN  16  14.032  11.280 -21.526
  101    H    LYS  17           H        LYS  17   8.753   6.704 -21.690
  102    HA   LYS  17           HA       LYS  17   6.949   7.316 -23.863
  103    HB2  LYS  17           1HB      LYS  17   7.022   5.167 -21.721
  104    HB3  LYS  17           2HB      LYS  17   5.721   5.257 -22.930
  105    HG2  LYS  17           1HG      LYS  17   7.341   5.016 -24.756
  106    HG3  LYS  17           2HG      LYS  17   8.673   5.025 -23.581
  107    HD2  LYS  17           1HD      LYS  17   7.560   3.010 -22.468
  108    HD3  LYS  17           2HD      LYS  17   6.413   2.974 -23.803
  109    HE2  LYS  17           1HE      LYS  17   8.187   1.328 -24.053
  110    HE3  LYS  17           2HE      LYS  17   8.191   2.484 -25.391
  111    HZ1  LYS  17           3HZ      LYS  17  10.092   3.563 -24.465
  112    HZ2  LYS  17           1HZ      LYS  17  10.447   1.970 -24.383
  113    HZ3  LYS  17           2HZ      LYS  17   9.982   2.802 -23.035
  114    H    VAL  18           H        VAL  18   4.774   7.619 -23.846
  115    HA   VAL  18           HA       VAL  18   3.646   9.040 -21.456
  116    HB   VAL  18           HB       VAL  18   3.214   9.688 -24.394
  117   HG11  VAL  18          1HG1      VAL  18   1.230  10.262 -23.052
  118   HG12  VAL  18          2HG1      VAL  18   2.270  11.067 -21.851
  119   HG13  VAL  18          3HG1      VAL  18   2.101  11.731 -23.491
  120   HG21  VAL  18          3HG2      VAL  18   4.435  11.787 -23.866
  121   HG22  VAL  18          1HG2      VAL  18   4.775  11.178 -22.233
  122   HG23  VAL  18          2HG2      VAL  18   5.474  10.378 -23.658
  123    H    PHE  19           H        PHE  19   1.660   8.579 -20.786
  124    HA   PHE  19           HA       PHE  19   0.011   6.528 -22.188
  125    HB2  PHE  19           1HB      PHE  19   0.781   6.570 -19.243
  126    HB3  PHE  19           2HB      PHE  19  -0.279   5.408 -20.022
  127    HD1  PHE  19           2HD      PHE  19   0.640   3.693 -21.599
  128    HD2  PHE  19           1HD      PHE  19   3.210   6.423 -19.473
  129    HE1  PHE  19           2HE      PHE  19   2.614   2.318 -22.217
  130    HE2  PHE  19           1HE      PHE  19   5.178   5.043 -20.085
  131    HZ   PHE  19           HZ       PHE  19   4.896   3.006 -21.499
  132    H    LYS  20           H        LYS  20  -2.188   6.665 -21.893
  133    HA   LYS  20           HA       LYS  20  -3.261   9.279 -21.291
  134    HB2  LYS  20           1HB      LYS  20  -4.034   7.720 -23.094
  135    HB3  LYS  20           2HB      LYS  20  -4.728   6.665 -21.857
  136    HG2  LYS  20           1HG      LYS  20  -6.281   8.437 -21.166
  137    HG3  LYS  20           2HG      LYS  20  -5.495   9.595 -22.258
  138    HD2  LYS  20           1HD      LYS  20  -6.190   8.254 -24.209
  139    HD3  LYS  20           2HD      LYS  20  -6.933   7.049 -23.137
  140    HE2  LYS  20           1HE      LYS  20  -8.466   8.789 -22.246
  141    HE3  LYS  20           2HE      LYS  20  -7.721   9.994 -23.303
  142    HZ1  LYS  20           3HZ      LYS  20  -8.489   8.699 -25.219
  143    HZ2  LYS  20           1HZ      LYS  20  -9.758   9.102 -24.280
  144    HZ3  LYS  20           2HZ      LYS  20  -9.176   7.579 -24.248
  145    H    PHE  21           H        PHE  21  -3.040   6.348 -19.398
  146    HA   PHE  21           HA       PHE  21  -4.554   7.620 -17.156
  147    HB2  PHE  21           1HB      PHE  21  -4.763   4.727 -18.063
  148    HB3  PHE  21           2HB      PHE  21  -5.589   5.455 -16.696
  149    HD1  PHE  21           2HD      PHE  21  -7.196   7.475 -17.207
  150    HD2  PHE  21           1HD      PHE  21  -5.857   4.629 -20.159
  151    HE1  PHE  21           2HE      PHE  21  -9.151   8.034 -18.635
  152    HE2  PHE  21           1HE      PHE  21  -7.822   5.176 -21.574
  153    HZ   PHE  21           HZ       PHE  21  -9.473   6.878 -20.814
  154    H    LYS  22           H        LYS  22  -4.030   6.951 -15.062
  155    HA   LYS  22           HA       LYS  22  -1.272   6.471 -14.557
  156    HB2  LYS  22           1HB      LYS  22  -2.991   7.650 -13.095
  157    HB3  LYS  22           2HB      LYS  22  -3.558   6.064 -12.577
  158    HG2  LYS  22           1HG      LYS  22  -1.385   5.539 -11.606
  159    HG3  LYS  22           2HG      LYS  22  -0.649   6.967 -12.351
  160    HD2  LYS  22           1HD      LYS  22  -2.194   8.423 -10.974
  161    HD3  LYS  22           2HD      LYS  22  -2.832   6.964 -10.220
  162    HE2  LYS  22           1HE      LYS  22  -1.248   7.960  -8.730
  163    HE3  LYS  22           2HE      LYS  22  -0.581   6.433  -9.321
  164    HZ1  LYS  22           3HZ      LYS  22   0.808   7.738 -10.860
  165    HZ2  LYS  22           1HZ      LYS  22   1.073   8.212  -9.324
  166    HZ3  LYS  22           2HZ      LYS  22   0.166   9.142 -10.304
  167    H    HIS  23           H        HIS  23  -4.018   4.183 -14.548
  168    HA   HIS  23           HA       HIS  23  -2.540   1.966 -13.524
  169    HB2  HIS  23           1HB      HIS  23  -4.365   0.585 -14.408
  170    HB3  HIS  23           2HB      HIS  23  -4.918   1.950 -13.455
  171    HD1  HIS  23           1HD      HIS  23  -6.784   3.392 -14.570
  172    HD2  HIS  23           2HD      HIS  23  -4.666   0.901 -17.223
  173    HE1  HIS  23           1HE      HIS  23  -7.983   3.548 -16.814
  174    H    SER  24           H        SER  24  -2.794   3.222 -16.854
  175    HA   SER  24           HA       SER  24  -1.454   1.007 -18.122
  176    HB2  SER  24           1HB      SER  24  -1.621   3.914 -18.986
  177    HB3  SER  24           2HB      SER  24  -1.127   2.540 -19.995
  178    HG   SER  24           HG       SER  24  -3.313   2.964 -20.344
  179    H    LEU  25           H        LEU  25  -0.244   4.125 -16.763
  180    HA   LEU  25           HA       LEU  25   2.522   3.547 -17.328
  181    HB2  LEU  25           1HB      LEU  25   1.776   5.820 -16.917
  182    HB3  LEU  25           2HB      LEU  25   1.219   5.394 -15.297
  183    HG   LEU  25           HG       LEU  25   3.539   4.937 -14.584
  184   HD11  LEU  25          1HD1      LEU  25   4.561   4.260 -16.740
  185   HD12  LEU  25          2HD1      LEU  25   5.447   5.585 -15.992
  186   HD13  LEU  25          3HD1      LEU  25   4.356   5.915 -17.356
  187   HD21  LEU  25          3HD2      LEU  25   2.598   7.209 -14.341
  188   HD22  LEU  25          1HD2      LEU  25   3.286   7.641 -15.928
  189   HD23  LEU  25          2HD2      LEU  25   4.356   7.224 -14.577
  190    H    GLN  26           H        GLN  26   0.497   2.931 -14.409
  191    HA   GLN  26           HA       GLN  26   2.528   1.798 -12.775
  192    HB2  GLN  26           1HB      GLN  26  -0.473   1.403 -12.949
  193    HB3  GLN  26           2HB      GLN  26   0.497   0.559 -11.750
  194    HG2  GLN  26           1HG      GLN  26   1.288   2.661 -10.794
  195    HG3  GLN  26           2HG      GLN  26   0.488   3.604 -12.033
  196   HE21  GLN  26          1HE2      GLN  26   0.109   3.777  -9.103
  197   HE22  GLN  26          2HE2      GLN  26  -1.599   3.446  -8.854
  198    H    ALA  27           H        ALA  27   0.445   0.178 -15.219
  199    HA   ALA  27           HA       ALA  27   1.611  -2.427 -14.767
  200    HB1  ALA  27           1HB      ALA  27   0.064  -1.302 -17.126
  201    HB2  ALA  27           2HB      ALA  27   0.384  -3.022 -16.796
  202    HB3  ALA  27           3HB      ALA  27  -0.632  -2.077 -15.680
  203    H    HIS  28           H        HIS  28   2.443   0.276 -16.960
  204    HA   HIS  28           HA       HIS  28   4.463  -1.143 -18.454
  205    HB2  HIS  28           1HB      HIS  28   3.527   0.881 -19.347
  206    HB3  HIS  28           2HB      HIS  28   3.946   1.800 -17.902
  207    HD1  HIS  28           1HD      HIS  28   5.860  -0.090 -20.700
  208    HD2  HIS  28           2HD      HIS  28   6.257   2.982 -17.855
  209    HE1  HIS  28           1HE      HIS  28   8.173   0.879 -21.051
  210    H    LEU  29           H        LEU  29   4.628   0.826 -15.461
  211    HA   LEU  29           HA       LEU  29   7.421   0.878 -15.150
  212    HB2  LEU  29           1HB      LEU  29   5.085   1.036 -13.225
  213    HB3  LEU  29           2HB      LEU  29   6.731   1.114 -12.619
  214    HG   LEU  29           HG       LEU  29   5.730   3.025 -14.766
  215   HD11  LEU  29          1HD1      LEU  29   5.461   4.667 -12.936
  216   HD12  LEU  29          2HD1      LEU  29   5.828   3.402 -11.740
  217   HD13  LEU  29          3HD1      LEU  29   4.358   3.298 -12.736
  218   HD21  LEU  29          3HD2      LEU  29   8.190   2.858 -14.583
  219   HD22  LEU  29          1HD2      LEU  29   8.081   3.137 -12.833
  220   HD23  LEU  29          2HD2      LEU  29   7.616   4.414 -13.981
  221    H    ARG  30           H        ARG  30   5.439  -1.920 -14.786
  222    HA   ARG  30           HA       ARG  30   6.961  -3.415 -12.876
  223    HB2  ARG  30           1HB      ARG  30   5.396  -4.452 -15.273
  224    HB3  ARG  30           2HB      ARG  30   5.852  -5.377 -13.836
  225    HG2  ARG  30           1HG      ARG  30   4.419  -3.881 -12.426
  226    HG3  ARG  30           2HG      ARG  30   3.961  -2.988 -13.875
  227    HD2  ARG  30           1HD      ARG  30   2.191  -4.403 -13.791
  228    HD3  ARG  30           2HD      ARG  30   3.268  -5.358 -14.810
  229    HE   ARG  30           HE       ARG  30   3.412  -5.817 -11.880
  230   HH11  ARG  30          1HH2      ARG  30   1.921  -6.999 -14.861
  231   HH12  ARG  30          2HH2      ARG  30   1.301  -8.408 -14.027
  232   HH21  ARG  30          2HH1      ARG  30   2.518  -7.653 -10.972
  233   HH22  ARG  30          1HH1      ARG  30   1.583  -8.708 -12.005
  234    H    ILE  31           H        ILE  31   7.873  -2.560 -16.129
  235    HA   ILE  31           HA       ILE  31   9.940  -4.645 -16.289
  236    HB   ILE  31           HB       ILE  31  10.472  -3.866 -18.371
  237   HG12  ILE  31          1HG1      ILE  31   8.925  -1.301 -17.890
  238   HG13  ILE  31          2HG1      ILE  31  10.668  -1.486 -18.062
  239   HG21  ILE  31          1HG2      ILE  31   8.288  -5.085 -18.086
  240   HG22  ILE  31          2HG2      ILE  31   7.457  -3.518 -18.245
  241   HG23  ILE  31          3HG2      ILE  31   8.428  -4.163 -19.583
  242   HD11  ILE  31          3HD1      ILE  31  10.321  -2.352 -20.383
  243   HD12  ILE  31          1HD1      ILE  31   8.601  -1.904 -20.234
  244   HD13  ILE  31          2HD1      ILE  31   9.858  -0.656 -20.131
  245    H    HIS  32           H        HIS  32   9.732  -1.341 -15.201
  246    HA   HIS  32           HA       HIS  32  12.678  -0.981 -15.108
  247    HB2  HIS  32           1HB      HIS  32  10.416   0.910 -14.365
  248    HB3  HIS  32           2HB      HIS  32  12.127   1.313 -14.455
  249    HD1  HIS  32           1HD      HIS  32  13.128   0.686 -17.186
  250    HD2  HIS  32           2HD      HIS  32   9.144   1.769 -16.420
  251    HE1  HIS  32           1HE      HIS  32  12.234   1.628 -19.373
  252    H    THR  33           H        THR  33   9.914  -1.358 -12.931
  253    HA   THR  33           HA       THR  33  11.556  -1.243 -10.482
  254    HB   THR  33           HB       THR  33   9.435  -1.534  -9.286
  255    HG1  THR  33           1HG      THR  33   8.227  -1.408 -11.851
  256   HG21  THR  33          3HG2      THR  33  10.163   0.744  -9.918
  257   HG22  THR  33          1HG2      THR  33   8.398   0.590  -9.871
  258   HG23  THR  33          2HG2      THR  33   9.244   0.625 -11.433
  259    H    ASN  34           H        ASN  34  12.340  -3.263 -12.228
  260    HA   ASN  34           HA       ASN  34  11.053  -5.764 -11.679
  261    HB2  ASN  34           1HB      ASN  34  12.059  -4.987 -13.868
  262    HB3  ASN  34           2HB      ASN  34  13.659  -5.231 -13.162
  263   HD21  ASN  34          1HD2      ASN  34  14.198  -6.880 -14.707
  264   HD22  ASN  34          2HD2      ASN  34  13.392  -8.441 -14.679
  265    H    GLU  35           H        GLU  35  11.835  -4.869  -9.241
  266    HA   GLU  35           HA       GLU  35  14.197  -6.473  -8.366
  267    HB2  GLU  35           1HB      GLU  35  12.508  -4.422  -6.884
  268    HB3  GLU  35           2HB      GLU  35  13.983  -5.197  -6.287
  269    HG2  GLU  35           1HG      GLU  35  15.247  -4.197  -8.210
  270    HG3  GLU  35           2HG      GLU  35  13.783  -3.342  -8.703
  271    H    LYS  36           H        LYS  36  10.762  -6.654  -8.406
  272    HA   LYS  36           HA       LYS  36  10.654  -8.741  -6.261
  273    HB2  LYS  36           1HB      LYS  36   8.617  -6.793  -7.345
  274    HB3  LYS  36           2HB      LYS  36   8.125  -8.297  -6.586
  275    HG2  LYS  36           1HG      LYS  36   8.006  -6.598  -4.953
  276    HG3  LYS  36           2HG      LYS  36   9.309  -7.699  -4.508
  277    HD2  LYS  36           1HD      LYS  36  10.992  -6.102  -5.238
  278    HD3  LYS  36           2HD      LYS  36   9.763  -5.013  -5.898
  279    HE2  LYS  36           1HE      LYS  36  10.005  -5.807  -2.956
  280    HE3  LYS  36           2HE      LYS  36  10.753  -4.369  -3.653
  281    HZ1  LYS  36           3HZ      LYS  36   8.630  -3.820  -2.647
  282    HZ2  LYS  36           1HZ      LYS  36   7.825  -4.880  -3.589
  283    HZ3  LYS  36           2HZ      LYS  36   8.536  -3.563  -4.254
  284    HA   PRO  37           HA       PRO  37  10.389 -11.305  -9.992
  285    HB2  PRO  37           1HB      PRO  37  10.632 -13.787  -8.823
  286    HB3  PRO  37           2HB      PRO  37  11.984 -12.652  -9.069
  287    HG2  PRO  37           1HG      PRO  37  10.357 -13.054  -6.552
  288    HG3  PRO  37           2HG      PRO  37  12.141 -13.018  -6.721
  289    HD2  PRO  37           1HD      PRO  37  10.756 -10.825  -5.956
  290    HD3  PRO  37           2HD      PRO  37  12.146 -10.675  -7.065
  291    H    TYR  38           H        TYR  38   8.344 -11.937  -7.133
  292    HA   TYR  38           HA       TYR  38   6.569 -13.693  -8.659
  293    HB2  TYR  38           1HB      TYR  38   6.479 -12.788  -5.775
  294    HB3  TYR  38           2HB      TYR  38   5.379 -13.945  -6.496
  295    HD1  TYR  38           1HD      TYR  38   6.458 -16.011  -7.723
  296    HD2  TYR  38           2HD      TYR  38   8.477 -13.571  -4.809
  297    HE1  TYR  38           1HE      TYR  38   8.106 -17.844  -7.327
  298    HE2  TYR  38           2HE      TYR  38  10.118 -15.403  -4.393
  299    HH   TYR  38           HH       TYR  38  10.785 -17.524  -4.966
  300    H    LYS  39           H        LYS  39   5.896 -12.272 -10.240
  301    HA   LYS  39           HA       LYS  39   4.242  -9.923  -9.586
  302    HB2  LYS  39           1HB      LYS  39   5.238 -11.135 -12.185
  303    HB3  LYS  39           2HB      LYS  39   4.167  -9.733 -12.128
  304    HG2  LYS  39           1HG      LYS  39   5.798  -8.477 -10.795
  305    HG3  LYS  39           2HG      LYS  39   6.862  -9.883 -10.727
  306    HD2  LYS  39           1HD      LYS  39   6.978  -9.764 -13.281
  307    HD3  LYS  39           2HD      LYS  39   6.138  -8.198 -13.161
  308    HE2  LYS  39           1HE      LYS  39   7.972  -7.405 -11.609
  309    HE3  LYS  39           2HE      LYS  39   8.771  -8.964 -11.815
  310    HZ1  LYS  39           3HZ      LYS  39   8.470  -6.815 -13.819
  311    HZ2  LYS  39           1HZ      LYS  39   8.727  -8.371 -14.303
  312    HZ3  LYS  39           2HZ      LYS  39   9.816  -7.619 -13.358
  313    H    CYS  40           H        CYS  40   2.160  -9.677  -9.766
  314    HA   CYS  40           HA       CYS  40   0.361 -11.912  -9.860
  315    HB2  CYS  40           1HB      CYS  40  -0.014  -9.954  -8.509
  316    HB3  CYS  40           2HB      CYS  40  -0.107  -8.920  -9.955
  317    HA   PRO  41           HA       PRO  41  -0.327 -11.763 -14.358
  318    HB2  PRO  41           1HB      PRO  41  -2.146 -13.767 -14.607
  319    HB3  PRO  41           2HB      PRO  41  -0.433 -14.078 -14.194
  320    HG2  PRO  41           1HG      PRO  41  -2.801 -13.915 -12.308
  321    HG3  PRO  41           2HG      PRO  41  -1.517 -15.159 -12.370
  322    HD2  PRO  41           1HD      PRO  41  -1.476 -12.992 -10.653
  323    HD3  PRO  41           2HD      PRO  41   0.010 -13.767 -11.280
  324    H    GLN  42           H        GLN  42  -2.527 -10.832 -11.883
  325    HA   GLN  42           HA       GLN  42  -4.660 -10.063 -13.840
  326    HB2  GLN  42           1HB      GLN  42  -4.802 -10.879 -10.923
  327    HB3  GLN  42           2HB      GLN  42  -6.156 -10.171 -11.815
  328    HG2  GLN  42           1HG      GLN  42  -6.072 -12.002 -13.464
  329    HG3  GLN  42           2HG      GLN  42  -4.714 -12.734 -12.615
  330   HE21  GLN  42          1HE2      GLN  42  -5.092 -13.596 -10.395
  331   HE22  GLN  42          2HE2      GLN  42  -6.731 -14.085  -9.982
  332    H    CYS  43           H        CYS  43  -2.467  -8.628 -11.426
  333    HA   CYS  43           HA       CYS  43  -3.399  -6.011 -12.397
  334    HB2  CYS  43           1HB      CYS  43  -3.659  -5.056 -10.196
  335    HB3  CYS  43           2HB      CYS  43  -4.756  -6.416 -10.384
  336    H    SER  44           H        SER  44  -1.843  -4.353 -10.883
  337    HA   SER  44           HA       SER  44   0.740  -4.741 -12.111
  338    HB2  SER  44           1HB      SER  44   1.269  -2.548 -11.080
  339    HB3  SER  44           2HB      SER  44  -0.233  -2.544 -12.021
  340    HG   SER  44           HG       SER  44  -0.481  -1.507  -9.973
  341    H    TYR  45           H        TYR  45  -0.448  -5.845  -9.128
  342    HA   TYR  45           HA       TYR  45   1.492  -5.461  -7.227
  343    HB2  TYR  45           1HB      TYR  45  -0.643  -6.484  -6.809
  344    HB3  TYR  45           2HB      TYR  45  -0.273  -7.847  -7.842
  345    HD1  TYR  45           1HD      TYR  45   1.538  -9.544  -7.041
  346    HD2  TYR  45           2HD      TYR  45  -0.045  -6.430  -4.499
  347    HE1  TYR  45           1HE      TYR  45   2.361 -10.760  -5.043
  348    HE2  TYR  45           2HE      TYR  45   0.741  -7.690  -2.496
  349    HH   TYR  45           HH       TYR  45   2.423 -10.838  -2.783
  350    H    ALA  46           H        ALA  46   3.347  -6.328  -6.560
  351    HA   ALA  46           HA       ALA  46   4.377  -8.823  -7.663
  352    HB1  ALA  46           1HB      ALA  46   6.521  -7.971  -8.360
  353    HB2  ALA  46           2HB      ALA  46   5.279  -7.007  -9.181
  354    HB3  ALA  46           3HB      ALA  46   6.126  -6.333  -7.778
  355    H    SER  47           H        SER  47   5.682  -9.955  -6.219
  356    HA   SER  47           HA       SER  47   6.577  -8.591  -3.719
  357    HB2  SER  47           1HB      SER  47   5.737 -10.377  -2.353
  358    HB3  SER  47           2HB      SER  47   4.418  -9.728  -3.325
  359    HG   SER  47           HG       SER  47   4.837 -12.182  -3.169
  360    H    ALA  48           H        ALA  48   8.058  -9.919  -2.404
  361    HA   ALA  48           HA       ALA  48  10.048 -11.363  -4.073
  362    HB1  ALA  48           1HB      ALA  48  10.287 -10.120  -1.307
  363    HB2  ALA  48           2HB      ALA  48  11.604 -10.827  -2.266
  364    HB3  ALA  48           3HB      ALA  48  10.789  -9.360  -2.838
  365    H    ILE  49           H        ILE  49   7.425 -12.283  -2.330
  366    HA   ILE  49           HA       ILE  49   8.617 -14.899  -1.550
  367    HB   ILE  49           HB       ILE  49   6.675 -13.296   0.160
  368   HG12  ILE  49          1HG1      ILE  49   9.628 -13.943   0.567
  369   HG13  ILE  49          2HG1      ILE  49   8.921 -12.345   0.322
  370   HG21  ILE  49          1HG2      ILE  49   6.282 -15.755   0.251
  371   HG22  ILE  49          2HG2      ILE  49   7.991 -16.009   0.671
  372   HG23  ILE  49          3HG2      ILE  49   6.887 -15.153   1.771
  373   HD11  ILE  49          3HD1      ILE  49   7.659 -12.611   2.479
  374   HD12  ILE  49          1HD1      ILE  49   8.611 -14.090   2.778
  375   HD13  ILE  49          2HD1      ILE  49   9.427 -12.529   2.630
  376    H    LYS  50           H        LYS  50   7.608 -16.494  -2.517
  377    HA   LYS  50           HA       LYS  50   5.366 -16.171  -4.240
  378    HB2  LYS  50           1HB      LYS  50   7.243 -17.906  -4.321
  379    HB3  LYS  50           2HB      LYS  50   6.375 -18.804  -3.077
  380    HG2  LYS  50           1HG      LYS  50   4.405 -18.976  -4.597
  381    HG3  LYS  50           2HG      LYS  50   5.271 -18.028  -5.821
  382    HD2  LYS  50           1HD      LYS  50   7.022 -19.793  -5.937
  383    HD3  LYS  50           2HD      LYS  50   6.141 -20.739  -4.717
  384    HE2  LYS  50           1HE      LYS  50   4.168 -20.837  -6.230
  385    HE3  LYS  50           2HE      LYS  50   5.050 -19.902  -7.444
  386    HZ1  LYS  50           3HZ      LYS  50   5.852 -22.587  -6.449
  387    HZ2  LYS  50           1HZ      LYS  50   6.669 -21.724  -7.572
  388    HZ3  LYS  50           2HZ      LYS  50   5.173 -22.284  -7.900
  389    H    ALA  51           H        ALA  51   5.509 -17.434  -0.922
  390    HA   ALA  51           HA       ALA  51   2.791 -18.230  -0.679
  391    HB1  ALA  51           1HB      ALA  51   4.712 -17.206   1.457
  392    HB2  ALA  51           2HB      ALA  51   3.232 -18.146   1.733
  393    HB3  ALA  51           3HB      ALA  51   4.594 -18.884   0.873
  394    H    ASN  52           H        ASN  52   4.209 -14.968  -0.579
  395    HA   ASN  52           HA       ASN  52   1.796 -13.758   0.554
  396    HB2  ASN  52           1HB      ASN  52   4.182 -12.896   0.820
  397    HB3  ASN  52           2HB      ASN  52   4.109 -12.378  -0.866
  398   HD21  ASN  52          1HD2      ASN  52   4.606 -10.273   0.355
  399   HD22  ASN  52          2HD2      ASN  52   3.205  -9.354   0.879
  400    H    LEU  53           H        LEU  53   3.207 -14.140  -2.756
  401    HA   LEU  53           HA       LEU  53   1.064 -12.868  -4.155
  402    HB2  LEU  53           1HB      LEU  53   3.196 -13.363  -5.220
  403    HB3  LEU  53           2HB      LEU  53   2.962 -15.094  -4.976
  404    HG   LEU  53           HG       LEU  53   1.012 -15.064  -6.514
  405   HD11  LEU  53          1HD1      LEU  53   1.783 -12.158  -7.025
  406   HD12  LEU  53          2HD1      LEU  53   0.281 -12.708  -6.247
  407   HD13  LEU  53          3HD1      LEU  53   0.585 -13.104  -7.936
  408   HD21  LEU  53          3HD2      LEU  53   3.465 -13.796  -7.764
  409   HD22  LEU  53          1HD2      LEU  53   2.246 -14.797  -8.574
  410   HD23  LEU  53          2HD2      LEU  53   3.308 -15.521  -7.350
  411    H    ASN  54           H        ASN  54   1.455 -16.252  -3.038
  412    HA   ASN  54           HA       ASN  54  -0.910 -17.359  -4.108
  413    HB2  ASN  54           1HB      ASN  54   0.959 -18.618  -3.118
  414    HB3  ASN  54           2HB      ASN  54   0.597 -17.956  -1.530
  415   HD21  ASN  54          1HD2      ASN  54  -0.530 -19.310  -0.214
  416   HD22  ASN  54          2HD2      ASN  54  -1.588 -20.582  -0.791
  417    H    VAL  55           H        VAL  55  -0.552 -15.403  -1.138
  418    HA   VAL  55           HA       VAL  55  -3.417 -15.644  -0.455
  419    HB   VAL  55           HB       VAL  55  -1.189 -13.987   0.739
  420   HG11  VAL  55          1HG1      VAL  55  -4.051 -14.376   1.717
  421   HG12  VAL  55          2HG1      VAL  55  -2.735 -13.653   2.669
  422   HG13  VAL  55          3HG1      VAL  55  -3.304 -12.841   1.212
  423   HG21  VAL  55          3HG2      VAL  55  -0.965 -16.430   1.102
  424   HG22  VAL  55          1HG2      VAL  55  -1.346 -15.588   2.604
  425   HG23  VAL  55          2HG2      VAL  55  -2.618 -16.487   1.742
  426    H    HIS  56           H        HIS  56  -1.317 -13.252  -2.075
  427    HA   HIS  56           HA       HIS  56  -3.297 -11.206  -2.356
  428    HB2  HIS  56           1HB      HIS  56  -0.961 -10.755  -2.784
  429    HB3  HIS  56           2HB      HIS  56  -0.910 -11.962  -4.074
  430    HD1  HIS  56           1HD      HIS  56  -2.646  -8.571  -3.392
  431    HD2  HIS  56           2HD      HIS  56  -1.653 -11.254  -6.473
  432    HE1  HIS  56           1HE      HIS  56  -3.437  -7.481  -5.534
  433    H    LEU  57           H        LEU  57  -2.609 -14.030  -4.484
  434    HA   LEU  57           HA       LEU  57  -4.549 -13.449  -6.496
  435    HB2  LEU  57           1HB      LEU  57  -3.384 -16.010  -5.411
  436    HB3  LEU  57           2HB      LEU  57  -4.461 -16.003  -6.802
  437    HG   LEU  57           HG       LEU  57  -1.880 -14.373  -6.753
  438   HD11  LEU  57          1HD1      LEU  57  -1.376 -16.743  -6.381
  439   HD12  LEU  57          2HD1      LEU  57  -0.872 -16.231  -8.004
  440   HD13  LEU  57          3HD1      LEU  57  -2.360 -17.189  -7.793
  441   HD21  LEU  57          3HD2      LEU  57  -2.117 -14.555  -9.212
  442   HD22  LEU  57          1HD2      LEU  57  -3.463 -13.674  -8.480
  443   HD23  LEU  57          2HD2      LEU  57  -3.681 -15.366  -9.003
  444    H    ARG  58           H        ARG  58  -4.960 -14.962  -3.330
  445    HA   ARG  58           HA       ARG  58  -7.747 -15.701  -3.667
  446    HB2  ARG  58           1HB      ARG  58  -6.046 -15.224  -1.192
  447    HB3  ARG  58           2HB      ARG  58  -7.719 -15.763  -1.123
  448    HG2  ARG  58           1HG      ARG  58  -7.264 -17.807  -2.222
  449    HG3  ARG  58           2HG      ARG  58  -5.666 -17.281  -2.767
  450    HD2  ARG  58           1HD      ARG  58  -4.760 -17.359  -0.528
  451    HD3  ARG  58           2HD      ARG  58  -6.368 -17.537   0.177
  452    HE   ARG  58           HE       ARG  58  -6.244 -19.796  -0.124
  453   HH11  ARG  58          2HH1      ARG  58  -3.928 -18.452  -2.399
  454   HH12  ARG  58          1HH1      ARG  58  -3.368 -20.020  -2.884
  455   HH21  ARG  58          2HH2      ARG  58  -5.516 -21.767  -0.841
  456   HH22  ARG  58          1HH2      ARG  58  -4.319 -21.843  -2.102
  457    H    LYS  59           H        LYS  59  -6.394 -12.567  -3.423
  458    HA   LYS  59           HA       LYS  59  -8.918 -11.318  -2.493
  459    HB2  LYS  59           1HB      LYS  59  -6.451  -9.950  -3.632
  460    HB3  LYS  59           2HB      LYS  59  -7.803  -9.210  -2.779
  461    HG2  LYS  59           1HG      LYS  59  -7.195 -10.586  -0.743
  462    HG3  LYS  59           2HG      LYS  59  -5.734 -11.111  -1.605
  463    HD2  LYS  59           1HD      LYS  59  -4.995  -8.761  -1.814
  464    HD3  LYS  59           2HD      LYS  59  -6.460  -8.225  -0.959
  465    HE2  LYS  59           1HE      LYS  59  -5.794  -9.620   1.008
  466    HE3  LYS  59           2HE      LYS  59  -4.306 -10.075   0.168
  467    HZ1  LYS  59           3HZ      LYS  59  -5.057  -7.300   0.933
  468    HZ2  LYS  59           1HZ      LYS  59  -3.677  -7.709   0.159
  469    HZ3  LYS  59           2HZ      LYS  59  -3.940  -8.213   1.688
  470    H    HIS  60           H        HIS  60  -7.654 -12.432  -5.494
  471    HA   HIS  60           HA       HIS  60  -9.253 -10.610  -7.161
  472    HB2  HIS  60           1HB      HIS  60  -7.310 -12.851  -7.767
  473    HB3  HIS  60           2HB      HIS  60  -8.307 -12.123  -9.006
  474    HD1  HIS  60           1HD      HIS  60  -8.086  -9.294  -9.152
  475    HD2  HIS  60           2HD      HIS  60  -4.988 -11.624  -7.477
  476    HE1  HIS  60           1HE      HIS  60  -6.018  -7.835  -9.205
  477    H    THR  61           H        THR  61 -11.057 -11.564  -5.572
  478    HA   THR  61           HA       THR  61 -12.487 -13.844  -6.824
  479    HB   THR  61           HB       THR  61 -14.194 -13.361  -5.027
  480    HG1  THR  61           1HG      THR  61 -13.622 -11.236  -4.519
  481   HG21  THR  61          3HG2      THR  61 -12.856 -14.342  -3.220
  482   HG22  THR  61          1HG2      THR  61 -11.356 -13.950  -4.088
  483   HG23  THR  61          2HG2      THR  61 -12.498 -15.132  -4.765
  484    H    GLY  62           H        GLY  62 -14.487 -13.679  -7.849
  485    HA2  GLY  62           1HA      GLY  62 -16.204 -12.740  -9.053
  486    HA3  GLY  62           2HA      GLY  62 -15.979 -11.244  -8.145
  487    H    GLU  63           H        GLU  63 -13.219 -12.406  -9.959
  488    HA   GLU  63           HA       GLU  63 -13.190 -10.080 -11.691
  489    HB2  GLU  63           1HB      GLU  63 -11.445 -12.567 -11.510
  490    HB3  GLU  63           2HB      GLU  63 -11.090 -11.209 -12.566
  491    HG2  GLU  63           1HG      GLU  63 -11.312 -10.955  -9.543
  492    HG3  GLU  63           2HG      GLU  63  -9.825 -11.325 -10.408
  493    H    LYS  64           H        LYS  64 -12.655 -10.389 -13.957
  494    HA   LYS  64           HA       LYS  64 -14.746 -11.968 -15.333
  495    HB2  LYS  64           1HB      LYS  64 -12.956  -9.696 -16.172
  496    HB3  LYS  64           2HB      LYS  64 -13.531 -10.815 -17.409
  497    HG2  LYS  64           1HG      LYS  64 -15.876 -10.480 -16.621
  498    HG3  LYS  64           2HG      LYS  64 -15.299  -9.207 -15.523
  499    HD2  LYS  64           1HD      LYS  64 -14.497  -7.885 -17.432
  500    HD3  LYS  64           2HD      LYS  64 -14.837  -9.224 -18.541
  501    HE2  LYS  64           1HE      LYS  64 -17.287  -9.058 -17.768
  502    HE3  LYS  64           2HE      LYS  64 -16.845  -7.514 -17.023
  503    HZ1  LYS  64           3HZ      LYS  64 -16.575  -8.224 -19.901
  504    HZ2  LYS  64           1HZ      LYS  64 -16.112  -6.781 -19.264
  505    HZ3  LYS  64           2HZ      LYS  64 -17.693  -7.203 -19.282
  506    H    PHE  65           H        PHE  65 -14.542 -13.467 -16.790
  507    HA   PHE  65           HA       PHE  65 -11.900 -14.679 -17.455
  508    HB2  PHE  65           1HB      PHE  65 -14.568 -16.111 -17.137
  509    HB3  PHE  65           2HB      PHE  65 -13.011 -16.839 -17.501
  510    HD1  PHE  65           2HD      PHE  65 -11.275 -17.086 -15.729
  511    HD2  PHE  65           1HD      PHE  65 -15.147 -15.398 -14.872
  512    HE1  PHE  65           2HE      PHE  65 -10.846 -17.332 -13.294
  513    HE2  PHE  65           1HE      PHE  65 -14.724 -15.654 -12.440
  514    HZ   PHE  65           HZ       PHE  65 -12.567 -16.605 -11.646
  515    H    ALA  66           H        ALA  66 -11.732 -15.405 -19.661
  516    HA   ALA  66           HA       ALA  66 -13.687 -14.112 -21.520
  517    HB1  ALA  66           1HB      ALA  66 -11.775 -13.429 -22.867
  518    HB2  ALA  66           2HB      ALA  66 -11.600 -12.814 -21.210
  519    HB3  ALA  66           3HB      ALA  66 -10.656 -14.225 -21.739
  520    H    CYS  67           H        CYS  67 -14.215 -15.053 -23.406
  521    HA   CYS  67           HA       CYS  67 -14.061 -17.894 -23.666
  522    HB2  CYS  67           1HB      CYS  67 -15.922 -16.427 -24.349
  523    HB3  CYS  67           2HB      CYS  67 -14.914 -15.737 -25.628
  524    H    ASP  68           H        ASP  68 -13.032 -19.183 -25.102
  525    HA   ASP  68           HA       ASP  68 -10.419 -18.251 -26.143
  526    HB2  ASP  68           1HB      ASP  68 -10.681 -20.325 -24.730
  527    HB3  ASP  68           2HB      ASP  68 -11.577 -21.057 -26.060
  528    H    TYR  69           H        TYR  69 -13.569 -18.567 -27.310
  529    HA   TYR  69           HA       TYR  69 -12.713 -19.119 -30.131
  530    HB2  TYR  69           1HB      TYR  69 -15.316 -19.770 -28.744
  531    HB3  TYR  69           2HB      TYR  69 -14.881 -20.209 -30.389
  532    HD1  TYR  69           1HD      TYR  69 -12.866 -21.797 -30.721
  533    HD2  TYR  69           2HD      TYR  69 -14.807 -21.183 -26.918
  534    HE1  TYR  69           1HE      TYR  69 -11.906 -23.939 -29.888
  535    HE2  TYR  69           2HE      TYR  69 -13.862 -23.344 -26.092
  536    HH   TYR  69           HH       TYR  69 -11.682 -25.349 -28.110
  537    H    CYS  70           H        CYS  70 -14.296 -16.760 -28.135
  538    HA   CYS  70           HA       CYS  70 -14.636 -15.035 -30.457
  539    HB2  CYS  70           1HB      CYS  70 -16.925 -14.474 -30.149
  540    HB3  CYS  70           2HB      CYS  70 -16.807 -16.212 -30.342
  541    H    SER  71           H        SER  71 -15.851 -12.884 -29.376
  542    HA   SER  71           HA       SER  71 -13.830 -11.810 -27.559
  543    HB2  SER  71           1HB      SER  71 -16.261 -10.466 -28.786
  544    HB3  SER  71           2HB      SER  71 -14.895  -9.661 -27.992
  545    HG   SER  71           HG       SER  71 -14.681  -9.675 -30.279
  546    H    PHE  72           H        PHE  72 -16.541 -13.555 -26.786
  547    HA   PHE  72           HA       PHE  72 -17.918 -11.959 -24.890
  548    HB2  PHE  72           1HB      PHE  72 -18.812 -13.995 -25.883
  549    HB3  PHE  72           2HB      PHE  72 -17.563 -14.958 -25.110
  550    HD1  PHE  72           1HD      PHE  72 -20.659 -12.985 -24.492
  551    HD2  PHE  72           2HD      PHE  72 -17.743 -15.691 -22.832
  552    HE1  PHE  72           1HE      PHE  72 -22.152 -13.408 -22.550
  553    HE2  PHE  72           2HE      PHE  72 -19.243 -16.123 -20.898
  554    HZ   PHE  72           HZ       PHE  72 -21.450 -14.980 -20.756
  555    H    THR  73           H        THR  73 -17.865 -11.722 -22.702
  556    HA   THR  73           HA       THR  73 -15.850 -13.128 -21.079
  557    HB   THR  73           HB       THR  73 -15.251 -11.127 -19.808
  558    HG1  THR  73           1HG      THR  73 -16.535  -9.704 -21.896
  559   HG21  THR  73          3HG2      THR  73 -13.753 -11.800 -21.652
  560   HG22  THR  73          1HG2      THR  73 -13.732 -10.054 -21.361
  561   HG23  THR  73          2HG2      THR  73 -14.617 -10.712 -22.755
  562    H    CYS  74           H        CYS  74 -16.410 -13.408 -18.905
  563    HA   CYS  74           HA       CYS  74 -18.927 -12.244 -17.898
  564    HB2  CYS  74           1HB      CYS  74 -19.499 -14.379 -19.132
  565    HB3  CYS  74           2HB      CYS  74 -18.552 -15.271 -17.923
  566    HG   CYS  74           HG       CYS  74 -21.230 -15.368 -17.518
  567    H    LEU  75           H        LEU  75 -19.216 -12.552 -15.579
  568    HA   LEU  75           HA       LEU  75 -16.657 -12.424 -14.141
  569    HB2  LEU  75           1HB      LEU  75 -19.522 -11.768 -13.383
  570    HB3  LEU  75           2HB      LEU  75 -18.212 -11.795 -12.215
  571    HG   LEU  75           HG       LEU  75 -16.964 -10.094 -13.584
  572   HD11  LEU  75          1HD1      LEU  75 -18.097 -10.218 -15.758
  573   HD12  LEU  75          2HD1      LEU  75 -18.346  -8.623 -15.059
  574   HD13  LEU  75          3HD1      LEU  75 -19.657  -9.822 -15.002
  575   HD21  LEU  75          3HD2      LEU  75 -18.320  -8.223 -12.727
  576   HD22  LEU  75          1HD2      LEU  75 -18.232  -9.535 -11.545
  577   HD23  LEU  75          2HD2      LEU  75 -19.710  -9.314 -12.509
  578    H    SER  76           H        SER  76 -18.186 -15.056 -15.068
  579    HA   SER  76           HA       SER  76 -17.274 -16.631 -12.726
  580    HB2  SER  76           1HB      SER  76 -19.608 -16.503 -12.269
  581    HB3  SER  76           2HB      SER  76 -20.037 -16.791 -13.964
  582    HG   SER  76           HG       SER  76 -20.140 -18.642 -12.411
  583    H    LYS  77           H        LYS  77 -16.075 -18.311 -13.318
  584    HA   LYS  77           HA       LYS  77 -15.627 -19.004 -16.093
  585    HB2  LYS  77           1HB      LYS  77 -14.103 -20.656 -15.296
  586    HB3  LYS  77           2HB      LYS  77 -13.864 -19.159 -14.403
  587    HG2  LYS  77           1HG      LYS  77 -15.076 -20.117 -12.449
  588    HG3  LYS  77           2HG      LYS  77 -15.412 -21.584 -13.373
  589    HD2  LYS  77           1HD      LYS  77 -13.570 -22.093 -11.945
  590    HD3  LYS  77           2HD      LYS  77 -12.976 -22.013 -13.597
  591    HE2  LYS  77           1HE      LYS  77 -11.334 -20.938 -12.291
  592    HE3  LYS  77           2HE      LYS  77 -12.187 -19.636 -13.120
  593    HZ1  LYS  77           3HZ      LYS  77 -13.444 -19.257 -11.046
  594    HZ2  LYS  77           1HZ      LYS  77 -11.839 -19.165 -10.746
  595    HZ3  LYS  77           2HZ      LYS  77 -12.671 -20.494 -10.307
  596    H    GLY  78           H        GLY  78 -17.874 -20.181 -13.692
  597    HA2  GLY  78           1HA      GLY  78 -18.628 -22.652 -15.041
  598    HA3  GLY  78           2HA      GLY  78 -19.542 -21.786 -13.796
  599    H    HIS  79           H        HIS  79 -19.963 -19.301 -14.965
  600    HA   HIS  79           HA       HIS  79 -22.023 -19.789 -16.923
  601    HB2  HIS  79           1HB      HIS  79 -21.894 -17.905 -15.256
  602    HB3  HIS  79           2HB      HIS  79 -20.658 -17.162 -16.270
  603    HD1  HIS  79           1HD      HIS  79 -22.281 -17.805 -19.105
  604    HD2  HIS  79           2HD      HIS  79 -23.746 -16.078 -15.562
  605    HE1  HIS  79           1HE      HIS  79 -24.299 -16.394 -19.781
  606    H    LEU  80           H        LEU  80 -18.594 -18.747 -17.229
  607    HA   LEU  80           HA       LEU  80 -18.649 -18.398 -20.063
  608    HB2  LEU  80           1HB      LEU  80 -16.852 -17.548 -18.601
  609    HB3  LEU  80           2HB      LEU  80 -16.373 -19.206 -18.219
  610    HG   LEU  80           HG       LEU  80 -15.776 -19.602 -20.598
  611   HD11  LEU  80          1HD1      LEU  80 -17.265 -17.993 -21.725
  612   HD12  LEU  80          2HD1      LEU  80 -15.590 -17.655 -22.118
  613   HD13  LEU  80          3HD1      LEU  80 -16.424 -16.635 -20.929
  614   HD21  LEU  80          3HD2      LEU  80 -14.468 -17.113 -19.471
  615   HD22  LEU  80          1HD2      LEU  80 -13.761 -18.293 -20.598
  616   HD23  LEU  80          2HD2      LEU  80 -14.116 -18.775 -18.935
  617    H    LYS  81           H        LYS  81 -17.960 -21.352 -18.096
  618    HA   LYS  81           HA       LYS  81 -17.490 -23.115 -20.284
  619    HB2  LYS  81           1HB      LYS  81 -17.133 -23.580 -17.813
  620    HB3  LYS  81           2HB      LYS  81 -18.880 -23.815 -17.668
  621    HG2  LYS  81           1HG      LYS  81 -18.690 -25.639 -19.439
  622    HG3  LYS  81           2HG      LYS  81 -16.947 -25.392 -19.427
  623    HD2  LYS  81           1HD      LYS  81 -17.408 -27.297 -18.038
  624    HD3  LYS  81           2HD      LYS  81 -16.900 -25.972 -16.996
  625    HE2  LYS  81           1HE      LYS  81 -18.709 -27.019 -15.880
  626    HE3  LYS  81           2HE      LYS  81 -19.352 -25.502 -16.508
  627    HZ1  LYS  81           3HZ      LYS  81 -20.862 -27.357 -16.927
  628    HZ2  LYS  81           1HZ      LYS  81 -19.727 -28.177 -17.758
  629    HZ3  LYS  81           2HZ      LYS  81 -20.344 -26.794 -18.369
  630    H    VAL  82           H        VAL  82 -20.592 -22.231 -18.712
  631    HA   VAL  82           HA       VAL  82 -22.280 -23.748 -20.451
  632    HB   VAL  82           HB       VAL  82 -22.812 -21.246 -18.814
  633   HG11  VAL  82          1HG1      VAL  82 -24.819 -22.993 -20.300
  634   HG12  VAL  82          2HG1      VAL  82 -25.233 -21.796 -19.052
  635   HG13  VAL  82          3HG1      VAL  82 -24.510 -21.257 -20.568
  636   HG21  VAL  82          3HG2      VAL  82 -23.952 -22.819 -17.311
  637   HG22  VAL  82          1HG2      VAL  82 -23.599 -24.169 -18.415
  638   HG23  VAL  82          2HG2      VAL  82 -22.284 -23.347 -17.557
  639    H    HIS  83           H        HIS  83 -21.071 -20.360 -20.850
  640    HA   HIS  83           HA       HIS  83 -22.368 -19.851 -23.346
  641    HB2  HIS  83           1HB      HIS  83 -21.336 -18.019 -22.250
  642    HB3  HIS  83           2HB      HIS  83 -19.794 -18.844 -22.101
  643    HD1  HIS  83           1HD      HIS  83 -21.851 -16.973 -24.742
  644    HD2  HIS  83           2HD      HIS  83 -18.107 -18.784 -24.161
  645    HE1  HIS  83           1HE      HIS  83 -20.454 -16.335 -26.760
  646    H    ILE  84           H        ILE  84 -19.158 -21.381 -22.721
  647    HA   ILE  84           HA       ILE  84 -18.565 -21.838 -25.482
  648    HB   ILE  84           HB       ILE  84 -17.537 -23.161 -22.956
  649   HG12  ILE  84          1HG1      ILE  84 -16.222 -21.150 -24.849
  650   HG13  ILE  84          2HG1      ILE  84 -17.071 -20.685 -23.385
  651   HG21  ILE  84          1HG2      ILE  84 -16.518 -23.468 -25.820
  652   HG22  ILE  84          2HG2      ILE  84 -15.676 -24.048 -24.365
  653   HG23  ILE  84          3HG2      ILE  84 -17.220 -24.750 -24.797
  654   HD11  ILE  84          3HD1      ILE  84 -14.528 -22.334 -23.504
  655   HD12  ILE  84          1HD1      ILE  84 -14.739 -20.687 -22.899
  656   HD13  ILE  84          2HD1      ILE  84 -15.480 -22.042 -22.024
  657    H    GLU  85           H        GLU  85 -20.097 -24.019 -23.089
  658    HA   GLU  85           HA       GLU  85 -20.518 -26.208 -24.850
  659    HB2  GLU  85           1HB      GLU  85 -21.964 -25.256 -22.351
  660    HB3  GLU  85           2HB      GLU  85 -22.395 -26.751 -23.181
  661    HG2  GLU  85           1HG      GLU  85 -20.150 -27.649 -22.891
  662    HG3  GLU  85           2HG      GLU  85 -19.598 -26.170 -22.120
  663    H    ARG  86           H        ARG  86 -22.564 -23.320 -24.331
  664    HA   ARG  86           HA       ARG  86 -24.735 -24.373 -26.001
  665    HB2  ARG  86           1HB      ARG  86 -24.310 -21.766 -24.557
  666    HB3  ARG  86           2HB      ARG  86 -25.691 -22.072 -25.625
  667    HG2  ARG  86           1HG      ARG  86 -26.324 -24.080 -24.323
  668    HG3  ARG  86           2HG      ARG  86 -24.923 -23.856 -23.266
  669    HD2  ARG  86           1HD      ARG  86 -26.797 -23.008 -22.123
  670    HD3  ARG  86           2HD      ARG  86 -25.797 -21.627 -22.636
  671    HE   ARG  86           HE       ARG  86 -27.832 -22.148 -24.595
  672   HH11  ARG  86          2HH1      ARG  86 -27.608 -20.810 -21.367
  673   HH12  ARG  86          1HH1      ARG  86 -29.021 -19.814 -21.582
  674   HH21  ARG  86          2HH2      ARG  86 -29.624 -20.848 -24.807
  675   HH22  ARG  86          1HH2      ARG  86 -30.130 -19.845 -23.481
  676    H    VAL  87           H        VAL  87 -22.133 -22.008 -26.489
  677    HA   VAL  87           HA       VAL  87 -23.260 -21.250 -29.133
  678    HB   VAL  87           HB       VAL  87 -21.021 -19.969 -27.531
  679   HG11  VAL  87          1HG1      VAL  87 -22.567 -18.972 -29.962
  680   HG12  VAL  87          2HG1      VAL  87 -21.428 -18.010 -28.996
  681   HG13  VAL  87          3HG1      VAL  87 -20.841 -19.394 -29.912
  682   HG21  VAL  87          3HG2      VAL  87 -22.736 -18.211 -27.049
  683   HG22  VAL  87          1HG2      VAL  87 -23.970 -19.218 -27.832
  684   HG23  VAL  87          2HG2      VAL  87 -23.178 -19.761 -26.337
  685    H    HIS  88           H        HIS  88 -20.310 -22.790 -27.832
  686    HA   HIS  88           HA       HIS  88 -19.197 -22.879 -30.612
  687    HB2  HIS  88           1HB      HIS  88 -17.744 -22.894 -27.957
  688    HB3  HIS  88           2HB      HIS  88 -17.007 -22.879 -29.556
  689    HD1  HIS  88           1HD      HIS  88 -17.932 -20.537 -31.080
  690    HD2  HIS  88           2HD      HIS  88 -17.859 -20.547 -26.885
  691    HE1  HIS  88           1HE      HIS  88 -17.907 -18.094 -30.379
  692    H    LYS  89           H        LYS  89 -20.151 -24.966 -27.971
  693    HA   LYS  89           HA       LYS  89 -19.065 -27.354 -29.410
  694    HB2  LYS  89           1HB      LYS  89 -20.291 -27.286 -26.654
  695    HB3  LYS  89           2HB      LYS  89 -19.420 -28.612 -27.394
  696    HG2  LYS  89           1HG      LYS  89 -18.205 -25.951 -26.555
  697    HG3  LYS  89           2HG      LYS  89 -18.061 -27.479 -25.699
  698    HD2  LYS  89           1HD      LYS  89 -16.795 -28.456 -27.566
  699    HD3  LYS  89           2HD      LYS  89 -16.994 -26.963 -28.513
  700    HE2  LYS  89           1HE      LYS  89 -15.799 -25.675 -26.784
  701    HE3  LYS  89           2HE      LYS  89 -15.586 -27.138 -25.814
  702    HZ1  LYS  89           3HZ      LYS  89 -13.628 -26.578 -27.202
  703    HZ2  LYS  89           1HZ      LYS  89 -14.502 -26.787 -28.559
  704    HZ3  LYS  89           2HZ      LYS  89 -14.218 -28.062 -27.573
  705    H    LYS  90           H        LYS  90 -20.507 -29.292 -29.273
  706    HA   LYS  90           HA       LYS  90 -23.317 -28.640 -30.091
  707    HB2  LYS  90           1HB      LYS  90 -21.654 -31.107 -30.737
  708    HB3  LYS  90           2HB      LYS  90 -23.307 -30.811 -31.260
  709    HG2  LYS  90           1HG      LYS  90 -20.853 -29.198 -32.092
  710    HG3  LYS  90           2HG      LYS  90 -21.700 -30.407 -33.057
  711    HD2  LYS  90           1HD      LYS  90 -23.760 -28.985 -33.008
  712    HD3  LYS  90           2HD      LYS  90 -22.849 -27.735 -32.128
  713    HE2  LYS  90           1HE      LYS  90 -21.224 -27.599 -33.994
  714    HE3  LYS  90           2HE      LYS  90 -22.120 -28.843 -34.873
  715    HZ1  LYS  90           3HZ      LYS  90 -22.740 -26.619 -35.617
  716    HZ2  LYS  90           1HZ      LYS  90 -23.208 -26.182 -34.119
  717    HZ3  LYS  90           2HZ      LYS  90 -24.034 -27.334 -34.932
  718    H    ILE  91           H        ILE  91 -25.017 -29.735 -29.238
  719    HA   ILE  91           HA       ILE  91 -24.583 -31.378 -26.775
  720    HB   ILE  91           HB       ILE  91 -26.513 -29.055 -27.129
  721   HG12  ILE  91          1HG1      ILE  91 -24.230 -28.240 -26.720
  722   HG13  ILE  91          2HG1      ILE  91 -25.321 -27.874 -25.407
  723   HG21  ILE  91          1HG2      ILE  91 -27.616 -30.706 -25.767
  724   HG22  ILE  91          2HG2      ILE  91 -26.162 -30.956 -24.777
  725   HG23  ILE  91          3HG2      ILE  91 -27.053 -29.421 -24.704
  726   HD11  ILE  91          3HD1      ILE  91 -23.071 -28.559 -24.628
  727   HD12  ILE  91          1HD1      ILE  91 -24.338 -29.624 -24.003
  728   HD13  ILE  91          2HD1      ILE  91 -23.299 -30.160 -25.342
  729    H    LYS  92           H        LYS  92 -26.015 -33.009 -26.437
  730    HA   LYS  92           HA       LYS  92 -28.373 -33.403 -28.183
  731    HB2  LYS  92           1HB      LYS  92 -26.431 -34.494 -29.308
  732    HB3  LYS  92           2HB      LYS  92 -26.175 -35.494 -27.870
  733    HG2  LYS  92           1HG      LYS  92 -28.465 -36.448 -28.142
  734    HG3  LYS  92           2HG      LYS  92 -28.706 -35.457 -29.587
  735    HD2  LYS  92           1HD      LYS  92 -26.561 -37.603 -29.247
  736    HD3  LYS  92           2HD      LYS  92 -28.109 -37.825 -30.074
  737    HE2  LYS  92           1HE      LYS  92 -27.495 -36.031 -31.696
  738    HE3  LYS  92           2HE      LYS  92 -25.923 -35.863 -30.903
  739    HZ1  LYS  92           3HZ      LYS  92 -25.452 -38.182 -31.490
  740    HZ2  LYS  92           1HZ      LYS  92 -25.780 -37.319 -32.836
  741    HZ3  LYS  92           2HZ      LYS  92 -26.902 -38.335 -32.229
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1   7.621  39.098  13.497
    2    H2   GLY   1           2H       GLY   1   6.127  39.677  13.848
    3    H3   GLY   1           3H       GLY   1   6.450  39.087  12.353
    4    HA2  GLY   1           1HA      GLY   1   6.421  37.504  14.840
    5    HA3  GLY   1           2HA      GLY   1   5.140  37.504  13.611
    6    H    SER   2           H        SER   2   6.970  35.366  14.642
    7    HA   SER   2           HA       SER   2   8.158  33.575  13.992
    8    HB2  SER   2           1HB      SER   2   7.160  34.163  11.191
    9    HB3  SER   2           2HB      SER   2   7.855  32.641  11.763
   10    HG   SER   2           HG       SER   2   5.553  32.633  11.812
   11    H    SER   3           H        SER   3   9.941  32.650  12.578
   12    HA   SER   3           HA       SER   3  11.804  34.606  11.416
   13    HB2  SER   3           1HB      SER   3  12.250  34.568  13.911
   14    HB3  SER   3           2HB      SER   3  12.701  32.861  13.739
   15    HG   SER   3           HG       SER   3  14.508  34.303  13.595
   16    H    GLY   4           H        GLY   4  13.540  33.613  10.251
   17    HA2  GLY   4           1HA      GLY   4  12.784  31.128   8.896
   18    HA3  GLY   4           2HA      GLY   4  14.144  32.174   8.513
   19    H    SER   5           H        SER   5  14.471  29.504   8.357
   20    HA   SER   5           HA       SER   5  16.646  29.037  10.274
   21    HB2  SER   5           1HB      SER   5  14.596  28.000  11.321
   22    HB3  SER   5           2HB      SER   5  14.490  26.920   9.916
   23    HG   SER   5           HG       SER   5  15.663  26.008  11.700
   24    H    SER   6           H        SER   6  18.202  27.549   9.517
   25    HA   SER   6           HA       SER   6  18.462  27.458   6.626
   26    HB2  SER   6           1HB      SER   6  20.245  26.296   8.796
   27    HB3  SER   6           2HB      SER   6  20.661  26.469   7.079
   28    HG   SER   6           HG       SER   6  21.459  28.214   8.354
   29    H    GLY   7           H        GLY   7  18.633  25.687   5.252
   30    HA2  GLY   7           1HA      GLY   7  18.717  22.962   5.885
   31    HA3  GLY   7           2HA      GLY   7  17.004  23.377   5.799
   32    H    LYS   8           H        LYS   8  17.463  21.601   4.114
   33    HA   LYS   8           HA       LYS   8  17.385  22.859   1.438
   34    HB2  LYS   8           1HB      LYS   8  19.719  22.111   1.656
   35    HB3  LYS   8           2HB      LYS   8  19.195  20.496   2.153
   36    HG2  LYS   8           1HG      LYS   8  18.200  20.090  -0.017
   37    HG3  LYS   8           2HG      LYS   8  18.545  21.752  -0.548
   38    HD2  LYS   8           1HD      LYS   8  20.976  21.236  -0.400
   39    HD3  LYS   8           2HD      LYS   8  20.592  19.582   0.090
   40    HE2  LYS   8           1HE      LYS   8  19.852  20.931  -2.551
   41    HE3  LYS   8           2HE      LYS   8  21.101  19.707  -2.320
   42    HZ1  LYS   8           3HZ      LYS   8  18.168  19.277  -1.987
   43    HZ2  LYS   8           1HZ      LYS   8  19.307  18.152  -1.647
   44    HZ3  LYS   8           2HZ      LYS   8  19.110  18.683  -3.181
   45    H    ILE   9           H        ILE   9  16.294  21.631  -0.124
   46    HA   ILE   9           HA       ILE   9  14.320  19.666   0.947
   47    HB   ILE   9           HB       ILE   9  14.053  21.536  -1.437
   48   HG12  ILE   9          1HG1      ILE   9  12.725  21.742   1.313
   49   HG13  ILE   9          2HG1      ILE   9  14.081  22.741   0.805
   50   HG21  ILE   9          1HG2      ILE   9  12.056  19.702  -0.067
   51   HG22  ILE   9          2HG2      ILE   9  11.671  20.842  -1.376
   52   HG23  ILE   9          3HG2      ILE   9  12.739  19.495  -1.703
   53   HD11  ILE   9          3HD1      ILE   9  12.734  23.650  -1.071
   54   HD12  ILE   9          1HD1      ILE   9  11.308  22.811  -0.400
   55   HD13  ILE   9          2HD1      ILE   9  12.140  24.051   0.552
   56    H    PHE  10           H        PHE  10  13.966  17.780  -0.143
   57    HA   PHE  10           HA       PHE  10  15.768  17.017  -2.411
   58    HB2  PHE  10           1HB      PHE  10  15.109  15.438   0.112
   59    HB3  PHE  10           2HB      PHE  10  15.980  14.808  -1.272
   60    HD1  PHE  10           1HD      PHE  10  16.165  17.222   1.554
   61    HD2  PHE  10           2HD      PHE  10  18.319  15.262  -1.627
   62    HE1  PHE  10           1HE      PHE  10  18.308  18.022   2.516
   63    HE2  PHE  10           2HE      PHE  10  20.467  16.047  -0.650
   64    HZ   PHE  10           HZ       PHE  10  20.465  17.426   1.417
   65    H    THR  11           H        THR  11  14.779  15.759  -4.030
   66    HA   THR  11           HA       THR  11  11.875  15.142  -3.673
   67    HB   THR  11           HB       THR  11  13.155  16.501  -6.065
   68    HG1  THR  11           1HG      THR  11  12.107  18.330  -5.322
   69   HG21  THR  11          3HG2      THR  11  11.130  15.260  -6.678
   70   HG22  THR  11          1HG2      THR  11  10.796  16.993  -6.688
   71   HG23  THR  11          2HG2      THR  11  10.240  15.996  -5.325
   72    H    CYS  12           H        CYS  12  11.121  13.328  -4.520
   73    HA   CYS  12           HA       CYS  12  12.862  11.336  -5.780
   74    HB2  CYS  12           1HB      CYS  12  11.237  10.742  -4.064
   75    HB3  CYS  12           2HB      CYS  12   9.918  11.426  -5.031
   76    H    GLU  13           H        GLU  13  13.160  11.136  -7.929
   77    HA   GLU  13           HA       GLU  13  11.488  12.640  -9.830
   78    HB2  GLU  13           1HB      GLU  13  13.031  11.934 -11.523
   79    HB3  GLU  13           2HB      GLU  13  13.884  12.655 -10.172
   80    HG2  GLU  13           1HG      GLU  13  13.615   9.635 -10.324
   81    HG3  GLU  13           2HG      GLU  13  14.750  10.463 -11.373
   82    H    TYR  14           H        TYR  14  11.100   9.634  -8.381
   83    HA   TYR  14           HA       TYR  14   9.912   8.333 -10.780
   84    HB2  TYR  14           1HB      TYR  14  10.477   7.288  -8.003
   85    HB3  TYR  14           2HB      TYR  14   9.796   6.349  -9.316
   86    HD1  TYR  14           2HD      TYR  14  11.167   5.668 -11.253
   87    HD2  TYR  14           1HD      TYR  14  12.860   7.856  -7.941
   88    HE1  TYR  14           2HE      TYR  14  13.462   5.025 -11.994
   89    HE2  TYR  14           1HE      TYR  14  15.146   7.223  -8.689
   90    HH   TYR  14           HH       TYR  14  16.401   6.081 -10.233
   91    H    CYS  15           H        CYS  15   8.883   9.698  -7.662
   92    HA   CYS  15           HA       CYS  15   6.070   9.446  -8.572
   93    HB2  CYS  15           1HB      CYS  15   5.284   8.673  -6.464
   94    HB3  CYS  15           2HB      CYS  15   6.476   7.555  -7.117
   95    H    ASN  16           H        ASN  16   8.242  11.674  -8.002
   96    HA   ASN  16           HA       ASN  16   8.272  13.846  -7.518
   97    HB2  ASN  16           1HB      ASN  16   6.463  13.635  -9.287
   98    HB3  ASN  16           2HB      ASN  16   5.287  13.849  -7.992
   99   HD21  ASN  16          1HD2      ASN  16   4.559  15.795  -9.089
  100   HD22  ASN  16          2HD2      ASN  16   5.524  17.261  -8.998
  101    H    LYS  17           H        LYS  17   7.812  12.066  -5.180
  102    HA   LYS  17           HA       LYS  17   6.487  13.757  -3.172
  103    HB2  LYS  17           1HB      LYS  17   8.181  11.242  -3.039
  104    HB3  LYS  17           2HB      LYS  17   7.644  12.107  -1.584
  105    HG2  LYS  17           1HG      LYS  17   5.291  11.801  -2.216
  106    HG3  LYS  17           2HG      LYS  17   5.797  11.016  -3.725
  107    HD2  LYS  17           1HD      LYS  17   7.061   9.319  -2.286
  108    HD3  LYS  17           2HD      LYS  17   6.323  10.054  -0.868
  109    HE2  LYS  17           1HE      LYS  17   5.194   8.008  -1.557
  110    HE3  LYS  17           2HE      LYS  17   4.101   9.397  -1.611
  111    HZ1  LYS  17           3HZ      LYS  17   4.256   9.441  -3.977
  112    HZ2  LYS  17           1HZ      LYS  17   4.025   7.864  -3.615
  113    HZ3  LYS  17           2HZ      LYS  17   5.520   8.425  -4.038
  114    H    VAL  18           H        VAL  18   7.486  14.754  -1.454
  115    HA   VAL  18           HA       VAL  18  10.272  15.740  -1.938
  116    HB   VAL  18           HB       VAL  18   7.902  17.366  -0.958
  117   HG11  VAL  18          1HG1      VAL  18   9.997  18.164   0.060
  118   HG12  VAL  18          2HG1      VAL  18  10.793  18.131  -1.532
  119   HG13  VAL  18          3HG1      VAL  18   9.488  19.288  -1.199
  120   HG21  VAL  18          3HG2      VAL  18   7.768  16.957  -3.397
  121   HG22  VAL  18          1HG2      VAL  18   8.202  18.634  -3.069
  122   HG23  VAL  18          2HG2      VAL  18   9.455  17.486  -3.582
  123    H    PHE  19           H        PHE  19  11.613  15.883  -0.278
  124    HA   PHE  19           HA       PHE  19  10.784  14.960   2.433
  125    HB2  PHE  19           1HB      PHE  19  13.169  14.006   0.798
  126    HB3  PHE  19           2HB      PHE  19  12.775  13.511   2.437
  127    HD1  PHE  19           2HD      PHE  19  10.853  11.996   2.889
  128    HD2  PHE  19           1HD      PHE  19  11.936  13.124  -1.127
  129    HE1  PHE  19           2HE      PHE  19   9.341  10.243   1.987
  130    HE2  PHE  19           1HE      PHE  19  10.429  11.368  -2.025
  131    HZ   PHE  19           HZ       PHE  19   9.085   9.951  -0.470
  132    H    LYS  20           H        LYS  20  12.085  15.616   4.147
  133    HA   LYS  20           HA       LYS  20  13.300  18.254   3.821
  134    HB2  LYS  20           1HB      LYS  20  11.671  17.582   5.604
  135    HB3  LYS  20           2HB      LYS  20  12.913  16.552   6.319
  136    HG2  LYS  20           1HG      LYS  20  14.315  18.515   6.789
  137    HG3  LYS  20           2HG      LYS  20  13.184  19.566   5.914
  138    HD2  LYS  20           1HD      LYS  20  11.423  19.066   7.573
  139    HD3  LYS  20           2HD      LYS  20  12.527  17.967   8.430
  140    HE2  LYS  20           1HE      LYS  20  14.087  19.854   8.840
  141    HE3  LYS  20           2HE      LYS  20  12.998  20.950   7.979
  142    HZ1  LYS  20           3HZ      LYS  20  12.662  21.076  10.382
  143    HZ2  LYS  20           1HZ      LYS  20  12.309  19.485  10.475
  144    HZ3  LYS  20           2HZ      LYS  20  11.308  20.503   9.677
  145    H    PHE  21           H        PHE  21  14.613  15.068   3.954
  146    HA   PHE  21           HA       PHE  21  17.368  16.142   4.313
  147    HB2  PHE  21           1HB      PHE  21  16.263  13.731   5.794
  148    HB3  PHE  21           2HB      PHE  21  17.894  14.369   5.895
  149    HD1  PHE  21           2HD      PHE  21  18.196  16.799   6.798
  150    HD2  PHE  21           1HD      PHE  21  14.615  14.459   7.340
  151    HE1  PHE  21           2HE      PHE  21  17.551  18.227   8.726
  152    HE2  PHE  21           1HE      PHE  21  13.978  15.881   9.273
  153    HZ   PHE  21           HZ       PHE  21  15.445  17.768   9.969
  154    H    LYS  22           H        LYS  22  19.043  14.876   3.510
  155    HA   LYS  22           HA       LYS  22  18.589  13.531   1.060
  156    HB2  LYS  22           1HB      LYS  22  20.684  14.734   1.871
  157    HB3  LYS  22           2HB      LYS  22  21.065  13.308   2.834
  158    HG2  LYS  22           1HG      LYS  22  21.152  11.932   0.765
  159    HG3  LYS  22           2HG      LYS  22  20.682  13.347  -0.199
  160    HD2  LYS  22           1HD      LYS  22  22.750  14.528   0.559
  161    HD3  LYS  22           2HD      LYS  22  23.222  13.080   1.476
  162    HE2  LYS  22           1HE      LYS  22  23.223  11.761  -0.638
  163    HE3  LYS  22           2HE      LYS  22  22.763  13.213  -1.540
  164    HZ1  LYS  22           3HZ      LYS  22  25.290  12.891  -0.005
  165    HZ2  LYS  22           1HZ      LYS  22  24.867  14.232  -0.837
  166    HZ3  LYS  22           2HZ      LYS  22  25.163  12.839  -1.629
  167    H    HIS  23           H        HIS  23  19.300  12.141   4.279
  168    HA   HIS  23           HA       HIS  23  19.354   9.416   3.423
  169    HB2  HIS  23           1HB      HIS  23  19.191   8.839   5.762
  170    HB3  HIS  23           2HB      HIS  23  20.330  10.157   5.531
  171    HD1  HIS  23           1HD      HIS  23  16.846   9.491   7.063
  172    HD2  HIS  23           2HD      HIS  23  19.757  12.503   6.691
  173    HE1  HIS  23           1HE      HIS  23  16.159  11.348   8.663
  174    H    SER  24           H        SER  24  16.614  11.451   4.518
  175    HA   SER  24           HA       SER  24  14.632   9.411   4.542
  176    HB2  SER  24           1HB      SER  24  14.289  12.357   3.877
  177    HB3  SER  24           2HB      SER  24  12.999  11.217   4.313
  178    HG   SER  24           HG       SER  24  13.615  12.296   6.169
  179    H    LEU  25           H        LEU  25  15.645  11.559   1.809
  180    HA   LEU  25           HA       LEU  25  13.919  10.268  -0.102
  181    HB2  LEU  25           1HB      LEU  25  14.808  12.487  -0.535
  182    HB3  LEU  25           2HB      LEU  25  16.467  11.890  -0.451
  183    HG   LEU  25           HG       LEU  25  16.092  10.509  -2.481
  184   HD11  LEU  25          1HD1      LEU  25  13.640  10.144  -2.328
  185   HD12  LEU  25          2HD1      LEU  25  14.094  10.856  -3.874
  186   HD13  LEU  25          3HD1      LEU  25  13.368  11.875  -2.615
  187   HD21  LEU  25          3HD2      LEU  25  16.962  12.818  -2.674
  188   HD22  LEU  25          1HD2      LEU  25  15.294  13.395  -2.922
  189   HD23  LEU  25          2HD2      LEU  25  16.042  12.301  -4.097
  190    H    GLN  26           H        GLN  26  17.396   9.666   0.739
  191    HA   GLN  26           HA       GLN  26  17.809   7.633  -1.200
  192    HB2  GLN  26           1HB      GLN  26  19.080   8.232   1.488
  193    HB3  GLN  26           2HB      GLN  26  19.607   6.860   0.531
  194    HG2  GLN  26           1HG      GLN  26  19.566   9.747  -0.480
  195    HG3  GLN  26           2HG      GLN  26  20.979   8.950   0.198
  196   HE21  GLN  26          1HE2      GLN  26  21.077  10.047  -2.387
  197   HE22  GLN  26          2HE2      GLN  26  21.192   8.717  -3.530
  198    H    ALA  27           H        ALA  27  16.538   7.284   2.137
  199    HA   ALA  27           HA       ALA  27  16.263   4.413   1.948
  200    HB1  ALA  27           1HB      ALA  27  16.489   5.637   4.062
  201    HB2  ALA  27           2HB      ALA  27  14.928   6.446   3.773
  202    HB3  ALA  27           3HB      ALA  27  14.986   4.683   4.019
  203    H    HIS  28           H        HIS  28  14.071   7.140   1.154
  204    HA   HIS  28           HA       HIS  28  11.758   5.533   0.570
  205    HB2  HIS  28           1HB      HIS  28  11.493   7.888   0.909
  206    HB3  HIS  28           2HB      HIS  28  12.665   8.282  -0.346
  207    HD1  HIS  28           1HD      HIS  28   9.158   6.651  -0.124
  208    HD2  HIS  28           2HD      HIS  28  11.803   8.537  -2.793
  209    HE1  HIS  28           1HE      HIS  28   7.888   6.884  -2.304
  210    H    LEU  29           H        LEU  29  14.464   6.653  -1.522
  211    HA   LEU  29           HA       LEU  29  13.467   5.759  -3.981
  212    HB2  LEU  29           1HB      LEU  29  16.281   6.125  -2.909
  213    HB3  LEU  29           2HB      LEU  29  16.006   5.610  -4.567
  214    HG   LEU  29           HG       LEU  29  14.844   8.189  -3.436
  215   HD11  LEU  29          1HD1      LEU  29  16.646   9.318  -4.683
  216   HD12  LEU  29          2HD1      LEU  29  17.343   7.741  -5.121
  217   HD13  LEU  29          3HD1      LEU  29  17.310   8.267  -3.424
  218   HD21  LEU  29          3HD2      LEU  29  14.620   8.781  -5.834
  219   HD22  LEU  29          1HD2      LEU  29  13.615   7.410  -5.394
  220   HD23  LEU  29          2HD2      LEU  29  15.136   7.139  -6.273
  221    H    ARG  30           H        ARG  30  14.790   3.738  -1.457
  222    HA   ARG  30           HA       ARG  30  15.534   1.414  -2.893
  223    HB2  ARG  30           1HB      ARG  30  14.134   1.651  -0.191
  224    HB3  ARG  30           2HB      ARG  30  14.905   0.188  -0.809
  225    HG2  ARG  30           1HG      ARG  30  17.091   1.352  -0.902
  226    HG3  ARG  30           2HG      ARG  30  16.345   2.820  -0.250
  227    HD2  ARG  30           1HD      ARG  30  15.698   1.626   1.797
  228    HD3  ARG  30           2HD      ARG  30  16.380   0.124   1.178
  229    HE   ARG  30           HE       ARG  30  17.819   2.418   2.307
  230   HH11  ARG  30          2HH1      ARG  30  18.261  -0.484   0.386
  231   HH12  ARG  30          1HH1      ARG  30  19.968  -0.551   0.729
  232   HH21  ARG  30          2HH2      ARG  30  19.997   2.269   2.693
  233   HH22  ARG  30          1HH2      ARG  30  20.915   0.966   1.997
  234    H    ILE  31           H        ILE  31  12.224   2.583  -2.265
  235    HA   ILE  31           HA       ILE  31  10.977   0.083  -3.008
  236    HB   ILE  31           HB       ILE  31   8.947   1.117  -2.931
  237   HG12  ILE  31          1HG1      ILE  31  10.223   3.853  -3.200
  238   HG13  ILE  31          2HG1      ILE  31   9.199   3.021  -4.364
  239   HG21  ILE  31          1HG2      ILE  31  10.211   0.850  -0.774
  240   HG22  ILE  31          2HG2      ILE  31  10.550   2.594  -0.818
  241   HG23  ILE  31          3HG2      ILE  31   8.880   2.007  -0.708
  242   HD11  ILE  31          3HD1      ILE  31   7.840   4.638  -3.285
  243   HD12  ILE  31          1HD1      ILE  31   7.329   3.039  -2.703
  244   HD13  ILE  31          2HD1      ILE  31   8.331   4.092  -1.669
  245    H    HIS  32           H        HIS  32  12.219   2.741  -4.869
  246    HA   HIS  32           HA       HIS  32  10.832   1.907  -7.353
  247    HB2  HIS  32           1HB      HIS  32  12.757   4.201  -6.834
  248    HB3  HIS  32           2HB      HIS  32  11.816   3.935  -8.296
  249    HD1  HIS  32           1HD      HIS  32   8.934   3.836  -7.599
  250    HD2  HIS  32           2HD      HIS  32  11.730   6.031  -5.371
  251    HE1  HIS  32           1HE      HIS  32   7.602   5.636  -6.404
  252    H    THR  33           H        THR  33  14.151   1.964  -5.979
  253    HA   THR  33           HA       THR  33  15.383   1.181  -8.493
  254    HB   THR  33           HB       THR  33  17.457   1.023  -7.158
  255    HG1  THR  33           1HG      THR  33  17.374   1.608  -4.996
  256   HG21  THR  33          3HG2      THR  33  15.861   3.561  -6.591
  257   HG22  THR  33          1HG2      THR  33  16.745   3.206  -8.088
  258   HG23  THR  33          2HG2      THR  33  17.628   3.388  -6.563
  259    H    ASN  34           H        ASN  34  14.190  -0.667  -5.740
  260    HA   ASN  34           HA       ASN  34  15.684  -3.065  -6.562
  261    HB2  ASN  34           1HB      ASN  34  15.389  -2.274  -4.156
  262    HB3  ASN  34           2HB      ASN  34  13.693  -2.744  -4.286
  263   HD21  ASN  34          1HD2      ASN  34  14.259  -4.180  -2.437
  264   HD22  ASN  34          2HD2      ASN  34  15.020  -5.723  -2.799
  265    H    GLU  35           H        GLU  35  14.765  -5.099  -6.926
  266    HA   GLU  35           HA       GLU  35  12.249  -5.014  -8.515
  267    HB2  GLU  35           1HB      GLU  35  14.865  -6.336  -8.844
  268    HB3  GLU  35           2HB      GLU  35  13.525  -7.449  -9.059
  269    HG2  GLU  35           1HG      GLU  35  13.583  -4.745 -10.443
  270    HG3  GLU  35           2HG      GLU  35  14.397  -6.159 -11.109
  271    H    LYS  36           H        LYS  36  10.883  -6.821  -8.562
  272    HA   LYS  36           HA       LYS  36  10.592  -8.347  -5.998
  273    HB2  LYS  36           1HB      LYS  36   8.331  -6.839  -7.362
  274    HB3  LYS  36           2HB      LYS  36   8.243  -7.839  -5.918
  275    HG2  LYS  36           1HG      LYS  36   8.322  -5.818  -4.895
  276    HG3  LYS  36           2HG      LYS  36  10.064  -6.103  -5.012
  277    HD2  LYS  36           1HD      LYS  36  10.063  -4.752  -7.162
  278    HD3  LYS  36           2HD      LYS  36   8.331  -4.481  -6.959
  279    HE2  LYS  36           1HE      LYS  36   8.697  -3.206  -4.934
  280    HE3  LYS  36           2HE      LYS  36  10.413  -3.644  -4.902
  281    HZ1  LYS  36           3HZ      LYS  36  10.775  -2.403  -6.905
  282    HZ2  LYS  36           1HZ      LYS  36  10.001  -1.403  -5.871
  283    HZ3  LYS  36           2HZ      LYS  36   9.173  -2.081  -7.103
  284    HA   PRO  37           HA       PRO  37  10.550 -11.005  -9.649
  285    HB2  PRO  37           1HB      PRO  37  10.747 -13.495  -8.388
  286    HB3  PRO  37           2HB      PRO  37  12.091 -12.375  -8.715
  287    HG2  PRO  37           1HG      PRO  37  10.528 -12.697  -6.151
  288    HG3  PRO  37           2HG      PRO  37  12.304 -12.584  -6.359
  289    HD2  PRO  37           1HD      PRO  37  10.821 -10.430  -5.638
  290    HD3  PRO  37           2HD      PRO  37  12.184 -10.237  -6.767
  291    H    TYR  38           H        TYR  38   8.329 -11.702  -6.973
  292    HA   TYR  38           HA       TYR  38   6.673 -13.448  -8.652
  293    HB2  TYR  38           1HB      TYR  38   6.409 -12.611  -5.750
  294    HB3  TYR  38           2HB      TYR  38   5.346 -13.735  -6.570
  295    HD1  TYR  38           1HD      TYR  38   6.315 -15.822  -7.656
  296    HD2  TYR  38           2HD      TYR  38   8.517 -13.364  -4.905
  297    HE1  TYR  38           1HE      TYR  38   7.845 -17.743  -7.170
  298    HE2  TYR  38           2HE      TYR  38  10.087 -15.260  -4.448
  299    HH   TYR  38           HH       TYR  38   9.722 -18.444  -6.051
  300    H    LYS  39           H        LYS  39   6.029 -12.024 -10.242
  301    HA   LYS  39           HA       LYS  39   4.271  -9.716  -9.712
  302    HB2  LYS  39           1HB      LYS  39   5.163 -11.156 -12.239
  303    HB3  LYS  39           2HB      LYS  39   3.830 -10.013 -12.255
  304    HG2  LYS  39           1HG      LYS  39   5.669  -8.786 -12.957
  305    HG3  LYS  39           2HG      LYS  39   5.327  -8.247 -11.316
  306    HD2  LYS  39           1HD      LYS  39   7.223  -9.631 -10.486
  307    HD3  LYS  39           2HD      LYS  39   7.538 -10.188 -12.144
  308    HE2  LYS  39           1HE      LYS  39   7.887  -7.793 -12.834
  309    HE3  LYS  39           2HE      LYS  39   7.633  -7.305 -11.149
  310    HZ1  LYS  39           3HZ      LYS  39   9.867  -8.979 -12.145
  311    HZ2  LYS  39           1HZ      LYS  39   9.531  -8.688 -10.554
  312    HZ3  LYS  39           2HZ      LYS  39   9.979  -7.465 -11.504
  313    H    CYS  40           H        CYS  40   2.100  -9.567  -9.917
  314    HA   CYS  40           HA       CYS  40   0.448 -11.941  -9.730
  315    HB2  CYS  40           1HB      CYS  40  -0.058  -9.959  -8.493
  316    HB3  CYS  40           2HB      CYS  40  -0.156  -8.986  -9.977
  317    HA   PRO  41           HA       PRO  41  -0.236 -12.206 -14.214
  318    HB2  PRO  41           1HB      PRO  41  -2.138 -14.155 -14.275
  319    HB3  PRO  41           2HB      PRO  41  -0.433 -14.489 -13.846
  320    HG2  PRO  41           1HG      PRO  41  -2.770 -14.037 -11.960
  321    HG3  PRO  41           2HG      PRO  41  -1.558 -15.355 -11.924
  322    HD2  PRO  41           1HD      PRO  41  -1.340 -13.085 -10.392
  323    HD3  PRO  41           2HD      PRO  41   0.094 -13.936 -11.041
  324    H    GLN  42           H        GLN  42  -2.427 -10.967 -11.861
  325    HA   GLN  42           HA       GLN  42  -4.470 -10.258 -13.939
  326    HB2  GLN  42           1HB      GLN  42  -4.776 -10.817 -10.974
  327    HB3  GLN  42           2HB      GLN  42  -6.050 -10.153 -12.001
  328    HG2  GLN  42           1HG      GLN  42  -5.943 -12.161 -13.454
  329    HG3  GLN  42           2HG      GLN  42  -4.689 -12.849 -12.421
  330   HE21  GLN  42          1HE2      GLN  42  -8.148 -11.879 -12.494
  331   HE22  GLN  42          2HE2      GLN  42  -8.588 -12.907 -11.137
  332    H    CYS  43           H        CYS  43  -2.327  -8.765 -11.486
  333    HA   CYS  43           HA       CYS  43  -3.195  -6.144 -12.535
  334    HB2  CYS  43           1HB      CYS  43  -3.661  -5.210 -10.374
  335    HB3  CYS  43           2HB      CYS  43  -4.679  -6.619 -10.620
  336    H    SER  44           H        SER  44  -1.867  -4.408 -11.102
  337    HA   SER  44           HA       SER  44   0.849  -4.683 -11.992
  338    HB2  SER  44           1HB      SER  44  -0.374  -2.556 -10.198
  339    HB3  SER  44           2HB      SER  44   1.138  -2.426 -11.116
  340    HG   SER  44           HG       SER  44  -0.619  -1.437 -12.214
  341    H    TYR  45           H        TYR  45  -0.437  -6.024  -9.229
  342    HA   TYR  45           HA       TYR  45   1.419  -5.464  -7.167
  343    HB2  TYR  45           1HB      TYR  45  -0.695  -6.534  -6.765
  344    HB3  TYR  45           2HB      TYR  45  -0.311  -7.856  -7.849
  345    HD1  TYR  45           1HD      TYR  45   1.526  -9.548  -7.148
  346    HD2  TYR  45           2HD      TYR  45  -0.074  -6.579  -4.450
  347    HE1  TYR  45           1HE      TYR  45   2.336 -10.870  -5.213
  348    HE2  TYR  45           2HE      TYR  45   0.732  -7.920  -2.515
  349    HH   TYR  45           HH       TYR  45   1.786  -9.837  -1.839
  350    H    ALA  46           H        ALA  46   3.319  -6.264  -6.580
  351    HA   ALA  46           HA       ALA  46   4.344  -8.761  -7.639
  352    HB1  ALA  46           1HB      ALA  46   6.022  -6.241  -7.963
  353    HB2  ALA  46           2HB      ALA  46   6.495  -7.909  -8.386
  354    HB3  ALA  46           3HB      ALA  46   5.206  -7.098  -9.285
  355    H    SER  47           H        SER  47   5.773  -9.803  -6.210
  356    HA   SER  47           HA       SER  47   6.680  -8.359  -3.770
  357    HB2  SER  47           1HB      SER  47   4.391  -9.404  -3.405
  358    HB3  SER  47           2HB      SER  47   5.173 -10.987  -3.569
  359    HG   SER  47           HG       SER  47   5.758  -8.917  -1.675
  360    H    ALA  48           H        ALA  48   7.877 -10.008  -2.298
  361    HA   ALA  48           HA       ALA  48   9.995 -11.305  -3.939
  362    HB1  ALA  48           1HB      ALA  48  10.653  -9.382  -2.541
  363    HB2  ALA  48           2HB      ALA  48  10.070 -10.238  -1.093
  364    HB3  ALA  48           3HB      ALA  48  11.446 -10.879  -2.018
  365    H    ILE  49           H        ILE  49   7.291 -12.337  -2.331
  366    HA   ILE  49           HA       ILE  49   8.509 -14.993  -1.708
  367    HB   ILE  49           HB       ILE  49   6.432 -13.611   0.024
  368   HG12  ILE  49          1HG1      ILE  49   9.415 -13.974   0.542
  369   HG13  ILE  49          2HG1      ILE  49   8.569 -12.443   0.295
  370   HG21  ILE  49          1HG2      ILE  49   8.030 -16.174   0.487
  371   HG22  ILE  49          2HG2      ILE  49   6.778 -15.503   1.554
  372   HG23  ILE  49          3HG2      ILE  49   6.330 -16.116  -0.016
  373   HD11  ILE  49          3HD1      ILE  49   8.974 -12.642   2.620
  374   HD12  ILE  49          1HD1      ILE  49   7.231 -12.879   2.371
  375   HD13  ILE  49          2HD1      ILE  49   8.297 -14.273   2.693
  376    H    LYS  50           H        LYS  50   7.500 -16.635  -2.656
  377    HA   LYS  50           HA       LYS  50   5.299 -16.333  -4.436
  378    HB2  LYS  50           1HB      LYS  50   7.093 -18.064  -4.578
  379    HB3  LYS  50           2HB      LYS  50   6.450 -18.854  -3.156
  380    HG2  LYS  50           1HG      LYS  50   5.850 -20.002  -5.234
  381    HG3  LYS  50           2HG      LYS  50   4.438 -19.491  -4.326
  382    HD2  LYS  50           1HD      LYS  50   4.040 -17.630  -5.885
  383    HD3  LYS  50           2HD      LYS  50   5.527 -18.046  -6.771
  384    HE2  LYS  50           1HE      LYS  50   4.605 -20.288  -7.268
  385    HE3  LYS  50           2HE      LYS  50   3.120 -19.877  -6.402
  386    HZ1  LYS  50           3HZ      LYS  50   2.720 -18.127  -8.052
  387    HZ2  LYS  50           1HZ      LYS  50   2.881 -19.566  -8.800
  388    HZ3  LYS  50           2HZ      LYS  50   4.108 -18.495  -8.845
  389    H    ALA  51           H        ALA  51   5.362 -17.558  -1.092
  390    HA   ALA  51           HA       ALA  51   2.605 -18.265  -0.906
  391    HB1  ALA  51           1HB      ALA  51   4.528 -17.319   1.266
  392    HB2  ALA  51           2HB      ALA  51   3.003 -18.191   1.517
  393    HB3  ALA  51           3HB      ALA  51   4.348 -18.992   0.685
  394    H    ASN  52           H        ASN  52   4.209 -15.076  -0.553
  395    HA   ASN  52           HA       ASN  52   1.842 -13.753   0.469
  396    HB2  ASN  52           1HB      ASN  52   4.261 -12.978   0.719
  397    HB3  ASN  52           2HB      ASN  52   4.197 -12.477  -0.977
  398   HD21  ASN  52          1HD2      ASN  52   4.448 -10.257  -0.508
  399   HD22  ASN  52          2HD2      ASN  52   3.247  -9.350   0.407
  400    H    LEU  53           H        LEU  53   3.235 -14.165  -2.835
  401    HA   LEU  53           HA       LEU  53   1.125 -12.840  -4.225
  402    HB2  LEU  53           1HB      LEU  53   3.212 -13.347  -5.315
  403    HB3  LEU  53           2HB      LEU  53   3.019 -15.074  -5.021
  404    HG   LEU  53           HG       LEU  53   1.086 -15.156  -6.555
  405   HD11  LEU  53          1HD1      LEU  53   1.732 -12.246  -7.194
  406   HD12  LEU  53          2HD1      LEU  53   0.279 -12.800  -6.333
  407   HD13  LEU  53          3HD1      LEU  53   0.536 -13.284  -8.007
  408   HD21  LEU  53          3HD2      LEU  53   2.309 -14.912  -8.616
  409   HD22  LEU  53          1HD2      LEU  53   3.419 -15.517  -7.367
  410   HD23  LEU  53          2HD2      LEU  53   3.468 -13.809  -7.859
  411    H    ASN  54           H        ASN  54   1.372 -16.266  -3.103
  412    HA   ASN  54           HA       ASN  54  -1.100 -17.131  -4.217
  413    HB2  ASN  54           1HB      ASN  54   0.638 -18.637  -3.330
  414    HB3  ASN  54           2HB      ASN  54   0.312 -18.075  -1.692
  415   HD21  ASN  54          1HD2      ASN  54  -1.313 -19.118  -0.529
  416   HD22  ASN  54          2HD2      ASN  54  -2.415 -20.271  -1.268
  417    H    VAL  55           H        VAL  55  -0.497 -15.570  -1.029
  418    HA   VAL  55           HA       VAL  55  -3.294 -15.531  -0.257
  419    HB   VAL  55           HB       VAL  55  -0.917 -13.909   0.684
  420   HG11  VAL  55          1HG1      VAL  55  -3.721 -14.056   1.875
  421   HG12  VAL  55          2HG1      VAL  55  -2.299 -13.375   2.695
  422   HG13  VAL  55          3HG1      VAL  55  -2.916 -12.605   1.235
  423   HG21  VAL  55          3HG2      VAL  55  -1.019 -15.395   2.638
  424   HG22  VAL  55          1HG2      VAL  55  -2.429 -16.235   1.952
  425   HG23  VAL  55          2HG2      VAL  55  -0.843 -16.353   1.167
  426    H    HIS  56           H        HIS  56  -1.269 -13.230  -2.088
  427    HA   HIS  56           HA       HIS  56  -3.274 -11.192  -2.329
  428    HB2  HIS  56           1HB      HIS  56  -0.965 -10.711  -2.821
  429    HB3  HIS  56           2HB      HIS  56  -0.914 -11.933  -4.092
  430    HD1  HIS  56           1HD      HIS  56  -2.784  -8.604  -3.420
  431    HD2  HIS  56           2HD      HIS  56  -1.645 -11.238  -6.489
  432    HE1  HIS  56           1HE      HIS  56  -3.616  -7.555  -5.565
  433    H    LEU  57           H        LEU  57  -2.617 -14.034  -4.452
  434    HA   LEU  57           HA       LEU  57  -4.587 -13.459  -6.427
  435    HB2  LEU  57           1HB      LEU  57  -3.383 -16.009  -5.367
  436    HB3  LEU  57           2HB      LEU  57  -4.529 -16.035  -6.697
  437    HG   LEU  57           HG       LEU  57  -1.976 -14.369  -6.813
  438   HD11  LEU  57          1HD1      LEU  57  -0.996 -16.241  -8.082
  439   HD12  LEU  57          2HD1      LEU  57  -2.448 -17.225  -7.762
  440   HD13  LEU  57          3HD1      LEU  57  -1.393 -16.724  -6.424
  441   HD21  LEU  57          3HD2      LEU  57  -3.894 -15.448  -8.928
  442   HD22  LEU  57          1HD2      LEU  57  -2.351 -14.648  -9.262
  443   HD23  LEU  57          2HD2      LEU  57  -3.652 -13.744  -8.480
  444    H    ARG  58           H        ARG  58  -4.959 -15.044  -3.274
  445    HA   ARG  58           HA       ARG  58  -7.728 -15.779  -3.525
  446    HB2  ARG  58           1HB      ARG  58  -6.110 -15.020  -1.060
  447    HB3  ARG  58           2HB      ARG  58  -7.731 -15.696  -1.012
  448    HG2  ARG  58           1HG      ARG  58  -7.006 -17.781  -2.004
  449    HG3  ARG  58           2HG      ARG  58  -5.411 -17.128  -2.365
  450    HD2  ARG  58           1HD      ARG  58  -5.199 -18.525  -0.436
  451    HD3  ARG  58           2HD      ARG  58  -4.968 -16.845   0.072
  452    HE   ARG  58           HE       ARG  58  -7.727 -17.570   0.386
  453   HH11  ARG  58          2HH1      ARG  58  -4.662 -18.296   1.920
  454   HH12  ARG  58          1HH1      ARG  58  -5.407 -18.611   3.463
  455   HH21  ARG  58          2HH2      ARG  58  -8.610 -17.986   2.381
  456   HH22  ARG  58          1HH2      ARG  58  -7.583 -18.446   3.708
  457    H    LYS  59           H        LYS  59  -6.393 -12.588  -3.296
  458    HA   LYS  59           HA       LYS  59  -8.912 -11.343  -2.384
  459    HB2  LYS  59           1HB      LYS  59  -6.439  -9.963  -3.495
  460    HB3  LYS  59           2HB      LYS  59  -7.777  -9.242  -2.604
  461    HG2  LYS  59           1HG      LYS  59  -7.159 -10.701  -0.623
  462    HG3  LYS  59           2HG      LYS  59  -5.708 -11.191  -1.524
  463    HD2  LYS  59           1HD      LYS  59  -4.967  -8.835  -1.640
  464    HD3  LYS  59           2HD      LYS  59  -6.418  -8.336  -0.738
  465    HE2  LYS  59           1HE      LYS  59  -5.723  -9.821   1.149
  466    HE3  LYS  59           2HE      LYS  59  -4.256 -10.252   0.263
  467    HZ1  LYS  59           3HZ      LYS  59  -3.843  -8.464   1.861
  468    HZ2  LYS  59           1HZ      LYS  59  -4.965  -7.507   1.169
  469    HZ3  LYS  59           2HZ      LYS  59  -3.603  -7.894   0.351
  470    H    HIS  60           H        HIS  60  -7.668 -12.388  -5.428
  471    HA   HIS  60           HA       HIS  60  -9.323 -10.543  -7.021
  472    HB2  HIS  60           1HB      HIS  60  -7.485 -12.841  -7.750
  473    HB3  HIS  60           2HB      HIS  60  -8.531 -12.035  -8.910
  474    HD1  HIS  60           1HD      HIS  60  -8.155  -9.227  -9.019
  475    HD2  HIS  60           2HD      HIS  60  -5.096 -11.724  -7.568
  476    HE1  HIS  60           1HE      HIS  60  -6.030  -7.867  -9.193
  477    H    THR  61           H        THR  61 -11.194 -11.194  -5.621
  478    HA   THR  61           HA       THR  61 -12.450 -13.792  -6.104
  479    HB   THR  61           HB       THR  61 -14.215 -12.897  -4.617
  480    HG1  THR  61           1HG      THR  61 -13.799 -10.817  -3.704
  481   HG21  THR  61          3HG2      THR  61 -12.891 -12.682  -2.595
  482   HG22  THR  61          1HG2      THR  61 -11.434 -12.273  -3.526
  483   HG23  THR  61          2HG2      THR  61 -12.136 -13.900  -3.639
  484    H    GLY  62           H        GLY  62 -12.604 -10.764  -7.738
  485    HA2  GLY  62           1HA      GLY  62 -13.882 -10.097  -9.566
  486    HA3  GLY  62           2HA      GLY  62 -14.821 -11.588  -9.473
  487    H    GLU  63           H        GLU  63 -14.722  -9.964  -6.429
  488    HA   GLU  63           HA       GLU  63 -17.492  -9.246  -6.458
  489    HB2  GLU  63           1HB      GLU  63 -16.201 -10.024  -4.475
  490    HB3  GLU  63           2HB      GLU  63 -15.274  -8.515  -4.501
  491    HG2  GLU  63           1HG      GLU  63 -17.311  -7.225  -4.044
  492    HG3  GLU  63           2HG      GLU  63 -18.307  -8.672  -4.215
  493    H    LYS  64           H        LYS  64 -18.402  -7.285  -6.462
  494    HA   LYS  64           HA       LYS  64 -17.299  -5.250  -8.182
  495    HB2  LYS  64           1HB      LYS  64 -19.822  -5.287  -6.483
  496    HB3  LYS  64           2HB      LYS  64 -19.363  -3.937  -7.527
  497    HG2  LYS  64           1HG      LYS  64 -19.296  -5.474  -9.487
  498    HG3  LYS  64           2HG      LYS  64 -19.894  -6.789  -8.451
  499    HD2  LYS  64           1HD      LYS  64 -21.949  -5.462  -7.963
  500    HD3  LYS  64           2HD      LYS  64 -21.309  -4.121  -8.915
  501    HE2  LYS  64           1HE      LYS  64 -22.860  -5.190 -10.322
  502    HE3  LYS  64           2HE      LYS  64 -21.259  -5.617 -10.933
  503    HZ1  LYS  64           3HZ      LYS  64 -21.498  -7.785  -9.802
  504    HZ2  LYS  64           1HZ      LYS  64 -22.744  -7.551 -10.831
  505    HZ3  LYS  64           2HZ      LYS  64 -22.970  -7.363  -9.230
  506    H    PHE  65           H        PHE  65 -16.685  -3.248  -7.891
  507    HA   PHE  65           HA       PHE  65 -16.165  -2.137  -5.167
  508    HB2  PHE  65           1HB      PHE  65 -14.729  -1.493  -7.772
  509    HB3  PHE  65           2HB      PHE  65 -14.348  -0.874  -6.169
  510    HD1  PHE  65           2HD      PHE  65 -13.225  -2.314  -4.481
  511    HD2  PHE  65           1HD      PHE  65 -14.064  -3.740  -8.464
  512    HE1  PHE  65           2HE      PHE  65 -11.648  -4.205  -4.140
  513    HE2  PHE  65           1HE      PHE  65 -12.500  -5.637  -8.113
  514    HZ   PHE  65           HZ       PHE  65 -11.280  -5.864  -5.957
  515    H    ALA  66           H        ALA  66 -16.725   0.113  -4.899
  516    HA   ALA  66           HA       ALA  66 -18.733   1.126  -6.873
  517    HB1  ALA  66           1HB      ALA  66 -19.769   0.079  -4.884
  518    HB2  ALA  66           2HB      ALA  66 -18.875   1.202  -3.837
  519    HB3  ALA  66           3HB      ALA  66 -20.091   1.821  -4.973
  520    H    CYS  67           H        CYS  67 -18.891   3.255  -7.283
  521    HA   CYS  67           HA       CYS  67 -16.613   4.947  -6.943
  522    HB2  CYS  67           1HB      CYS  67 -18.146   4.911  -8.863
  523    HB3  CYS  67           2HB      CYS  67 -19.457   5.529  -7.849
  524    H    ASP  68           H        ASP  68 -16.290   6.745  -5.736
  525    HA   ASP  68           HA       ASP  68 -17.726   6.939  -3.154
  526    HB2  ASP  68           1HB      ASP  68 -15.214   6.829  -3.333
  527    HB3  ASP  68           2HB      ASP  68 -15.248   8.413  -4.106
  528    H    TYR  69           H        TYR  69 -17.995   8.340  -6.199
  529    HA   TYR  69           HA       TYR  69 -19.011  10.969  -5.163
  530    HB2  TYR  69           1HB      TYR  69 -17.655  10.295  -7.776
  531    HB3  TYR  69           2HB      TYR  69 -18.202  11.893  -7.287
  532    HD1  TYR  69           1HD      TYR  69 -17.048  13.088  -5.395
  533    HD2  TYR  69           2HD      TYR  69 -15.554   9.395  -7.051
  534    HE1  TYR  69           1HE      TYR  69 -14.815  13.531  -4.376
  535    HE2  TYR  69           2HE      TYR  69 -13.327   9.834  -6.025
  536    HH   TYR  69           HH       TYR  69 -12.061  11.267  -4.761
  537    H    CYS  70           H        CYS  70 -19.904   8.173  -7.056
  538    HA   CYS  70           HA       CYS  70 -22.589   9.272  -7.394
  539    HB2  CYS  70           1HB      CYS  70 -22.814   8.911  -9.723
  540    HB3  CYS  70           2HB      CYS  70 -21.429   9.954  -9.467
  541    H    SER  71           H        SER  71 -23.809   7.332  -8.809
  542    HA   SER  71           HA       SER  71 -23.868   5.081  -6.953
  543    HB2  SER  71           1HB      SER  71 -25.529   5.601  -9.442
  544    HB3  SER  71           2HB      SER  71 -25.869   4.409  -8.173
  545    HG   SER  71           HG       SER  71 -27.064   6.350  -7.881
  546    H    PHE  72           H        PHE  72 -21.856   5.523  -9.561
  547    HA   PHE  72           HA       PHE  72 -22.172   3.164 -11.105
  548    HB2  PHE  72           1HB      PHE  72 -20.952   5.147 -11.835
  549    HB3  PHE  72           2HB      PHE  72 -19.744   4.897 -10.584
  550    HD1  PHE  72           1HD      PHE  72 -21.157   3.417 -13.721
  551    HD2  PHE  72           2HD      PHE  72 -17.857   3.502 -10.948
  552    HE1  PHE  72           1HE      PHE  72 -19.790   2.066 -15.298
  553    HE2  PHE  72           2HE      PHE  72 -16.489   2.160 -12.531
  554    HZ   PHE  72           HZ       PHE  72 -17.459   1.441 -14.709
  555    H    THR  73           H        THR  73 -21.160   1.194 -11.177
  556    HA   THR  73           HA       THR  73 -19.219   0.423  -9.099
  557    HB   THR  73           HB       THR  73 -20.249  -1.768  -8.740
  558    HG1  THR  73           1HG      THR  73 -22.527  -0.696 -10.040
  559   HG21  THR  73          3HG2      THR  73 -22.219   0.443  -8.033
  560   HG22  THR  73          1HG2      THR  73 -20.768   0.004  -7.109
  561   HG23  THR  73          2HG2      THR  73 -22.089  -1.163  -7.280
  562    H    CYS  74           H        CYS  74 -17.850  -1.309  -9.670
  563    HA   CYS  74           HA       CYS  74 -18.117  -2.526 -12.346
  564    HB2  CYS  74           1HB      CYS  74 -16.799  -0.373 -12.617
  565    HB3  CYS  74           2HB      CYS  74 -15.561  -1.061 -11.546
  566    HG   CYS  74           HG       CYS  74 -16.748  -2.174 -14.455
  567    H    LEU  75           H        LEU  75 -16.836  -4.452 -12.605
  568    HA   LEU  75           HA       LEU  75 -16.193  -5.877 -10.116
  569    HB2  LEU  75           1HB      LEU  75 -16.135  -6.670 -13.055
  570    HB3  LEU  75           2HB      LEU  75 -15.563  -7.704 -11.757
  571    HG   LEU  75           HG       LEU  75 -17.853  -7.562 -10.683
  572   HD11  LEU  75          1HD1      LEU  75 -18.605  -6.428 -13.417
  573   HD12  LEU  75          2HD1      LEU  75 -18.873  -5.653 -11.837
  574   HD13  LEU  75          3HD1      LEU  75 -19.757  -7.118 -12.256
  575   HD21  LEU  75          3HD2      LEU  75 -17.630  -8.785 -13.467
  576   HD22  LEU  75          1HD2      LEU  75 -18.783  -9.269 -12.202
  577   HD23  LEU  75          2HD2      LEU  75 -17.050  -9.516 -11.953
  578    H    SER  76           H        SER  76 -14.452  -3.676 -11.940
  579    HA   SER  76           HA       SER  76 -11.829  -4.761 -10.987
  580    HB2  SER  76           1HB      SER  76 -11.820  -4.942 -13.361
  581    HB3  SER  76           2HB      SER  76 -12.471  -3.308 -13.564
  582    HG   SER  76           HG       SER  76 -10.079  -3.659 -13.780
  583    H    LYS  77           H        LYS  77 -10.847  -3.560  -9.557
  584    HA   LYS  77           HA       LYS  77 -11.645  -0.895  -8.783
  585    HB2  LYS  77           1HB      LYS  77 -10.620  -2.565  -7.261
  586    HB3  LYS  77           2HB      LYS  77  -9.124  -2.505  -8.188
  587    HG2  LYS  77           1HG      LYS  77  -8.915  -1.237  -6.139
  588    HG3  LYS  77           2HG      LYS  77  -8.774  -0.155  -7.521
  589    HD2  LYS  77           1HD      LYS  77 -11.083   0.644  -7.171
  590    HD3  LYS  77           2HD      LYS  77 -11.311  -0.540  -5.861
  591    HE2  LYS  77           1HE      LYS  77  -9.436   0.532  -4.607
  592    HE3  LYS  77           2HE      LYS  77  -9.255   1.721  -5.902
  593    HZ1  LYS  77           3HZ      LYS  77 -10.602   2.583  -4.075
  594    HZ2  LYS  77           1HZ      LYS  77 -11.691   1.382  -4.227
  595    HZ3  LYS  77           2HZ      LYS  77 -11.520   2.492  -5.419
  596    H    GLY  78           H        GLY  78  -9.287  -2.133 -11.096
  597    HA2  GLY  78           1HA      GLY  78  -7.832   0.330 -11.560
  598    HA3  GLY  78           2HA      GLY  78  -7.926  -1.073 -12.635
  599    H    HIS  79           H        HIS  79 -10.637  -1.228 -13.230
  600    HA   HIS  79           HA       HIS  79 -11.042   0.955 -15.078
  601    HB2  HIS  79           1HB      HIS  79 -11.873  -1.384 -15.374
  602    HB3  HIS  79           2HB      HIS  79 -13.041  -1.097 -14.081
  603    HD1  HIS  79           1HD      HIS  79 -12.438  -0.326 -17.764
  604    HD2  HIS  79           2HD      HIS  79 -15.086   0.668 -14.649
  605    HE1  HIS  79           1HE      HIS  79 -14.437   0.817 -18.861
  606    H    LEU  80           H        LEU  80 -12.375   0.278 -11.808
  607    HA   LEU  80           HA       LEU  80 -14.091   2.554 -11.708
  608    HB2  LEU  80           1HB      LEU  80 -14.222   0.667 -10.133
  609    HB3  LEU  80           2HB      LEU  80 -12.634   1.084  -9.483
  610    HG   LEU  80           HG       LEU  80 -13.521   3.257  -8.664
  611   HD11  LEU  80          1HD1      LEU  80 -15.975   3.607  -8.614
  612   HD12  LEU  80          2HD1      LEU  80 -16.203   2.193  -9.664
  613   HD13  LEU  80          3HD1      LEU  80 -15.360   3.648 -10.259
  614   HD21  LEU  80          3HD2      LEU  80 -15.227   0.915  -7.785
  615   HD22  LEU  80          1HD2      LEU  80 -14.812   2.367  -6.845
  616   HD23  LEU  80          2HD2      LEU  80 -13.550   1.200  -7.256
  617    H    LYS  81           H        LYS  81 -10.581   2.260 -10.873
  618    HA   LYS  81           HA       LYS  81 -10.263   5.000 -10.087
  619    HB2  LYS  81           1HB      LYS  81  -8.551   3.323  -9.640
  620    HB3  LYS  81           2HB      LYS  81  -8.236   3.121 -11.369
  621    HG2  LYS  81           1HG      LYS  81  -7.431   5.413 -11.562
  622    HG3  LYS  81           2HG      LYS  81  -7.914   5.771  -9.890
  623    HD2  LYS  81           1HD      LYS  81  -6.239   4.207  -9.029
  624    HD3  LYS  81           2HD      LYS  81  -5.862   3.657 -10.663
  625    HE2  LYS  81           1HE      LYS  81  -4.121   5.131  -9.907
  626    HE3  LYS  81           2HE      LYS  81  -4.973   5.877 -11.259
  627    HZ1  LYS  81           3HZ      LYS  81  -4.470   7.354  -9.297
  628    HZ2  LYS  81           1HZ      LYS  81  -5.602   6.557  -8.435
  629    HZ3  LYS  81           2HZ      LYS  81  -6.006   7.421  -9.783
  630    H    VAL  82           H        VAL  82  -9.988   3.526 -13.382
  631    HA   VAL  82           HA       VAL  82  -9.507   5.998 -14.733
  632    HB   VAL  82           HB       VAL  82 -10.922   3.510 -15.757
  633   HG11  VAL  82          1HG1      VAL  82 -11.529   5.388 -17.218
  634   HG12  VAL  82          2HG1      VAL  82  -9.831   5.915 -17.292
  635   HG13  VAL  82          3HG1      VAL  82 -10.333   4.374 -18.024
  636   HG21  VAL  82          3HG2      VAL  82  -8.064   4.525 -16.120
  637   HG22  VAL  82          1HG2      VAL  82  -8.542   3.175 -15.076
  638   HG23  VAL  82          2HG2      VAL  82  -8.752   3.043 -16.823
  639    H    HIS  83           H        HIS  83 -12.688   4.505 -13.877
  640    HA   HIS  83           HA       HIS  83 -14.331   6.562 -14.941
  641    HB2  HIS  83           1HB      HIS  83 -15.323   4.532 -14.189
  642    HB3  HIS  83           2HB      HIS  83 -14.659   4.696 -12.573
  643    HD1  HIS  83           1HD      HIS  83 -17.540   6.042 -14.695
  644    HD2  HIS  83           2HD      HIS  83 -15.924   6.253 -10.822
  645    HE1  HIS  83           1HE      HIS  83 -19.294   7.205 -13.278
  646    H    ILE  84           H        ILE  84 -12.808   6.433 -11.651
  647    HA   ILE  84           HA       ILE  84 -13.866   8.996 -10.863
  648    HB   ILE  84           HB       ILE  84 -11.540   7.372  -9.789
  649   HG12  ILE  84          1HG1      ILE  84 -14.364   7.814  -8.686
  650   HG13  ILE  84          2HG1      ILE  84 -13.903   6.411  -9.636
  651   HG21  ILE  84          1HG2      ILE  84 -11.676   8.831  -7.774
  652   HG22  ILE  84          2HG2      ILE  84 -11.214   9.758  -9.187
  653   HG23  ILE  84          3HG2      ILE  84 -12.887   9.842  -8.592
  654   HD11  ILE  84          3HD1      ILE  84 -12.827   7.117  -6.891
  655   HD12  ILE  84          1HD1      ILE  84 -13.878   5.769  -7.343
  656   HD13  ILE  84          2HD1      ILE  84 -12.199   5.802  -7.919
  657    H    GLU  85           H        GLU  85 -10.663   8.121 -12.203
  658    HA   GLU  85           HA       GLU  85  -9.478  10.695 -12.194
  659    HB2  GLU  85           1HB      GLU  85  -9.141   8.327 -14.070
  660    HB3  GLU  85           2HB      GLU  85  -8.082   9.716 -14.098
  661    HG2  GLU  85           1HG      GLU  85  -8.462   8.013 -11.598
  662    HG3  GLU  85           2HG      GLU  85  -7.301   7.605 -12.856
  663    H    ARG  86           H        ARG  86 -11.654   9.234 -14.633
  664    HA   ARG  86           HA       ARG  86 -11.360  11.572 -16.433
  665    HB2  ARG  86           1HB      ARG  86 -12.967   8.999 -16.686
  666    HB3  ARG  86           2HB      ARG  86 -12.858  10.239 -17.923
  667    HG2  ARG  86           1HG      ARG  86 -10.542   8.553 -16.879
  668    HG3  ARG  86           2HG      ARG  86 -11.368   8.352 -18.415
  669    HD2  ARG  86           1HD      ARG  86  -9.671  10.733 -17.565
  670    HD3  ARG  86           2HD      ARG  86  -9.195   9.439 -18.672
  671    HE   ARG  86           HE       ARG  86 -11.513  10.480 -19.802
  672   HH11  ARG  86          2HH2      ARG  86  -8.370  11.829 -19.036
  673   HH12  ARG  86          1HH2      ARG  86  -8.479  13.031 -20.292
  674   HH21  ARG  86          1HH1      ARG  86 -11.590  12.043 -21.378
  675   HH22  ARG  86          2HH1      ARG  86 -10.255  13.138 -21.584
  676    H    VAL  87           H        VAL  87 -13.918  10.281 -14.316
  677    HA   VAL  87           HA       VAL  87 -15.809  12.301 -15.386
  678    HB   VAL  87           HB       VAL  87 -16.326  10.014 -13.460
  679   HG11  VAL  87          1HG1      VAL  87 -18.242  11.768 -15.049
  680   HG12  VAL  87          2HG1      VAL  87 -18.692  10.309 -14.137
  681   HG13  VAL  87          3HG1      VAL  87 -18.072  11.716 -13.280
  682   HG21  VAL  87          3HG2      VAL  87 -15.609   9.159 -15.684
  683   HG22  VAL  87          1HG2      VAL  87 -17.331   8.887 -15.436
  684   HG23  VAL  87          2HG2      VAL  87 -16.789  10.222 -16.476
  685    H    HIS  88           H        HIS  88 -14.178  11.598 -12.284
  686    HA   HIS  88           HA       HIS  88 -15.721  13.851 -11.036
  687    HB2  HIS  88           1HB      HIS  88 -14.485  11.398  -9.760
  688    HB3  HIS  88           2HB      HIS  88 -15.411  12.649  -8.935
  689    HD1  HIS  88           1HD      HIS  88 -18.086  12.893 -10.084
  690    HD2  HIS  88           2HD      HIS  88 -15.894   9.324 -10.351
  691    HE1  HIS  88           1HE      HIS  88 -19.804  11.048 -10.428
  692    H    LYS  89           H        LYS  89 -12.420  12.696 -11.534
  693    HA   LYS  89           HA       LYS  89 -11.243  14.406  -9.528
  694    HB2  LYS  89           1HB      LYS  89 -10.479  12.117 -10.412
  695    HB3  LYS  89           2HB      LYS  89  -9.755  13.016 -11.752
  696    HG2  LYS  89           1HG      LYS  89  -8.452  14.349  -9.984
  697    HG3  LYS  89           2HG      LYS  89  -9.143  13.260  -8.765
  698    HD2  LYS  89           1HD      LYS  89  -8.172  11.316  -9.997
  699    HD3  LYS  89           2HD      LYS  89  -7.466  12.445 -11.175
  700    HE2  LYS  89           1HE      LYS  89  -6.183  13.516  -9.288
  701    HE3  LYS  89           2HE      LYS  89  -6.821  12.269  -8.201
  702    HZ1  LYS  89           3HZ      LYS  89  -5.125  11.792 -10.593
  703    HZ2  LYS  89           1HZ      LYS  89  -5.802  10.601  -9.742
  704    HZ3  LYS  89           2HZ      LYS  89  -4.668  11.572  -9.031
  705    H    LYS  90           H        LYS  90 -12.726  16.114 -11.039
  706    HA   LYS  90           HA       LYS  90 -11.114  17.558 -13.016
  707    HB2  LYS  90           1HB      LYS  90 -13.586  17.422 -13.135
  708    HB3  LYS  90           2HB      LYS  90 -13.713  18.352 -11.634
  709    HG2  LYS  90           1HG      LYS  90 -12.641  20.292 -12.711
  710    HG3  LYS  90           2HG      LYS  90 -12.363  19.346 -14.187
  711    HD2  LYS  90           1HD      LYS  90 -14.815  19.104 -14.487
  712    HD3  LYS  90           2HD      LYS  90 -15.089  20.060 -13.012
  713    HE2  LYS  90           1HE      LYS  90 -13.911  21.987 -14.031
  714    HE3  LYS  90           2HE      LYS  90 -13.587  21.037 -15.486
  715    HZ1  LYS  90           3HZ      LYS  90 -15.990  20.892 -15.856
  716    HZ2  LYS  90           1HZ      LYS  90 -15.536  22.456 -15.775
  717    HZ3  LYS  90           2HZ      LYS  90 -16.300  21.765 -14.510
  718    H    ILE  91           H        ILE  91  -9.934  19.364 -12.762
  719    HA   ILE  91           HA       ILE  91  -9.370  20.338  -9.993
  720    HB   ILE  91           HB       ILE  91  -7.641  20.545 -12.475
  721   HG12  ILE  91          1HG1      ILE  91  -7.728  18.204 -11.869
  722   HG13  ILE  91          2HG1      ILE  91  -6.165  18.872 -11.461
  723   HG21  ILE  91          1HG2      ILE  91  -5.848  21.158 -10.835
  724   HG22  ILE  91          2HG2      ILE  91  -7.138  22.353 -10.950
  725   HG23  ILE  91          3HG2      ILE  91  -7.082  21.245  -9.561
  726   HD11  ILE  91          3HD1      ILE  91  -6.808  18.962  -9.058
  727   HD12  ILE  91          1HD1      ILE  91  -8.403  18.287  -9.469
  728   HD13  ILE  91          2HD1      ILE  91  -6.937  17.330  -9.729
  729    H    LYS  92           H        LYS  92  -9.577  22.446  -9.485
  730    HA   LYS  92           HA       LYS  92 -10.408  24.457 -11.522
  731    HB2  LYS  92           1HB      LYS  92 -11.884  23.829  -8.929
  732    HB3  LYS  92           2HB      LYS  92 -12.142  25.265  -9.926
  733    HG2  LYS  92           1HG      LYS  92 -12.828  23.817 -11.841
  734    HG3  LYS  92           2HG      LYS  92 -12.582  22.383 -10.837
  735    HD2  LYS  92           1HD      LYS  92 -14.929  22.873 -10.898
  736    HD3  LYS  92           2HD      LYS  92 -14.329  23.176  -9.261
  737    HE2  LYS  92           1HE      LYS  92 -14.240  25.616  -9.749
  738    HE3  LYS  92           2HE      LYS  92 -14.799  25.310 -11.400
  739    HZ1  LYS  92           3HZ      LYS  92 -16.874  24.440 -10.457
  740    HZ2  LYS  92           1HZ      LYS  92 -16.627  25.967  -9.945
  741    HZ3  LYS  92           2HZ      LYS  92 -16.352  24.719  -8.934
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1  31.783  14.600  27.729
    2    H2   GLY   1           2H       GLY   1  33.132  14.292  26.852
    3    H3   GLY   1           3H       GLY   1  31.660  13.850  26.280
    4    HA2  GLY   1           1HA      GLY   1  32.572  16.622  26.697
    5    HA3  GLY   1           2HA      GLY   1  32.446  15.811  25.125
    6    H    SER   2           H        SER   2  31.140  18.121  25.317
    7    HA   SER   2           HA       SER   2  28.464  18.040  26.320
    8    HB2  SER   2           1HB      SER   2  29.610  19.749  24.081
    9    HB3  SER   2           2HB      SER   2  28.133  20.078  25.003
   10    HG   SER   2           HG       SER   2  29.399  20.326  26.874
   11    H    SER   3           H        SER   3  26.469  17.848  25.283
   12    HA   SER   3           HA       SER   3  26.321  15.923  23.096
   13    HB2  SER   3           1HB      SER   3  24.780  15.958  25.068
   14    HB3  SER   3           2HB      SER   3  24.063  17.452  24.430
   15    HG   SER   3           HG       SER   3  22.929  15.537  23.781
   16    H    GLY   4           H        GLY   4  25.250  16.213  21.093
   17    HA2  GLY   4           1HA      GLY   4  24.225  18.602  20.016
   18    HA3  GLY   4           2HA      GLY   4  25.938  18.553  19.588
   19    H    SER   5           H        SER   5  23.927  18.552  17.672
   20    HA   SER   5           HA       SER   5  24.477  16.079  16.186
   21    HB2  SER   5           1HB      SER   5  22.111  15.612  15.716
   22    HB3  SER   5           2HB      SER   5  22.470  15.455  17.439
   23    HG   SER   5           HG       SER   5  20.527  16.617  17.073
   24    H    SER   6           H        SER   6  23.651  16.184  13.947
   25    HA   SER   6           HA       SER   6  23.288  18.941  12.850
   26    HB2  SER   6           1HB      SER   6  25.182  16.822  11.768
   27    HB3  SER   6           2HB      SER   6  24.791  18.362  10.985
   28    HG   SER   6           HG       SER   6  26.748  18.461  12.199
   29    H    GLY   7           H        GLY   7  21.954  19.108  11.085
   30    HA2  GLY   7           1HA      GLY   7  20.063  16.959  10.574
   31    HA3  GLY   7           2HA      GLY   7  20.087  18.548   9.816
   32    H    LYS   8           H        LYS   8  19.581  15.981   8.593
   33    HA   LYS   8           HA       LYS   8  21.358  16.244   6.264
   34    HB2  LYS   8           1HB      LYS   8  22.439  14.518   7.719
   35    HB3  LYS   8           2HB      LYS   8  20.966  13.543   7.648
   36    HG2  LYS   8           1HG      LYS   8  21.240  13.197   5.254
   37    HG3  LYS   8           2HG      LYS   8  22.560  14.382   5.185
   38    HD2  LYS   8           1HD      LYS   8  23.966  12.937   6.595
   39    HD3  LYS   8           2HD      LYS   8  22.644  11.759   6.739
   40    HE2  LYS   8           1HE      LYS   8  22.665  11.413   4.290
   41    HE3  LYS   8           2HE      LYS   8  23.931  12.633   4.111
   42    HZ1  LYS   8           3HZ      LYS   8  24.863  10.392   4.128
   43    HZ2  LYS   8           1HZ      LYS   8  24.248  10.084   5.609
   44    HZ3  LYS   8           2HZ      LYS   8  25.410  11.218   5.423
   45    H    ILE   9           H        ILE   9  20.479  15.426   4.352
   46    HA   ILE   9           HA       ILE   9  17.551  14.838   4.335
   47    HB   ILE   9           HB       ILE   9  18.981  16.904   2.613
   48   HG12  ILE   9          1HG1      ILE   9  16.908  17.299   4.825
   49   HG13  ILE   9          2HG1      ILE   9  18.623  17.683   4.962
   50   HG21  ILE   9          1HG2      ILE   9  16.055  16.065   2.693
   51   HG22  ILE   9          2HG2      ILE   9  16.718  17.410   1.735
   52   HG23  ILE   9          3HG2      ILE   9  17.204  15.775   1.362
   53   HD11  ILE   9          3HD1      ILE   9  16.628  19.103   3.185
   54   HD12  ILE   9          1HD1      ILE   9  17.502  19.724   4.591
   55   HD13  ILE   9          2HD1      ILE   9  18.396  19.338   3.107
   56    H    PHE  10           H        PHE  10  16.861  13.492   2.722
   57    HA   PHE  10           HA       PHE  10  18.940  12.135   1.043
   58    HB2  PHE  10           1HB      PHE  10  16.590  10.952   2.575
   59    HB3  PHE  10           2HB      PHE  10  17.654  10.065   1.500
   60    HD1  PHE  10           1HD      PHE  10  17.462  11.832   4.765
   61    HD2  PHE  10           2HD      PHE  10  19.884   9.384   2.169
   62    HE1  PHE  10           1HE      PHE  10  19.034  11.402   6.640
   63    HE2  PHE  10           2HE      PHE  10  21.447   8.944   4.046
   64    HZ   PHE  10           HZ       PHE  10  21.020   9.936   6.285
   65    H    THR  11           H        THR  11  18.404  11.750  -1.112
   66    HA   THR  11           HA       THR  11  15.716  12.673  -2.041
   67    HB   THR  11           HB       THR  11  18.383  13.374  -3.309
   68    HG1  THR  11           1HG      THR  11  18.213  14.526  -1.439
   69   HG21  THR  11          3HG2      THR  11  15.552  14.376  -3.809
   70   HG22  THR  11          1HG2      THR  11  16.536  13.394  -4.920
   71   HG23  THR  11          2HG2      THR  11  17.027  15.049  -4.534
   72    H    CYS  12           H        CYS  12  14.767  11.554  -3.627
   73    HA   CYS  12           HA       CYS  12  15.842   9.000  -4.518
   74    HB2  CYS  12           1HB      CYS  12  13.503   9.324  -3.935
   75    HB3  CYS  12           2HB      CYS  12  13.327  10.557  -5.203
   76    H    GLU  13           H        GLU  13  16.865   8.530  -6.349
   77    HA   GLU  13           HA       GLU  13  17.633  10.673  -8.202
   78    HB2  GLU  13           1HB      GLU  13  19.174   9.102  -9.138
   79    HB3  GLU  13           2HB      GLU  13  19.284   9.057  -7.381
   80    HG2  GLU  13           1HG      GLU  13  17.887   6.979  -7.364
   81    HG3  GLU  13           2HG      GLU  13  17.831   7.022  -9.130
   82    H    TYR  14           H        TYR  14  15.000   8.544  -8.103
   83    HA   TYR  14           HA       TYR  14  14.775   8.309 -11.066
   84    HB2  TYR  14           1HB      TYR  14  13.257   6.976  -8.821
   85    HB3  TYR  14           2HB      TYR  14  13.008   6.673 -10.531
   86    HD1  TYR  14           2HD      TYR  14  14.864   5.633 -11.907
   87    HD2  TYR  14           1HD      TYR  14  15.005   5.871  -7.601
   88    HE1  TYR  14           2HE      TYR  14  16.590   3.837 -11.865
   89    HE2  TYR  14           1HE      TYR  14  16.732   4.065  -7.565
   90    HH   TYR  14           HH       TYR  14  17.948   2.531 -10.563
   91    H    CYS  15           H        CYS  15  13.100   9.832  -8.334
   92    HA   CYS  15           HA       CYS  15  11.308  11.220 -10.261
   93    HB2  CYS  15           1HB      CYS  15   9.385  10.877  -8.883
   94    HB3  CYS  15           2HB      CYS  15  10.086   9.327  -9.348
   95    H    ASN  16           H        ASN  16  13.669  11.801  -8.113
   96    HA   ASN  16           HA       ASN  16  14.425  13.535  -6.951
   97    HB2  ASN  16           1HB      ASN  16  13.993  14.510  -9.256
   98    HB3  ASN  16           2HB      ASN  16  12.562  15.279  -8.572
   99   HD21  ASN  16          1HD2      ASN  16  13.446  17.381  -9.022
  100   HD22  ASN  16          2HD2      ASN  16  14.789  18.007  -8.075
  101    H    LYS  17           H        LYS  17  11.898  12.238  -5.836
  102    HA   LYS  17           HA       LYS  17  10.767  14.239  -4.047
  103    HB2  LYS  17           1HB      LYS  17  10.873  11.202  -3.968
  104    HB3  LYS  17           2HB      LYS  17  10.150  12.171  -2.672
  105    HG2  LYS  17           1HG      LYS  17   8.575  13.196  -4.283
  106    HG3  LYS  17           2HG      LYS  17   9.265  12.193  -5.573
  107    HD2  LYS  17           1HD      LYS  17   8.727  10.164  -4.095
  108    HD3  LYS  17           2HD      LYS  17   7.811  11.248  -3.051
  109    HE2  LYS  17           1HE      LYS  17   7.309  10.720  -6.014
  110    HE3  LYS  17           2HE      LYS  17   6.424   9.985  -4.669
  111    HZ1  LYS  17           3HZ      LYS  17   6.453  12.891  -5.300
  112    HZ2  LYS  17           1HZ      LYS  17   5.660  12.219  -4.036
  113    HZ3  LYS  17           2HZ      LYS  17   5.207  11.876  -5.565
  114    H    VAL  18           H        VAL  18  11.107  14.456  -1.874
  115    HA   VAL  18           HA       VAL  18  13.916  13.973  -0.939
  116    HB   VAL  18           HB       VAL  18  12.236  16.466  -0.497
  117   HG11  VAL  18          1HG1      VAL  18  14.375  17.395   0.408
  118   HG12  VAL  18          2HG1      VAL  18  13.762  16.070   1.396
  119   HG13  VAL  18          3HG1      VAL  18  15.105  15.783   0.261
  120   HG21  VAL  18          3HG2      VAL  18  14.710  16.017  -2.229
  121   HG22  VAL  18          1HG2      VAL  18  13.071  16.364  -2.826
  122   HG23  VAL  18          2HG2      VAL  18  13.945  17.586  -1.905
  123    H    PHE  19           H        PHE  19  14.249  13.304   1.070
  124    HA   PHE  19           HA       PHE  19  11.962  12.790   2.915
  125    HB2  PHE  19           1HB      PHE  19  14.126  10.817   2.074
  126    HB3  PHE  19           2HB      PHE  19  12.827  10.514   3.217
  127    HD1  PHE  19           2HD      PHE  19  10.460  10.285   2.430
  128    HD2  PHE  19           1HD      PHE  19  13.731  10.784  -0.333
  129    HE1  PHE  19           2HE      PHE  19   8.974   9.627   0.549
  130    HE2  PHE  19           1HE      PHE  19  12.248  10.120  -2.207
  131    HZ   PHE  19           HZ       PHE  19   9.851   9.579  -1.779
  132    H    LYS  20           H        LYS  20  12.473  12.633   5.104
  133    HA   LYS  20           HA       LYS  20  14.783  14.215   5.931
  134    HB2  LYS  20           1HB      LYS  20  12.409  14.432   6.772
  135    HB3  LYS  20           2HB      LYS  20  12.638  12.928   7.667
  136    HG2  LYS  20           1HG      LYS  20  14.340  13.932   9.065
  137    HG3  LYS  20           2HG      LYS  20  14.499  15.322   7.981
  138    HD2  LYS  20           1HD      LYS  20  13.315  15.991   9.974
  139    HD3  LYS  20           2HD      LYS  20  12.232  16.085   8.578
  140    HE2  LYS  20           1HE      LYS  20  11.233  13.889   9.223
  141    HE3  LYS  20           2HE      LYS  20  12.330  13.809  10.610
  142    HZ1  LYS  20           3HZ      LYS  20  10.267  15.909  10.193
  143    HZ2  LYS  20           1HZ      LYS  20  11.278  15.831  11.474
  144    HZ3  LYS  20           2HZ      LYS  20  10.151  14.673  11.251
  145    H    PHE  21           H        PHE  21  14.224  10.823   5.741
  146    HA   PHE  21           HA       PHE  21  16.691  10.261   7.321
  147    HB2  PHE  21           1HB      PHE  21  14.089   8.710   7.535
  148    HB3  PHE  21           2HB      PHE  21  15.589   8.356   8.370
  149    HD1  PHE  21           2HD      PHE  21  16.516  10.110  10.036
  150    HD2  PHE  21           1HD      PHE  21  12.472  10.146   8.535
  151    HE1  PHE  21           2HE      PHE  21  15.801  11.475  11.985
  152    HE2  PHE  21           1HE      PHE  21  11.753  11.472  10.504
  153    HZ   PHE  21           HZ       PHE  21  13.420  12.150  12.229
  154    H    LYS  22           H        LYS  22  17.810   8.396   6.809
  155    HA   LYS  22           HA       LYS  22  17.931   7.594   4.096
  156    HB2  LYS  22           1HB      LYS  22  19.727   7.483   5.921
  157    HB3  LYS  22           2HB      LYS  22  18.953   6.005   6.494
  158    HG2  LYS  22           1HG      LYS  22  19.340   4.950   4.269
  159    HG3  LYS  22           2HG      LYS  22  20.060   6.465   3.682
  160    HD2  LYS  22           1HD      LYS  22  21.817   6.285   5.461
  161    HD3  LYS  22           2HD      LYS  22  21.114   4.734   5.968
  162    HE2  LYS  22           1HE      LYS  22  21.510   3.835   3.671
  163    HE3  LYS  22           2HE      LYS  22  22.234   5.380   3.202
  164    HZ1  LYS  22           3HZ      LYS  22  23.288   3.576   5.320
  165    HZ2  LYS  22           1HZ      LYS  22  23.958   5.003   4.889
  166    HZ3  LYS  22           2HZ      LYS  22  23.932   3.760   3.834
  167    H    HIS  23           H        HIS  23  16.367   5.962   6.865
  168    HA   HIS  23           HA       HIS  23  15.561   3.636   5.410
  169    HB2  HIS  23           1HB      HIS  23  14.071   3.209   7.310
  170    HB3  HIS  23           2HB      HIS  23  15.722   3.566   7.783
  171    HD1  HIS  23           1HD      HIS  23  15.981   5.399   9.627
  172    HD2  HIS  23           2HD      HIS  23  12.221   5.320   7.735
  173    HE1  HIS  23           1HE      HIS  23  14.495   7.020  10.915
  174    H    SER  24           H        SER  24  13.968   6.814   5.776
  175    HA   SER  24           HA       SER  24  11.464   6.037   4.588
  176    HB2  SER  24           1HB      SER  24  12.802   8.763   4.687
  177    HB3  SER  24           2HB      SER  24  11.109   8.441   4.258
  178    HG   SER  24           HG       SER  24  11.192   8.962   6.434
  179    H    LEU  25           H        LEU  25  14.480   7.426   3.161
  180    HA   LEU  25           HA       LEU  25  13.479   7.350   0.460
  181    HB2  LEU  25           1HB      LEU  25  15.373   8.753   1.031
  182    HB3  LEU  25           2HB      LEU  25  16.310   7.356   1.569
  183    HG   LEU  25           HG       LEU  25  16.358   6.466  -0.737
  184   HD11  LEU  25          1HD1      LEU  25  14.964   9.056  -1.541
  185   HD12  LEU  25          2HD1      LEU  25  14.247   7.433  -1.636
  186   HD13  LEU  25          3HD1      LEU  25  15.636   7.832  -2.639
  187   HD21  LEU  25          3HD2      LEU  25  18.148   7.988   0.041
  188   HD22  LEU  25          1HD2      LEU  25  17.245   9.360  -0.651
  189   HD23  LEU  25          2HD2      LEU  25  17.871   8.085  -1.708
  190    H    GLN  26           H        GLN  26  15.436   4.952   2.346
  191    HA   GLN  26           HA       GLN  26  15.673   3.042   0.257
  192    HB2  GLN  26           1HB      GLN  26  15.650   2.827   3.282
  193    HB3  GLN  26           2HB      GLN  26  15.829   1.399   2.283
  194    HG2  GLN  26           1HG      GLN  26  17.656   3.845   2.124
  195    HG3  GLN  26           2HG      GLN  26  18.010   2.400   3.061
  196   HE21  GLN  26          1HE2      GLN  26  19.801   3.304   1.081
  197   HE22  GLN  26          2HE2      GLN  26  19.781   2.133  -0.228
  198    H    ALA  27           H        ALA  27  12.993   3.425   2.620
  199    HA   ALA  27           HA       ALA  27  11.511   1.173   1.583
  200    HB1  ALA  27           1HB      ALA  27   9.718   2.058   2.990
  201    HB2  ALA  27           2HB      ALA  27  11.269   2.034   3.860
  202    HB3  ALA  27           3HB      ALA  27  10.628   3.570   3.227
  203    H    HIS  28           H        HIS  28  11.559   4.656   0.722
  204    HA   HIS  28           HA       HIS  28   9.335   4.542  -1.108
  205    HB2  HIS  28           1HB      HIS  28  10.059   6.676  -0.315
  206    HB3  HIS  28           2HB      HIS  28  11.722   6.397  -0.833
  207    HD1  HIS  28           1HD      HIS  28   8.253   6.819  -2.521
  208    HD2  HIS  28           2HD      HIS  28  12.384   7.098  -3.252
  209    HE1  HIS  28           1HE      HIS  28   8.479   7.673  -4.897
  210    H    LEU  29           H        LEU  29  12.864   4.070  -1.608
  211    HA   LEU  29           HA       LEU  29  12.858   3.873  -4.407
  212    HB2  LEU  29           1HB      LEU  29  14.628   2.649  -2.268
  213    HB3  LEU  29           2HB      LEU  29  14.968   2.419  -3.976
  214    HG   LEU  29           HG       LEU  29  14.753   5.182  -2.709
  215   HD11  LEU  29          1HD1      LEU  29  17.224   3.509  -3.328
  216   HD12  LEU  29          2HD1      LEU  29  16.620   3.917  -1.707
  217   HD13  LEU  29          3HD1      LEU  29  17.218   5.197  -2.772
  218   HD21  LEU  29          3HD2      LEU  29  15.877   4.232  -5.368
  219   HD22  LEU  29          1HD2      LEU  29  16.015   5.882  -4.723
  220   HD23  LEU  29          2HD2      LEU  29  14.430   5.238  -5.128
  221    H    ARG  30           H        ARG  30  11.644   1.499  -2.190
  222    HA   ARG  30           HA       ARG  30  11.820  -0.892  -3.678
  223    HB2  ARG  30           1HB      ARG  30   9.591   0.092  -1.841
  224    HB3  ARG  30           2HB      ARG  30   9.787  -1.577  -2.379
  225    HG2  ARG  30           1HG      ARG  30  11.981  -1.732  -1.271
  226    HG3  ARG  30           2HG      ARG  30  11.854  -0.044  -0.749
  227    HD2  ARG  30           1HD      ARG  30   9.804  -0.588   0.527
  228    HD3  ARG  30           2HD      ARG  30   9.981  -2.295   0.069
  229    HE   ARG  30           HE       ARG  30  12.429  -1.649   1.191
  230   HH11  ARG  30          2HH1      ARG  30   9.148  -1.537   2.421
  231   HH12  ARG  30          1HH1      ARG  30   9.665  -1.735   4.073
  232   HH21  ARG  30          2HH2      ARG  30  13.016  -1.917   3.318
  233   HH22  ARG  30          1HH2      ARG  30  11.798  -1.950   4.559
  234    H    ILE  31           H        ILE  31   9.689   1.858  -4.348
  235    HA   ILE  31           HA       ILE  31   7.966   0.333  -6.135
  236    HB   ILE  31           HB       ILE  31   6.879   2.286  -6.656
  237   HG12  ILE  31          1HG1      ILE  31   9.174   3.931  -5.538
  238   HG13  ILE  31          2HG1      ILE  31   8.674   3.798  -7.221
  239   HG21  ILE  31          1HG2      ILE  31   6.601   1.344  -4.339
  240   HG22  ILE  31          2HG2      ILE  31   7.653   2.648  -3.740
  241   HG23  ILE  31          3HG2      ILE  31   6.104   3.025  -4.516
  242   HD11  ILE  31          3HD1      ILE  31   7.835   5.865  -6.416
  243   HD12  ILE  31          1HD1      ILE  31   6.450   4.769  -6.610
  244   HD13  ILE  31          2HD1      ILE  31   7.105   5.106  -4.987
  245    H    HIS  32           H        HIS  32  10.975   2.085  -6.507
  246    HA   HIS  32           HA       HIS  32  10.848   2.111  -9.456
  247    HB2  HIS  32           1HB      HIS  32  13.052   2.980  -7.551
  248    HB3  HIS  32           2HB      HIS  32  12.998   3.268  -9.284
  249    HD1  HIS  32           1HD      HIS  32  10.544   4.773  -9.969
  250    HD2  HIS  32           2HD      HIS  32  12.380   5.061  -6.208
  251    HE1  HIS  32           1HE      HIS  32   9.798   7.002  -9.006
  252    H    THR  33           H        THR  33  12.521   0.313  -6.854
  253    HA   THR  33           HA       THR  33  14.018  -1.368  -8.735
  254    HB   THR  33           HB       THR  33  14.738  -2.608  -6.760
  255    HG1  THR  33           1HG      THR  33  12.928  -2.401  -5.494
  256   HG21  THR  33          3HG2      THR  33  15.956  -0.541  -7.411
  257   HG22  THR  33          1HG2      THR  33  16.010  -0.847  -5.666
  258   HG23  THR  33          2HG2      THR  33  14.927   0.403  -6.310
  259    H    ASN  34           H        ASN  34  11.932  -1.742  -9.921
  260    HA   ASN  34           HA       ASN  34  10.005  -3.546  -8.757
  261    HB2  ASN  34           1HB      ASN  34   9.632  -1.615 -10.439
  262    HB3  ASN  34           2HB      ASN  34  10.164  -2.746 -11.684
  263   HD21  ASN  34          1HD2      ASN  34   7.733  -2.204  -9.110
  264   HD22  ASN  34          2HD2      ASN  34   6.509  -3.220  -9.857
  265    H    GLU  35           H        GLU  35  12.638  -4.669  -8.842
  266    HA   GLU  35           HA       GLU  35  12.791  -6.694 -10.944
  267    HB2  GLU  35           1HB      GLU  35  14.499  -6.278  -8.460
  268    HB3  GLU  35           2HB      GLU  35  14.903  -7.273  -9.868
  269    HG2  GLU  35           1HG      GLU  35  14.830  -5.215 -11.301
  270    HG3  GLU  35           2HG      GLU  35  14.540  -4.240  -9.858
  271    H    LYS  36           H        LYS  36  10.896  -6.575  -8.330
  272    HA   LYS  36           HA       LYS  36  11.100  -8.992  -6.887
  273    HB2  LYS  36           1HB      LYS  36   8.733  -7.209  -7.569
  274    HB3  LYS  36           2HB      LYS  36   8.664  -8.518  -6.382
  275    HG2  LYS  36           1HG      LYS  36  10.324  -7.458  -4.979
  276    HG3  LYS  36           2HG      LYS  36  10.690  -6.246  -6.213
  277    HD2  LYS  36           1HD      LYS  36   8.376  -5.320  -5.995
  278    HD3  LYS  36           2HD      LYS  36   8.054  -6.508  -4.722
  279    HE2  LYS  36           1HE      LYS  36   8.641  -4.476  -3.604
  280    HE3  LYS  36           2HE      LYS  36   9.999  -5.586  -3.425
  281    HZ1  LYS  36           3HZ      LYS  36  11.013  -4.350  -5.401
  282    HZ2  LYS  36           1HZ      LYS  36  10.892  -3.491  -4.020
  283    HZ3  LYS  36           2HZ      LYS  36   9.841  -3.219  -5.224
  284    HA   PRO  37           HA       PRO  37  10.260 -11.623 -10.365
  285    HB2  PRO  37           1HB      PRO  37  10.344 -14.103  -9.182
  286    HB3  PRO  37           2HB      PRO  37  11.776 -13.068  -9.433
  287    HG2  PRO  37           1HG      PRO  37  10.109 -13.327  -6.912
  288    HG3  PRO  37           2HG      PRO  37  11.892 -13.433  -7.075
  289    HD2  PRO  37           1HD      PRO  37  10.691 -11.119  -6.341
  290    HD3  PRO  37           2HD      PRO  37  12.087 -11.104  -7.457
  291    H    TYR  38           H        TYR  38   8.230 -12.123  -7.465
  292    HA   TYR  38           HA       TYR  38   6.317 -13.721  -9.012
  293    HB2  TYR  38           1HB      TYR  38   6.210 -13.003  -6.087
  294    HB3  TYR  38           2HB      TYR  38   5.346 -14.291  -6.912
  295    HD1  TYR  38           1HD      TYR  38   7.438 -15.603  -8.580
  296    HD2  TYR  38           2HD      TYR  38   7.605 -14.062  -4.564
  297    HE1  TYR  38           1HE      TYR  38   9.371 -17.081  -8.099
  298    HE2  TYR  38           2HE      TYR  38   9.497 -15.626  -4.054
  299    HH   TYR  38           HH       TYR  38  10.997 -17.663  -6.583
  300    H    LYS  39           H        LYS  39   5.855 -12.028 -10.435
  301    HA   LYS  39           HA       LYS  39   4.211  -9.746  -9.650
  302    HB2  LYS  39           1HB      LYS  39   5.008 -10.878 -12.344
  303    HB3  LYS  39           2HB      LYS  39   4.006  -9.427 -12.133
  304    HG2  LYS  39           1HG      LYS  39   5.750  -8.313 -10.869
  305    HG3  LYS  39           2HG      LYS  39   6.749  -9.768 -10.866
  306    HD2  LYS  39           1HD      LYS  39   6.801  -9.595 -13.413
  307    HD3  LYS  39           2HD      LYS  39   6.097  -7.976 -13.239
  308    HE2  LYS  39           1HE      LYS  39   8.629  -8.967 -11.863
  309    HE3  LYS  39           2HE      LYS  39   8.639  -8.066 -13.392
  310    HZ1  LYS  39           3HZ      LYS  39   7.616  -6.184 -12.178
  311    HZ2  LYS  39           1HZ      LYS  39   9.045  -6.585 -11.522
  312    HZ3  LYS  39           2HZ      LYS  39   7.669  -7.042 -10.780
  313    H    CYS  40           H        CYS  40   2.057  -9.458  -9.919
  314    HA   CYS  40           HA       CYS  40   0.334 -11.770  -9.819
  315    HB2  CYS  40           1HB      CYS  40  -0.094  -9.835  -8.504
  316    HB3  CYS  40           2HB      CYS  40  -0.181  -8.796  -9.939
  317    HA   PRO  41           HA       PRO  41  -0.464 -11.926 -14.281
  318    HB2  PRO  41           1HB      PRO  41  -2.411 -13.829 -14.342
  319    HB3  PRO  41           2HB      PRO  41  -0.706 -14.209 -13.954
  320    HG2  PRO  41           1HG      PRO  41  -2.997 -13.752 -12.016
  321    HG3  PRO  41           2HG      PRO  41  -1.805 -15.088 -12.025
  322    HD2  PRO  41           1HD      PRO  41  -1.532 -12.845 -10.460
  323    HD3  PRO  41           2HD      PRO  41  -0.122 -13.715 -11.136
  324    H    GLN  42           H        GLN  42  -2.596 -10.708 -11.858
  325    HA   GLN  42           HA       GLN  42  -4.638  -9.871 -13.883
  326    HB2  GLN  42           1HB      GLN  42  -4.870 -10.288 -10.891
  327    HB3  GLN  42           2HB      GLN  42  -6.158  -9.674 -11.915
  328    HG2  GLN  42           1HG      GLN  42  -4.867 -12.426 -12.178
  329    HG3  GLN  42           2HG      GLN  42  -6.373 -12.088 -11.352
  330   HE21  GLN  42          1HE2      GLN  42  -6.389 -13.980 -13.364
  331   HE22  GLN  42          2HE2      GLN  42  -7.248 -13.324 -14.751
  332    H    CYS  43           H        CYS  43  -2.390  -8.505 -11.419
  333    HA   CYS  43           HA       CYS  43  -3.121  -5.826 -12.440
  334    HB2  CYS  43           1HB      CYS  43  -3.540  -4.920 -10.267
  335    HB3  CYS  43           2HB      CYS  43  -4.614  -6.285 -10.528
  336    H    SER  44           H        SER  44  -1.675  -4.216 -10.861
  337    HA   SER  44           HA       SER  44   1.001  -4.609 -11.909
  338    HB2  SER  44           1HB      SER  44   1.398  -2.347 -10.966
  339    HB3  SER  44           2HB      SER  44  -0.026  -2.438 -12.014
  340    HG   SER  44           HG       SER  44  -0.447  -1.284 -10.064
  341    H    TYR  45           H        TYR  45  -0.304  -5.865  -9.136
  342    HA   TYR  45           HA       TYR  45   1.587  -5.431  -7.092
  343    HB2  TYR  45           1HB      TYR  45  -0.580  -6.408  -6.717
  344    HB3  TYR  45           2HB      TYR  45  -0.246  -7.740  -7.805
  345    HD1  TYR  45           1HD      TYR  45   1.490  -9.518  -7.091
  346    HD2  TYR  45           2HD      TYR  45   0.066  -6.447  -4.409
  347    HE1  TYR  45           1HE      TYR  45   2.317 -10.828  -5.147
  348    HE2  TYR  45           2HE      TYR  45   0.873  -7.779  -2.469
  349    HH   TYR  45           HH       TYR  45   1.887  -9.705  -1.786
  350    H    ALA  46           H        ALA  46   3.409  -6.400  -6.453
  351    HA   ALA  46           HA       ALA  46   4.377  -8.873  -7.653
  352    HB1  ALA  46           1HB      ALA  46   5.350  -7.025  -9.090
  353    HB2  ALA  46           2HB      ALA  46   6.203  -6.432  -7.655
  354    HB3  ALA  46           3HB      ALA  46   6.556  -8.061  -8.292
  355    H    SER  47           H        SER  47   5.860 -10.021  -6.330
  356    HA   SER  47           HA       SER  47   6.903  -8.718  -3.896
  357    HB2  SER  47           1HB      SER  47   4.650  -9.724  -3.319
  358    HB3  SER  47           2HB      SER  47   5.347 -11.319  -3.655
  359    HG   SER  47           HG       SER  47   6.296  -9.382  -1.762
  360    H    ALA  48           H        ALA  48   8.369 -10.132  -2.675
  361    HA   ALA  48           HA       ALA  48  10.071 -11.843  -4.413
  362    HB1  ALA  48           1HB      ALA  48  11.124  -9.871  -3.343
  363    HB2  ALA  48           2HB      ALA  48  10.656 -10.503  -1.743
  364    HB3  ALA  48           3HB      ALA  48  11.814 -11.395  -2.751
  365    H    ILE  49           H        ILE  49   7.524 -12.297  -2.329
  366    HA   ILE  49           HA       ILE  49   8.535 -14.966  -1.407
  367    HB   ILE  49           HB       ILE  49   6.590 -13.135   0.036
  368   HG12  ILE  49          1HG1      ILE  49   9.486 -13.850   0.688
  369   HG13  ILE  49          2HG1      ILE  49   8.890 -12.267   0.185
  370   HG21  ILE  49          1HG2      ILE  49   7.805 -15.808   0.887
  371   HG22  ILE  49          2HG2      ILE  49   6.665 -14.825   1.830
  372   HG23  ILE  49          3HG2      ILE  49   6.126 -15.580   0.351
  373   HD11  ILE  49          3HD1      ILE  49   7.469 -12.181   2.256
  374   HD12  ILE  49          1HD1      ILE  49   8.308 -13.651   2.817
  375   HD13  ILE  49          2HD1      ILE  49   9.224 -12.166   2.533
  376    H    LYS  50           H        LYS  50   7.469 -16.653  -2.194
  377    HA   LYS  50           HA       LYS  50   5.360 -16.391  -4.121
  378    HB2  LYS  50           1HB      LYS  50   6.399 -18.831  -2.617
  379    HB3  LYS  50           2HB      LYS  50   5.253 -18.891  -3.968
  380    HG2  LYS  50           1HG      LYS  50   6.980 -17.755  -5.404
  381    HG3  LYS  50           2HG      LYS  50   8.127 -17.926  -4.049
  382    HD2  LYS  50           1HD      LYS  50   7.779 -20.387  -4.084
  383    HD3  LYS  50           2HD      LYS  50   6.685 -20.199  -5.475
  384    HE2  LYS  50           1HE      LYS  50   8.539 -19.181  -6.778
  385    HE3  LYS  50           2HE      LYS  50   9.622 -19.398  -5.395
  386    HZ1  LYS  50           3HZ      LYS  50   8.281 -21.607  -6.864
  387    HZ2  LYS  50           1HZ      LYS  50   9.281 -21.803  -5.586
  388    HZ3  LYS  50           2HZ      LYS  50   9.858 -21.213  -6.991
  389    H    ALA  51           H        ALA  51   5.221 -17.415  -0.710
  390    HA   ALA  51           HA       ALA  51   2.431 -18.000  -0.633
  391    HB1  ALA  51           1HB      ALA  51   2.739 -17.833   1.814
  392    HB2  ALA  51           2HB      ALA  51   4.075 -18.731   1.066
  393    HB3  ALA  51           3HB      ALA  51   4.313 -17.043   1.580
  394    H    ASN  52           H        ASN  52   4.127 -14.875  -0.472
  395    HA   ASN  52           HA       ASN  52   1.850 -13.381   0.514
  396    HB2  ASN  52           1HB      ASN  52   4.323 -12.744   0.641
  397    HB3  ASN  52           2HB      ASN  52   4.227 -12.341  -1.078
  398   HD21  ASN  52          1HD2      ASN  52   4.820 -10.192  -0.497
  399   HD22  ASN  52          2HD2      ASN  52   3.664  -9.101   0.270
  400    H    LEU  53           H        LEU  53   3.184 -14.012  -2.799
  401    HA   LEU  53           HA       LEU  53   1.036 -12.753  -4.189
  402    HB2  LEU  53           1HB      LEU  53   3.146 -13.318  -5.286
  403    HB3  LEU  53           2HB      LEU  53   2.866 -15.038  -5.007
  404    HG   LEU  53           HG       LEU  53   0.876 -14.970  -6.491
  405   HD11  LEU  53          1HD1      LEU  53   1.727 -12.108  -7.115
  406   HD12  LEU  53          2HD1      LEU  53   0.244 -12.572  -6.252
  407   HD13  LEU  53          3HD1      LEU  53   0.455 -13.036  -7.937
  408   HD21  LEU  53          3HD2      LEU  53   3.127 -15.517  -7.381
  409   HD22  LEU  53          1HD2      LEU  53   3.320 -13.810  -7.846
  410   HD23  LEU  53          2HD2      LEU  53   2.047 -14.793  -8.588
  411    H    ASN  54           H        ASN  54   1.313 -16.081  -2.839
  412    HA   ASN  54           HA       ASN  54  -1.104 -17.093  -3.930
  413    HB2  ASN  54           1HB      ASN  54   0.740 -18.356  -2.686
  414    HB3  ASN  54           2HB      ASN  54   0.019 -17.787  -1.180
  415   HD21  ASN  54          1HD2      ASN  54  -0.283 -20.001  -3.850
  416   HD22  ASN  54          2HD2      ASN  54  -1.701 -20.836  -3.234
  417    H    VAL  55           H        VAL  55  -0.629 -15.390  -0.787
  418    HA   VAL  55           HA       VAL  55  -3.427 -15.253  -0.101
  419    HB   VAL  55           HB       VAL  55  -1.047 -13.594   0.771
  420   HG11  VAL  55          1HG1      VAL  55  -3.861 -13.655   1.947
  421   HG12  VAL  55          2HG1      VAL  55  -2.440 -12.938   2.735
  422   HG13  VAL  55          3HG1      VAL  55  -3.042 -12.247   1.231
  423   HG21  VAL  55          3HG2      VAL  55  -0.989 -16.006   1.393
  424   HG22  VAL  55          1HG2      VAL  55  -1.181 -14.967   2.806
  425   HG23  VAL  55          2HG2      VAL  55  -2.584 -15.841   2.148
  426    H    HIS  56           H        HIS  56  -1.372 -13.098  -2.052
  427    HA   HIS  56           HA       HIS  56  -3.370 -11.066  -2.426
  428    HB2  HIS  56           1HB      HIS  56  -1.000 -10.672  -2.826
  429    HB3  HIS  56           2HB      HIS  56  -0.983 -11.871  -4.122
  430    HD1  HIS  56           1HD      HIS  56  -2.699  -8.486  -3.370
  431    HD2  HIS  56           2HD      HIS  56  -1.685 -11.092  -6.510
  432    HE1  HIS  56           1HE      HIS  56  -3.451  -7.330  -5.489
  433    H    LEU  57           H        LEU  57  -2.591 -13.957  -4.443
  434    HA   LEU  57           HA       LEU  57  -4.618 -13.532  -6.434
  435    HB2  LEU  57           1HB      LEU  57  -3.177 -15.951  -5.361
  436    HB3  LEU  57           2HB      LEU  57  -4.323 -16.094  -6.684
  437    HG   LEU  57           HG       LEU  57  -1.884 -14.266  -6.827
  438   HD11  LEU  57          1HD1      LEU  57  -2.218 -17.145  -7.768
  439   HD12  LEU  57          2HD1      LEU  57  -1.189 -16.592  -6.428
  440   HD13  LEU  57          3HD1      LEU  57  -0.816 -16.093  -8.091
  441   HD21  LEU  57          3HD2      LEU  57  -3.753 -15.447  -8.930
  442   HD22  LEU  57          1HD2      LEU  57  -2.257 -14.562  -9.269
  443   HD23  LEU  57          2HD2      LEU  57  -3.603 -13.729  -8.482
  444    H    ARG  58           H        ARG  58  -4.770 -15.063  -3.236
  445    HA   ARG  58           HA       ARG  58  -7.455 -16.053  -3.419
  446    HB2  ARG  58           1HB      ARG  58  -5.784 -15.183  -1.052
  447    HB3  ARG  58           2HB      ARG  58  -7.421 -15.815  -0.873
  448    HG2  ARG  58           1HG      ARG  58  -6.840 -17.929  -1.857
  449    HG3  ARG  58           2HG      ARG  58  -5.259 -17.345  -2.370
  450    HD2  ARG  58           1HD      ARG  58  -4.634 -17.000   0.036
  451    HD3  ARG  58           2HD      ARG  58  -6.169 -17.725   0.517
  452    HE   ARG  58           HE       ARG  58  -3.797 -19.049  -0.679
  453   HH11  ARG  58          2HH1      ARG  58  -7.136 -19.581   0.286
  454   HH12  ARG  58          1HH1      ARG  58  -6.966 -21.318   0.205
  455   HH21  ARG  58          2HH2      ARG  58  -3.628 -21.196  -0.664
  456   HH22  ARG  58          1HH2      ARG  58  -4.995 -22.212  -0.279
  457    H    LYS  59           H        LYS  59  -6.432 -12.744  -3.334
  458    HA   LYS  59           HA       LYS  59  -9.111 -11.719  -2.619
  459    HB2  LYS  59           1HB      LYS  59  -6.793 -10.209  -3.898
  460    HB3  LYS  59           2HB      LYS  59  -8.236  -9.537  -3.143
  461    HG2  LYS  59           1HG      LYS  59  -7.496 -10.616  -0.960
  462    HG3  LYS  59           2HG      LYS  59  -5.961 -11.014  -1.764
  463    HD2  LYS  59           1HD      LYS  59  -5.555  -8.617  -2.207
  464    HD3  LYS  59           2HD      LYS  59  -7.098  -8.208  -1.422
  465    HE2  LYS  59           1HE      LYS  59  -6.280  -9.292   0.682
  466    HE3  LYS  59           2HE      LYS  59  -4.726  -9.606  -0.098
  467    HZ1  LYS  59           3HZ      LYS  59  -5.890  -6.907   0.378
  468    HZ2  LYS  59           1HZ      LYS  59  -4.452  -7.183  -0.348
  469    HZ3  LYS  59           2HZ      LYS  59  -4.661  -7.566   1.225
  470    H    HIS  60           H        HIS  60  -7.320 -12.465  -5.574
  471    HA   HIS  60           HA       HIS  60  -9.296 -11.282  -7.376
  472    HB2  HIS  60           1HB      HIS  60  -6.861 -13.061  -7.806
  473    HB3  HIS  60           2HB      HIS  60  -7.888 -12.481  -9.107
  474    HD1  HIS  60           1HD      HIS  60  -8.155  -9.572  -8.986
  475    HD2  HIS  60           2HD      HIS  60  -4.757 -11.567  -7.505
  476    HE1  HIS  60           1HE      HIS  60  -6.303  -7.841  -8.976
  477    H    THR  61           H        THR  61  -8.607 -14.573  -6.200
  478    HA   THR  61           HA       THR  61 -10.216 -15.916  -8.137
  479    HB   THR  61           HB       THR  61  -8.292 -16.799  -6.751
  480    HG1  THR  61           1HG      THR  61  -9.072 -18.862  -6.890
  481   HG21  THR  61          3HG2      THR  61  -9.379 -16.183  -4.510
  482   HG22  THR  61          1HG2      THR  61  -8.679 -17.810  -4.641
  483   HG23  THR  61          2HG2      THR  61 -10.441 -17.581  -4.746
  484    H    GLY  62           H        GLY  62 -11.260 -14.233  -5.323
  485    HA2  GLY  62           1HA      GLY  62 -13.447 -13.768  -4.645
  486    HA3  GLY  62           2HA      GLY  62 -14.060 -14.948  -5.796
  487    H    GLU  63           H        GLU  63 -15.499 -15.859  -4.298
  488    HA   GLU  63           HA       GLU  63 -14.814 -16.611  -1.641
  489    HB2  GLU  63           1HB      GLU  63 -17.083 -16.013  -2.418
  490    HB3  GLU  63           2HB      GLU  63 -17.154 -17.502  -3.373
  491    HG2  GLU  63           1HG      GLU  63 -17.038 -18.863  -1.345
  492    HG3  GLU  63           2HG      GLU  63 -16.737 -17.431  -0.355
  493    H    LYS  64           H        LYS  64 -14.018 -18.297  -0.806
  494    HA   LYS  64           HA       LYS  64 -14.006 -20.947  -2.179
  495    HB2  LYS  64           1HB      LYS  64 -11.739 -19.862  -0.461
  496    HB3  LYS  64           2HB      LYS  64 -11.861 -21.492  -1.123
  497    HG2  LYS  64           1HG      LYS  64 -11.918 -20.364  -3.461
  498    HG3  LYS  64           2HG      LYS  64 -11.444 -18.885  -2.622
  499    HD2  LYS  64           1HD      LYS  64  -9.401 -19.794  -3.362
  500    HD3  LYS  64           2HD      LYS  64  -9.466 -20.236  -1.649
  501    HE2  LYS  64           1HE      LYS  64 -10.422 -22.491  -2.389
  502    HE3  LYS  64           2HE      LYS  64 -10.132 -21.992  -4.059
  503    HZ1  LYS  64           3HZ      LYS  64  -8.299 -23.325  -3.257
  504    HZ2  LYS  64           1HZ      LYS  64  -8.049 -22.364  -1.977
  505    HZ3  LYS  64           2HZ      LYS  64  -7.747 -21.802  -3.497
  506    H    PHE  65           H        PHE  65 -14.249 -22.714  -0.906
  507    HA   PHE  65           HA       PHE  65 -15.310 -22.362   1.862
  508    HB2  PHE  65           1HB      PHE  65 -15.514 -24.733  -0.034
  509    HB3  PHE  65           2HB      PHE  65 -16.239 -24.607   1.567
  510    HD1  PHE  65           1HD      PHE  65 -16.452 -23.465  -1.942
  511    HD2  PHE  65           2HD      PHE  65 -18.195 -23.177   1.991
  512    HE1  PHE  65           1HE      PHE  65 -18.452 -22.345  -2.909
  513    HE2  PHE  65           2HE      PHE  65 -20.200 -22.074   1.019
  514    HZ   PHE  65           HZ       PHE  65 -20.332 -21.667  -1.430
  515    H    ALA  66           H        ALA  66 -14.409 -23.652   3.560
  516    HA   ALA  66           HA       ALA  66 -11.622 -24.607   3.040
  517    HB1  ALA  66           1HB      ALA  66 -11.679 -22.270   3.880
  518    HB2  ALA  66           2HB      ALA  66 -12.588 -22.818   5.306
  519    HB3  ALA  66           3HB      ALA  66 -10.926 -23.387   5.038
  520    H    CYS  67           H        CYS  67 -10.864 -26.305   4.126
  521    HA   CYS  67           HA       CYS  67 -12.672 -28.144   5.387
  522    HB2  CYS  67           1HB      CYS  67 -10.740 -28.666   3.924
  523    HB3  CYS  67           2HB      CYS  67  -9.641 -28.125   5.200
  524    H    ASP  68           H        ASP  68 -12.804 -28.867   7.433
  525    HA   ASP  68           HA       ASP  68 -12.003 -27.025   9.621
  526    HB2  ASP  68           1HB      ASP  68 -14.372 -27.829   9.337
  527    HB3  ASP  68           2HB      ASP  68 -13.814 -29.462   9.694
  528    H    TYR  69           H        TYR  69 -10.794 -29.786   8.112
  529    HA   TYR  69           HA       TYR  69  -9.525 -30.901  10.585
  530    HB2  TYR  69           1HB      TYR  69 -10.164 -32.238   7.965
  531    HB3  TYR  69           2HB      TYR  69  -9.537 -33.024   9.405
  532    HD1  TYR  69           1HD      TYR  69 -11.015 -33.315  11.410
  533    HD2  TYR  69           2HD      TYR  69 -12.495 -31.701   7.692
  534    HE1  TYR  69           1HE      TYR  69 -13.354 -33.725  12.158
  535    HE2  TYR  69           2HE      TYR  69 -14.831 -32.111   8.441
  536    HH   TYR  69           HH       TYR  69 -16.185 -32.831  10.138
  537    H    CYS  70           H        CYS  70  -8.804 -29.517   7.442
  538    HA   CYS  70           HA       CYS  70  -5.937 -29.593   8.022
  539    HB2  CYS  70           1HB      CYS  70  -5.238 -30.542   5.954
  540    HB3  CYS  70           2HB      CYS  70  -6.319 -31.665   6.753
  541    H    SER  71           H        SER  71  -4.885 -28.504   5.814
  542    HA   SER  71           HA       SER  71  -5.867 -25.754   5.866
  543    HB2  SER  71           1HB      SER  71  -3.491 -26.947   4.399
  544    HB3  SER  71           2HB      SER  71  -3.807 -25.223   4.674
  545    HG   SER  71           HG       SER  71  -2.337 -26.092   6.214
  546    H    PHE  72           H        PHE  72  -6.957 -28.233   3.989
  547    HA   PHE  72           HA       PHE  72  -6.752 -27.312   1.317
  548    HB2  PHE  72           1HB      PHE  72  -7.319 -29.583   1.929
  549    HB3  PHE  72           2HB      PHE  72  -8.791 -29.049   2.722
  550    HD1  PHE  72           1HD      PHE  72  -7.161 -29.535  -0.588
  551    HD2  PHE  72           2HD      PHE  72 -10.827 -28.675   1.514
  552    HE1  PHE  72           1HE      PHE  72  -8.462 -30.002  -2.654
  553    HE2  PHE  72           2HE      PHE  72 -12.123 -29.156  -0.546
  554    HZ   PHE  72           HZ       PHE  72 -10.943 -29.833  -2.628
  555    H    THR  73           H        THR  73  -7.917 -26.030   0.007
  556    HA   THR  73           HA       THR  73 -10.517 -24.942   0.848
  557    HB   THR  73           HB       THR  73  -9.953 -22.662   0.016
  558    HG1  THR  73           1HG      THR  73  -7.321 -23.701   0.148
  559   HG21  THR  73          3HG2      THR  73  -8.210 -23.482   2.372
  560   HG22  THR  73          1HG2      THR  73  -9.944 -23.118   2.451
  561   HG23  THR  73          2HG2      THR  73  -8.802 -21.851   1.985
  562    H    CYS  74           H        CYS  74 -11.966 -24.646  -0.809
  563    HA   CYS  74           HA       CYS  74 -11.071 -24.961  -3.631
  564    HB2  CYS  74           1HB      CYS  74 -12.580 -26.831  -4.000
  565    HB3  CYS  74           2HB      CYS  74 -11.445 -27.232  -2.702
  566    HG   CYS  74           HG       CYS  74 -13.871 -28.202  -2.181
  567    H    LEU  75           H        LEU  75 -12.996 -24.786  -5.178
  568    HA   LEU  75           HA       LEU  75 -14.408 -22.299  -4.483
  569    HB2  LEU  75           1HB      LEU  75 -13.782 -23.814  -7.020
  570    HB3  LEU  75           2HB      LEU  75 -15.105 -22.663  -7.015
  571    HG   LEU  75           HG       LEU  75 -13.630 -20.847  -6.281
  572   HD11  LEU  75          1HD1      LEU  75 -11.890 -22.068  -5.080
  573   HD12  LEU  75          2HD1      LEU  75 -11.171 -21.121  -6.384
  574   HD13  LEU  75          3HD1      LEU  75 -11.375 -22.880  -6.578
  575   HD21  LEU  75          3HD2      LEU  75 -14.022 -21.263  -8.682
  576   HD22  LEU  75          1HD2      LEU  75 -12.610 -22.344  -8.733
  577   HD23  LEU  75          2HD2      LEU  75 -12.401 -20.609  -8.395
  578    H    SER  76           H        SER  76 -15.320 -25.564  -4.251
  579    HA   SER  76           HA       SER  76 -18.232 -24.866  -4.379
  580    HB2  SER  76           1HB      SER  76 -16.906 -27.302  -5.628
  581    HB3  SER  76           2HB      SER  76 -18.653 -27.023  -5.502
  582    HG   SER  76           HG       SER  76 -17.814 -26.390  -7.547
  583    H    LYS  77           H        LYS  77 -19.260 -25.385  -2.575
  584    HA   LYS  77           HA       LYS  77 -18.098 -26.782  -0.406
  585    HB2  LYS  77           1HB      LYS  77 -19.970 -25.047  -0.429
  586    HB3  LYS  77           2HB      LYS  77 -21.080 -26.356  -0.850
  587    HG2  LYS  77           1HG      LYS  77 -20.456 -27.538   1.255
  588    HG3  LYS  77           2HG      LYS  77 -19.298 -26.245   1.632
  589    HD2  LYS  77           1HD      LYS  77 -21.161 -24.605   1.713
  590    HD3  LYS  77           2HD      LYS  77 -22.317 -25.901   1.334
  591    HE2  LYS  77           1HE      LYS  77 -21.629 -27.106   3.401
  592    HE3  LYS  77           2HE      LYS  77 -20.485 -25.812   3.777
  593    HZ1  LYS  77           3HZ      LYS  77 -23.434 -25.476   3.588
  594    HZ2  LYS  77           1HZ      LYS  77 -22.377 -24.278   3.936
  595    HZ3  LYS  77           2HZ      LYS  77 -22.578 -25.519   4.976
  596    H    GLY  78           H        GLY  78 -20.121 -28.063  -3.013
  597    HA2  GLY  78           1HA      GLY  78 -20.600 -30.681  -1.947
  598    HA3  GLY  78           2HA      GLY  78 -20.548 -30.242  -3.659
  599    H    HIS  79           H        HIS  79 -17.745 -29.311  -3.642
  600    HA   HIS  79           HA       HIS  79 -16.394 -31.892  -3.785
  601    HB2  HIS  79           1HB      HIS  79 -15.997 -30.089  -5.439
  602    HB3  HIS  79           2HB      HIS  79 -15.241 -29.115  -4.172
  603    HD1  HIS  79           1HD      HIS  79 -12.675 -29.257  -4.673
  604    HD2  HIS  79           2HD      HIS  79 -14.716 -32.906  -5.113
  605    HE1  HIS  79           1HE      HIS  79 -10.896 -31.018  -5.150
  606    H    LEU  80           H        LEU  80 -16.446 -29.137  -1.507
  607    HA   LEU  80           HA       LEU  80 -14.369 -30.118   0.197
  608    HB2  LEU  80           1HB      LEU  80 -15.277 -27.804   0.286
  609    HB3  LEU  80           2HB      LEU  80 -16.800 -28.431   0.905
  610    HG   LEU  80           HG       LEU  80 -15.642 -29.288   2.928
  611   HD11  LEU  80          1HD1      LEU  80 -13.330 -28.522   3.394
  612   HD12  LEU  80          2HD1      LEU  80 -13.193 -27.916   1.731
  613   HD13  LEU  80          3HD1      LEU  80 -13.369 -29.660   2.061
  614   HD21  LEU  80          3HD2      LEU  80 -15.014 -26.368   2.412
  615   HD22  LEU  80          1HD2      LEU  80 -15.288 -27.157   3.980
  616   HD23  LEU  80          2HD2      LEU  80 -16.628 -26.994   2.837
  617    H    LYS  81           H        LYS  81 -17.912 -30.679   0.257
  618    HA   LYS  81           HA       LYS  81 -18.075 -32.337   2.538
  619    HB2  LYS  81           1HB      LYS  81 -19.991 -31.371   1.381
  620    HB3  LYS  81           2HB      LYS  81 -19.664 -32.315  -0.063
  621    HG2  LYS  81           1HG      LYS  81 -21.575 -33.145   1.218
  622    HG3  LYS  81           2HG      LYS  81 -20.316 -34.366   1.017
  623    HD2  LYS  81           1HD      LYS  81 -19.645 -34.211   3.312
  624    HD3  LYS  81           2HD      LYS  81 -20.504 -32.682   3.543
  625    HE2  LYS  81           1HE      LYS  81 -21.633 -34.604   4.624
  626    HE3  LYS  81           2HE      LYS  81 -22.653 -33.748   3.466
  627    HZ1  LYS  81           3HZ      LYS  81 -22.756 -36.217   3.287
  628    HZ2  LYS  81           1HZ      LYS  81 -21.193 -36.261   2.794
  629    HZ3  LYS  81           2HZ      LYS  81 -22.318 -35.512   1.884
  630    H    VAL  82           H        VAL  82 -17.424 -33.359  -0.842
  631    HA   VAL  82           HA       VAL  82 -16.943 -36.103   0.022
  632    HB   VAL  82           HB       VAL  82 -17.939 -35.408  -2.141
  633   HG11  VAL  82          1HG1      VAL  82 -16.602 -34.941  -4.054
  634   HG12  VAL  82          2HG1      VAL  82 -16.248 -33.739  -2.807
  635   HG13  VAL  82          3HG1      VAL  82 -15.104 -35.059  -3.120
  636   HG21  VAL  82          3HG2      VAL  82 -15.618 -37.366  -2.320
  637   HG22  VAL  82          1HG2      VAL  82 -17.230 -37.727  -1.665
  638   HG23  VAL  82          2HG2      VAL  82 -17.042 -37.306  -3.376
  639    H    HIS  83           H        HIS  83 -14.817 -33.315  -0.404
  640    HA   HIS  83           HA       HIS  83 -12.295 -34.743  -0.182
  641    HB2  HIS  83           1HB      HIS  83 -12.150 -32.431  -0.728
  642    HB3  HIS  83           2HB      HIS  83 -13.174 -31.955   0.612
  643    HD1  HIS  83           1HD      HIS  83  -9.538 -32.920  -0.063
  644    HD2  HIS  83           2HD      HIS  83 -12.087 -31.691   3.039
  645    HE1  HIS  83           1HE      HIS  83  -8.027 -32.378   1.899
  646    H    ILE  84           H        ILE  84 -14.552 -33.509   2.336
  647    HA   ILE  84           HA       ILE  84 -13.028 -34.451   4.552
  648    HB   ILE  84           HB       ILE  84 -15.987 -33.866   4.259
  649   HG12  ILE  84          1HG1      ILE  84 -13.810 -32.277   5.698
  650   HG13  ILE  84          2HG1      ILE  84 -14.208 -31.998   4.013
  651   HG21  ILE  84          1HG2      ILE  84 -15.734 -35.416   6.142
  652   HG22  ILE  84          2HG2      ILE  84 -14.392 -34.444   6.801
  653   HG23  ILE  84          3HG2      ILE  84 -16.052 -33.809   6.763
  654   HD11  ILE  84          3HD1      ILE  84 -15.351 -30.365   5.348
  655   HD12  ILE  84          1HD1      ILE  84 -16.549 -31.453   4.622
  656   HD13  ILE  84          2HD1      ILE  84 -16.119 -31.611   6.342
  657    H    GLU  85           H        GLU  85 -15.673 -36.109   2.770
  658    HA   GLU  85           HA       GLU  85 -15.492 -38.503   4.320
  659    HB2  GLU  85           1HB      GLU  85 -16.595 -37.938   1.552
  660    HB3  GLU  85           2HB      GLU  85 -16.666 -39.537   2.312
  661    HG2  GLU  85           1HG      GLU  85 -17.870 -38.599   4.255
  662    HG3  GLU  85           2HG      GLU  85 -17.806 -36.989   3.539
  663    H    ARG  86           H        ARG  86 -13.718 -37.585   1.356
  664    HA   ARG  86           HA       ARG  86 -12.443 -40.174   0.966
  665    HB2  ARG  86           1HB      ARG  86 -11.875 -37.386  -0.057
  666    HB3  ARG  86           2HB      ARG  86 -10.876 -38.778  -0.478
  667    HG2  ARG  86           1HG      ARG  86 -12.760 -39.966  -1.452
  668    HG3  ARG  86           2HG      ARG  86 -13.881 -38.677  -1.011
  669    HD2  ARG  86           1HD      ARG  86 -11.474 -38.404  -2.847
  670    HD3  ARG  86           2HD      ARG  86 -13.158 -38.574  -3.387
  671    HE   ARG  86           HE       ARG  86 -13.180 -36.395  -1.664
  672   HH11  ARG  86          2HH1      ARG  86 -11.598 -37.060  -4.727
  673   HH12  ARG  86          1HH1      ARG  86 -11.495 -35.369  -5.145
  674   HH21  ARG  86          2HH2      ARG  86 -12.997 -34.213  -2.303
  675   HH22  ARG  86          1HH2      ARG  86 -12.316 -33.842  -3.855
  676    H    VAL  87           H        VAL  87 -11.368 -37.183   2.586
  677    HA   VAL  87           HA       VAL  87  -8.716 -38.416   3.096
  678    HB   VAL  87           HB       VAL  87  -9.586 -35.528   3.411
  679   HG11  VAL  87          1HG1      VAL  87  -6.814 -36.796   3.254
  680   HG12  VAL  87          2HG1      VAL  87  -7.157 -35.053   3.285
  681   HG13  VAL  87          3HG1      VAL  87  -7.531 -36.045   4.691
  682   HG21  VAL  87          3HG2      VAL  87  -9.774 -36.184   1.041
  683   HG22  VAL  87          1HG2      VAL  87  -8.340 -35.188   1.262
  684   HG23  VAL  87          2HG2      VAL  87  -8.172 -36.948   1.102
  685    H    HIS  88           H        HIS  88 -11.472 -37.196   5.012
  686    HA   HIS  88           HA       HIS  88  -9.840 -37.608   7.489
  687    HB2  HIS  88           1HB      HIS  88 -12.154 -35.714   7.012
  688    HB3  HIS  88           2HB      HIS  88 -11.156 -35.821   8.461
  689    HD1  HIS  88           1HD      HIS  88  -8.298 -35.485   7.669
  690    HD2  HIS  88           2HD      HIS  88 -11.452 -33.695   5.560
  691    HE1  HIS  88           1HE      HIS  88  -7.267 -33.547   6.390
  692    H    LYS  89           H        LYS  89 -12.714 -38.831   5.978
  693    HA   LYS  89           HA       LYS  89 -13.635 -39.988   8.586
  694    HB2  LYS  89           1HB      LYS  89 -15.211 -39.711   6.022
  695    HB3  LYS  89           2HB      LYS  89 -15.827 -40.241   7.575
  696    HG2  LYS  89           1HG      LYS  89 -14.766 -37.444   7.002
  697    HG3  LYS  89           2HG      LYS  89 -16.463 -37.915   7.071
  698    HD2  LYS  89           1HD      LYS  89 -16.230 -38.526   9.444
  699    HD3  LYS  89           2HD      LYS  89 -14.500 -38.123   9.397
  700    HE2  LYS  89           1HE      LYS  89 -15.038 -35.788   8.805
  701    HE3  LYS  89           2HE      LYS  89 -16.766 -36.161   8.862
  702    HZ1  LYS  89           3HZ      LYS  89 -16.539 -36.655  11.217
  703    HZ2  LYS  89           1HZ      LYS  89 -15.919 -35.163  10.940
  704    HZ3  LYS  89           2HZ      LYS  89 -14.918 -36.430  11.177
  705    H    LYS  90           H        LYS  90 -11.562 -41.063   6.510
  706    HA   LYS  90           HA       LYS  90 -12.267 -43.874   7.079
  707    HB2  LYS  90           1HB      LYS  90 -11.760 -44.681   4.867
  708    HB3  LYS  90           2HB      LYS  90 -13.099 -43.544   4.792
  709    HG2  LYS  90           1HG      LYS  90 -11.619 -41.773   3.953
  710    HG3  LYS  90           2HG      LYS  90 -10.209 -42.827   4.091
  711    HD2  LYS  90           1HD      LYS  90 -12.606 -43.380   2.290
  712    HD3  LYS  90           2HD      LYS  90 -11.096 -42.618   1.769
  713    HE2  LYS  90           1HE      LYS  90  -9.826 -44.643   2.496
  714    HE3  LYS  90           2HE      LYS  90 -11.350 -45.430   2.926
  715    HZ1  LYS  90           3HZ      LYS  90 -10.618 -44.522   0.194
  716    HZ2  LYS  90           1HZ      LYS  90 -12.030 -45.244   0.593
  717    HZ3  LYS  90           2HZ      LYS  90 -10.629 -46.071   0.704
  718    H    ILE  91           H        ILE  91 -10.483 -45.359   6.827
  719    HA   ILE  91           HA       ILE  91  -7.933 -44.213   7.758
  720    HB   ILE  91           HB       ILE  91  -7.305 -46.504   8.274
  721   HG12  ILE  91          1HG1      ILE  91 -10.097 -47.334   7.354
  722   HG13  ILE  91          2HG1      ILE  91  -8.604 -47.657   6.469
  723   HG21  ILE  91          1HG2      ILE  91 -10.045 -45.816   9.415
  724   HG22  ILE  91          2HG2      ILE  91  -8.752 -46.746  10.195
  725   HG23  ILE  91          3HG2      ILE  91  -8.525 -45.025   9.884
  726   HD11  ILE  91          3HD1      ILE  91  -7.744 -48.946   8.431
  727   HD12  ILE  91          1HD1      ILE  91  -9.332 -48.741   9.213
  728   HD13  ILE  91          2HD1      ILE  91  -9.204 -49.637   7.691
  729    H    LYS  92           H        LYS  92  -5.930 -45.093   6.969
  730    HA   LYS  92           HA       LYS  92  -5.675 -44.975   4.048
  731    HB2  LYS  92           1HB      LYS  92  -4.101 -43.785   5.557
  732    HB3  LYS  92           2HB      LYS  92  -3.613 -45.318   6.265
  733    HG2  LYS  92           1HG      LYS  92  -1.943 -44.534   4.684
  734    HG3  LYS  92           2HG      LYS  92  -2.633 -46.060   4.153
  735    HD2  LYS  92           1HD      LYS  92  -2.282 -44.556   2.270
  736    HD3  LYS  92           2HD      LYS  92  -4.005 -44.883   2.465
  737    HE2  LYS  92           1HE      LYS  92  -4.299 -42.702   3.615
  738    HE3  LYS  92           2HE      LYS  92  -2.563 -42.394   3.489
  739    HZ1  LYS  92           3HZ      LYS  92  -2.802 -42.406   1.065
  740    HZ2  LYS  92           1HZ      LYS  92  -3.793 -41.285   1.712
  741    HZ3  LYS  92           2HZ      LYS  92  -4.406 -42.698   1.176
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1  -7.057  33.669 -15.900
    2    H2   GLY   1           2H       GLY   1  -6.708  34.460 -14.510
    3    H3   GLY   1           3H       GLY   1  -7.517  35.231 -15.708
    4    HA2  GLY   1           1HA      GLY   1  -9.035  34.630 -13.937
    5    HA3  GLY   1           2HA      GLY   1  -9.424  33.800 -15.455
    6    H    SER   2           H        SER   2 -10.035  33.006 -12.691
    7    HA   SER   2           HA       SER   2  -8.269  30.855 -11.905
    8    HB2  SER   2           1HB      SER   2 -11.002  31.607 -10.822
    9    HB3  SER   2           2HB      SER   2  -9.791  30.575 -10.035
   10    HG   SER   2           HG       SER   2  -9.721  32.742  -9.265
   11    H    SER   3           H        SER   3  -9.130  30.255 -14.486
   12    HA   SER   3           HA       SER   3 -11.438  28.549 -14.580
   13    HB2  SER   3           1HB      SER   3  -9.142  28.765 -16.558
   14    HB3  SER   3           2HB      SER   3 -10.767  28.130 -16.878
   15    HG   SER   3           HG       SER   3 -10.565  30.308 -17.556
   16    H    GLY   4           H        GLY   4  -8.230  27.826 -13.550
   17    HA2  GLY   4           1HA      GLY   4  -8.805  25.140 -12.837
   18    HA3  GLY   4           2HA      GLY   4  -7.887  25.119 -14.346
   19    H    SER   5           H        SER   5  -6.746  23.886 -12.284
   20    HA   SER   5           HA       SER   5  -4.913  25.628 -10.793
   21    HB2  SER   5           1HB      SER   5  -4.097  23.484  -9.840
   22    HB3  SER   5           2HB      SER   5  -5.832  23.760  -9.623
   23    HG   SER   5           HG       SER   5  -5.373  21.617 -10.318
   24    H    SER   6           H        SER   6  -2.612  25.400 -10.818
   25    HA   SER   6           HA       SER   6  -1.457  25.419 -13.452
   26    HB2  SER   6           1HB      SER   6  -0.090  25.408 -10.737
   27    HB3  SER   6           2HB      SER   6   0.658  25.831 -12.289
   28    HG   SER   6           HG       SER   6  -0.040  27.690 -11.122
   29    H    GLY   7           H        GLY   7   0.056  24.063 -14.412
   30    HA2  GLY   7           1HA      GLY   7  -0.077  21.219 -13.854
   31    HA3  GLY   7           2HA      GLY   7   0.919  22.012 -15.069
   32    H    LYS   8           H        LYS   8   1.776  19.836 -13.557
   33    HA   LYS   8           HA       LYS   8   4.216  20.912 -12.289
   34    HB2  LYS   8           1HB      LYS   8   2.605  20.626 -10.427
   35    HB3  LYS   8           2HB      LYS   8   2.342  18.940 -10.889
   36    HG2  LYS   8           1HG      LYS   8   4.626  18.356 -10.299
   37    HG3  LYS   8           2HG      LYS   8   5.050  20.064 -10.055
   38    HD2  LYS   8           1HD      LYS   8   3.561  20.195  -8.112
   39    HD3  LYS   8           2HD      LYS   8   2.941  18.573  -8.437
   40    HE2  LYS   8           1HE      LYS   8   4.507  18.400  -6.629
   41    HE3  LYS   8           2HE      LYS   8   5.201  17.614  -8.049
   42    HZ1  LYS   8           3HZ      LYS   8   5.890  20.358  -7.127
   43    HZ2  LYS   8           1HZ      LYS   8   6.576  19.589  -8.400
   44    HZ3  LYS   8           2HZ      LYS   8   6.811  19.035  -6.886
   45    H    ILE   9           H        ILE   9   5.928  19.470 -12.192
   46    HA   ILE   9           HA       ILE   9   5.792  17.120 -14.038
   47    HB   ILE   9           HB       ILE   9   8.047  19.142 -13.735
   48   HG12  ILE   9          1HG1      ILE   9   6.136  18.668 -16.075
   49   HG13  ILE   9          2HG1      ILE   9   6.048  20.036 -14.971
   50   HG21  ILE   9          1HG2      ILE   9   8.919  16.903 -14.198
   51   HG22  ILE   9          2HG2      ILE   9   7.776  16.718 -15.556
   52   HG23  ILE   9          3HG2      ILE   9   9.094  17.910 -15.614
   53   HD11  ILE   9          3HD1      ILE   9   8.278  19.510 -16.948
   54   HD12  ILE   9          1HD1      ILE   9   7.086  20.817 -16.942
   55   HD13  ILE   9          2HD1      ILE   9   8.324  20.759 -15.674
   56    H    PHE  10           H        PHE  10   6.884  15.298 -13.438
   57    HA   PHE  10           HA       PHE  10   7.925  15.161 -10.632
   58    HB2  PHE  10           1HB      PHE  10   6.134  13.199 -12.118
   59    HB3  PHE  10           2HB      PHE  10   6.750  13.005 -10.488
   60    HD1  PHE  10           1HD      PHE  10   4.384  14.918 -12.614
   61    HD2  PHE  10           2HD      PHE  10   5.775  14.194  -8.598
   62    HE1  PHE  10           1HE      PHE  10   2.415  16.137 -11.715
   63    HE2  PHE  10           2HE      PHE  10   3.797  15.399  -7.699
   64    HZ   PHE  10           HZ       PHE  10   2.111  16.362  -9.252
   65    H    THR  11           H        THR  11   9.835  14.036 -10.348
   66    HA   THR  11           HA       THR  11  11.047  12.753 -12.765
   67    HB   THR  11           HB       THR  11  12.420  14.622 -10.811
   68    HG1  THR  11           1HG      THR  11  12.330  16.099 -12.489
   69   HG21  THR  11          3HG2      THR  11  13.988  13.072 -11.906
   70   HG22  THR  11          1HG2      THR  11  14.180  14.703 -12.561
   71   HG23  THR  11          2HG2      THR  11  13.298  13.476 -13.496
   72    H    CYS  12           H        CYS  12  12.146  10.921 -12.511
   73    HA   CYS  12           HA       CYS  12  12.134   9.474  -9.990
   74    HB2  CYS  12           1HB      CYS  12  11.743   8.393 -12.127
   75    HB3  CYS  12           2HB      CYS  12  13.342   8.903 -12.716
   76    H    GLU  13           H        GLU  13  13.667   9.384  -8.490
   77    HA   GLU  13           HA       GLU  13  16.147  10.931  -8.783
   78    HB2  GLU  13           1HB      GLU  13  16.466  10.582  -6.440
   79    HB3  GLU  13           2HB      GLU  13  14.802  11.079  -6.737
   80    HG2  GLU  13           1HG      GLU  13  14.074   8.690  -6.529
   81    HG3  GLU  13           2HG      GLU  13  15.746   8.229  -6.184
   82    H    TYR  14           H        TYR  14  15.327   7.761  -9.567
   83    HA   TYR  14           HA       TYR  14  18.019   6.645  -8.911
   84    HB2  TYR  14           1HB      TYR  14  15.443   5.300  -9.734
   85    HB3  TYR  14           2HB      TYR  14  16.942   4.476  -9.348
   86    HD1  TYR  14           2HD      TYR  14  17.847   4.526  -7.000
   87    HD2  TYR  14           1HD      TYR  14  13.932   6.037  -8.010
   88    HE1  TYR  14           2HE      TYR  14  17.163   4.368  -4.605
   89    HE2  TYR  14           1HE      TYR  14  13.255   5.878  -5.616
   90    HH   TYR  14           HH       TYR  14  13.888   5.304  -3.490
   91    H    CYS  15           H        CYS  15  15.933   7.333 -11.716
   92    HA   CYS  15           HA       CYS  15  18.242   6.722 -13.480
   93    HB2  CYS  15           1HB      CYS  15  16.912   5.570 -15.073
   94    HB3  CYS  15           2HB      CYS  15  16.812   4.771 -13.506
   95    H    ASN  16           H        ASN  16  16.519   9.207 -12.490
   96    HA   ASN  16           HA       ASN  16  16.071  11.269 -13.193
   97    HB2  ASN  16           1HB      ASN  16  18.559  10.980 -13.620
   98    HB3  ASN  16           2HB      ASN  16  18.163  10.831 -15.331
   99   HD21  ASN  16          1HD2      ASN  16  19.417  12.747 -15.775
  100   HD22  ASN  16          2HD2      ASN  16  18.805  14.332 -15.326
  101    H    LYS  17           H        LYS  17  14.508   9.086 -14.605
  102    HA   LYS  17           HA       LYS  17  13.553  10.276 -17.086
  103    HB2  LYS  17           1HB      LYS  17  12.457   8.181 -15.181
  104    HB3  LYS  17           2HB      LYS  17  11.554   8.729 -16.608
  105    HG2  LYS  17           1HG      LYS  17  13.359   7.998 -18.095
  106    HG3  LYS  17           2HG      LYS  17  14.343   7.544 -16.689
  107    HD2  LYS  17           1HD      LYS  17  12.436   5.983 -15.997
  108    HD3  LYS  17           2HD      LYS  17  11.650   6.355 -17.526
  109    HE2  LYS  17           1HE      LYS  17  12.822   4.220 -17.572
  110    HE3  LYS  17           2HE      LYS  17  13.472   5.340 -18.777
  111    HZ1  LYS  17           3HZ      LYS  17  15.377   5.715 -17.418
  112    HZ2  LYS  17           1HZ      LYS  17  15.183   4.093 -17.400
  113    HZ3  LYS  17           2HZ      LYS  17  14.736   5.013 -16.103
  114    H    VAL  18           H        VAL  18  11.638  11.301 -17.457
  115    HA   VAL  18           HA       VAL  18  10.516  12.904 -15.187
  116    HB   VAL  18           HB       VAL  18  10.962  13.830 -18.046
  117   HG11  VAL  18          1HG1      VAL  18  10.378  16.069 -17.095
  118   HG12  VAL  18          2HG1      VAL  18   9.021  14.949 -17.019
  119   HG13  VAL  18          3HG1      VAL  18   9.977  15.282 -15.555
  120   HG21  VAL  18          3HG2      VAL  18  12.410  14.587 -15.467
  121   HG22  VAL  18          1HG2      VAL  18  13.114  13.682 -16.827
  122   HG23  VAL  18          2HG2      VAL  18  12.636  15.365 -17.047
  123    H    PHE  19           H        PHE  19   8.400  13.065 -14.974
  124    HA   PHE  19           HA       PHE  19   6.548  11.767 -16.918
  125    HB2  PHE  19           1HB      PHE  19   6.568  11.455 -13.888
  126    HB3  PHE  19           2HB      PHE  19   5.417  10.732 -14.999
  127    HD1  PHE  19           2HD      PHE  19   6.070   8.816 -16.448
  128    HD2  PHE  19           1HD      PHE  19   8.841  10.559 -13.645
  129    HE1  PHE  19           2HE      PHE  19   7.596   6.879 -16.750
  130    HE2  PHE  19           1HE      PHE  19  10.359   8.619 -13.940
  131    HZ   PHE  19           HZ       PHE  19   9.765   6.789 -15.530
  132    H    LYS  20           H        LYS  20   4.478  12.615 -17.026
  133    HA   LYS  20           HA       LYS  20   4.212  15.432 -16.255
  134    HB2  LYS  20           1HB      LYS  20   2.464  13.559 -17.887
  135    HB3  LYS  20           2HB      LYS  20   2.083  15.257 -17.577
  136    HG2  LYS  20           1HG      LYS  20   4.225  15.955 -18.625
  137    HG3  LYS  20           2HG      LYS  20   4.622  14.262 -18.945
  138    HD2  LYS  20           1HD      LYS  20   3.790  15.241 -20.963
  139    HD3  LYS  20           2HD      LYS  20   2.605  14.061 -20.379
  140    HE2  LYS  20           1HE      LYS  20   1.225  15.898 -19.445
  141    HE3  LYS  20           2HE      LYS  20   2.437  17.082 -19.952
  142    HZ1  LYS  20           3HZ      LYS  20   0.880  15.346 -21.797
  143    HZ2  LYS  20           1HZ      LYS  20   1.995  16.444 -22.262
  144    HZ3  LYS  20           2HZ      LYS  20   0.614  16.937 -21.550
  145    H    PHE  21           H        PHE  21   3.274  12.558 -14.695
  146    HA   PHE  21           HA       PHE  21   1.365  14.019 -12.943
  147    HB2  PHE  21           1HB      PHE  21   0.789  11.296 -14.161
  148    HB3  PHE  21           2HB      PHE  21  -0.244  12.211 -13.075
  149    HD1  PHE  21           2HD      PHE  21  -1.221  14.450 -13.880
  150    HD2  PHE  21           1HD      PHE  21   0.660  11.611 -16.528
  151    HE1  PHE  21           2HE      PHE  21  -2.312  15.540 -15.829
  152    HE2  PHE  21           1HE      PHE  21  -0.431  12.705 -18.474
  153    HZ   PHE  21           HZ       PHE  21  -1.916  14.672 -18.127
  154    H    LYS  22           H        LYS  22   1.121  13.209 -10.872
  155    HA   LYS  22           HA       LYS  22   3.422  12.085  -9.655
  156    HB2  LYS  22           1HB      LYS  22   1.632  13.618  -8.661
  157    HB3  LYS  22           2HB      LYS  22   0.615  12.193  -8.459
  158    HG2  LYS  22           1HG      LYS  22   2.344  11.169  -6.995
  159    HG3  LYS  22           2HG      LYS  22   3.405  12.567  -7.268
  160    HD2  LYS  22           1HD      LYS  22   1.665  14.055  -6.256
  161    HD3  LYS  22           2HD      LYS  22   0.660  12.625  -5.929
  162    HE2  LYS  22           1HE      LYS  22   2.498  11.678  -4.534
  163    HE3  LYS  22           2HE      LYS  22   3.477  13.117  -4.857
  164    HZ1  LYS  22           3HZ      LYS  22   1.765  14.448  -3.735
  165    HZ2  LYS  22           1HZ      LYS  22   2.320  13.293  -2.727
  166    HZ3  LYS  22           2HZ      LYS  22   0.863  13.118  -3.437
  167    H    HIS  23           H        HIS  23   0.303  10.534 -10.435
  168    HA   HIS  23           HA       HIS  23   0.914   7.996  -9.280
  169    HB2  HIS  23           1HB      HIS  23  -0.970   7.148 -10.519
  170    HB3  HIS  23           2HB      HIS  23  -1.364   8.708  -9.813
  171    HD1  HIS  23           1HD      HIS  23  -0.746   7.090 -13.265
  172    HD2  HIS  23           2HD      HIS  23  -1.944  10.714 -11.499
  173    HE1  HIS  23           1HE      HIS  23  -1.645   8.540 -15.154
  174    H    SER  24           H        SER  24   1.584   9.273 -12.561
  175    HA   SER  24           HA       SER  24   2.578   6.851 -13.685
  176    HB2  SER  24           1HB      SER  24   3.391   9.709 -14.322
  177    HB3  SER  24           2HB      SER  24   3.718   8.278 -15.318
  178    HG   SER  24           HG       SER  24   1.850   9.252 -16.079
  179    H    LEU  25           H        LEU  25   4.345   9.428 -11.864
  180    HA   LEU  25           HA       LEU  25   6.863   8.017 -11.953
  181    HB2  LEU  25           1HB      LEU  25   6.804  10.406 -11.507
  182    HB3  LEU  25           2HB      LEU  25   5.811  10.161 -10.067
  183    HG   LEU  25           HG       LEU  25   7.669   8.945  -8.966
  184   HD11  LEU  25          1HD1      LEU  25   9.932   8.976  -9.912
  185   HD12  LEU  25          2HD1      LEU  25   9.324   9.705 -11.413
  186   HD13  LEU  25          3HD1      LEU  25   8.860   8.050 -10.956
  187   HD21  LEU  25          3HD2      LEU  25   9.132  10.837  -8.576
  188   HD22  LEU  25          1HD2      LEU  25   7.450  11.386  -8.679
  189   HD23  LEU  25          2HD2      LEU  25   8.558  11.625 -10.055
  190    H    GLN  26           H        GLN  26   4.232   8.070  -9.455
  191    HA   GLN  26           HA       GLN  26   5.545   6.344  -7.614
  192    HB2  GLN  26           1HB      GLN  26   2.621   6.907  -8.202
  193    HB3  GLN  26           2HB      GLN  26   3.096   5.787  -6.939
  194    HG2  GLN  26           1HG      GLN  26   4.005   8.704  -7.090
  195    HG3  GLN  26           2HG      GLN  26   2.651   8.130  -6.126
  196   HE21  GLN  26          1HE2      GLN  26   4.790   9.520  -4.926
  197   HE22  GLN  26          2HE2      GLN  26   5.656   8.382  -3.904
  198    H    ALA  27           H        ALA  27   3.481   5.459 -10.413
  199    HA   ALA  27           HA       ALA  27   3.676   2.632  -9.904
  200    HB1  ALA  27           1HB      ALA  27   2.957   4.162 -12.425
  201    HB2  ALA  27           2HB      ALA  27   2.650   2.435 -12.114
  202    HB3  ALA  27           3HB      ALA  27   1.835   3.675 -11.129
  203    H    HIS  28           H        HIS  28   5.735   4.899 -11.704
  204    HA   HIS  28           HA       HIS  28   7.419   2.886 -12.933
  205    HB2  HIS  28           1HB      HIS  28   7.373   5.078 -13.885
  206    HB3  HIS  28           2HB      HIS  28   7.748   5.847 -12.347
  207    HD1  HIS  28           1HD      HIS  28   9.516   3.488 -14.860
  208    HD2  HIS  28           2HD      HIS  28  10.254   6.217 -11.749
  209    HE1  HIS  28           1HE      HIS  28  12.036   3.716 -14.727
  210    H    LEU  29           H        LEU  29   7.649   4.759  -9.870
  211    HA   LEU  29           HA       LEU  29  10.194   3.892  -9.055
  212    HB2  LEU  29           1HB      LEU  29   7.737   4.785  -7.514
  213    HB3  LEU  29           2HB      LEU  29   9.243   4.403  -6.693
  214    HG   LEU  29           HG       LEU  29   9.064   6.515  -8.882
  215   HD11  LEU  29          1HD1      LEU  29   9.012   6.835  -5.851
  216   HD12  LEU  29          2HD1      LEU  29   7.656   7.147  -6.956
  217   HD13  LEU  29          3HD1      LEU  29   9.109   8.155  -7.038
  218   HD21  LEU  29          3HD2      LEU  29  11.186   5.909  -6.791
  219   HD22  LEU  29          1HD2      LEU  29  11.185   7.314  -7.880
  220   HD23  LEU  29          2HD2      LEU  29  11.346   5.694  -8.547
  221    H    ARG  30           H        ARG  30   7.281   1.993  -9.025
  222    HA   ARG  30           HA       ARG  30   7.816  -0.073  -7.187
  223    HB2  ARG  30           1HB      ARG  30   6.654  -0.079  -9.995
  224    HB3  ARG  30           2HB      ARG  30   6.681  -1.529  -8.995
  225    HG2  ARG  30           1HG      ARG  30   5.258  -0.592  -7.338
  226    HG3  ARG  30           2HG      ARG  30   5.392   1.035  -8.002
  227    HD2  ARG  30           1HD      ARG  30   3.208  -0.094  -8.461
  228    HD3  ARG  30           2HD      ARG  30   4.025   0.525  -9.878
  229    HE   ARG  30           HE       ARG  30   3.588  -2.316  -9.177
  230   HH11  ARG  30          2HH1      ARG  30   5.024  -0.093 -11.530
  231   HH12  ARG  30          1HH1      ARG  30   5.047  -1.329 -12.760
  232   HH21  ARG  30          2HH2      ARG  30   3.603  -3.759 -10.801
  233   HH22  ARG  30          1HH2      ARG  30   4.329  -3.365 -12.345
  234    H    ILE  31           H        ILE  31   9.582   0.499 -10.246
  235    HA   ILE  31           HA       ILE  31  10.829  -2.136 -10.163
  236    HB   ILE  31           HB       ILE  31  12.021  -1.558 -12.033
  237   HG12  ILE  31          1HG1      ILE  31  11.388   1.377 -11.615
  238   HG13  ILE  31          2HG1      ILE  31  12.954   0.589 -11.490
  239   HG21  ILE  31          1HG2      ILE  31  10.275  -1.097 -13.611
  240   HG22  ILE  31          2HG2      ILE  31   9.540  -1.939 -12.247
  241   HG23  ILE  31          3HG2      ILE  31   9.340  -0.179 -12.415
  242   HD11  ILE  31          3HD1      ILE  31  11.340   0.967 -14.023
  243   HD12  ILE  31          1HD1      ILE  31  12.902   1.691 -13.593
  244   HD13  ILE  31          2HD1      ILE  31  12.796  -0.055 -13.905
  245    H    HIS  32           H        HIS  32  11.595   0.935  -8.759
  246    HA   HIS  32           HA       HIS  32  14.455   0.280  -8.360
  247    HB2  HIS  32           1HB      HIS  32  12.852   2.785  -7.745
  248    HB3  HIS  32           2HB      HIS  32  14.591   2.606  -7.548
  249    HD1  HIS  32           1HD      HIS  32  15.800   1.769 -10.119
  250    HD2  HIS  32           2HD      HIS  32  12.297   4.069  -9.900
  251    HE1  HIS  32           1HE      HIS  32  15.663   3.028 -12.323
  252    H    THR  33           H        THR  33  11.501   0.304  -6.446
  253    HA   THR  33           HA       THR  33  12.832   0.386  -3.860
  254    HB   THR  33           HB       THR  33  10.538  -0.108  -2.984
  255    HG1  THR  33           1HG      THR  33   8.873   0.137  -4.591
  256   HG21  THR  33          3HG2      THR  33   9.578   2.045  -3.613
  257   HG22  THR  33          1HG2      THR  33  10.682   2.176  -4.999
  258   HG23  THR  33          2HG2      THR  33  11.320   2.215  -3.341
  259    H    ASN  34           H        ASN  34  14.236  -1.426  -4.945
  260    HA   ASN  34           HA       ASN  34  15.095  -3.474  -4.976
  261    HB2  ASN  34           1HB      ASN  34  14.577  -3.317  -2.491
  262    HB3  ASN  34           2HB      ASN  34  13.170  -4.333  -2.800
  263   HD21  ASN  34          1HD2      ASN  34  14.379  -5.680  -1.142
  264   HD22  ASN  34          2HD2      ASN  34  15.585  -6.791  -1.773
  265    H    GLU  35           H        GLU  35  14.792  -5.754  -5.578
  266    HA   GLU  35           HA       GLU  35  12.988  -5.882  -7.844
  267    HB2  GLU  35           1HB      GLU  35  14.898  -7.940  -6.670
  268    HB3  GLU  35           2HB      GLU  35  14.010  -8.127  -8.189
  269    HG2  GLU  35           1HG      GLU  35  15.111  -6.071  -9.077
  270    HG3  GLU  35           2HG      GLU  35  16.060  -5.949  -7.593
  271    H    LYS  36           H        LYS  36  11.329  -7.282  -8.291
  272    HA   LYS  36           HA       LYS  36   9.967  -8.676  -6.009
  273    HB2  LYS  36           1HB      LYS  36   8.685  -6.710  -7.932
  274    HB3  LYS  36           2HB      LYS  36   7.871  -7.652  -6.667
  275    HG2  LYS  36           1HG      LYS  36   9.159  -6.492  -4.924
  276    HG3  LYS  36           2HG      LYS  36  10.034  -5.584  -6.168
  277    HD2  LYS  36           1HD      LYS  36   7.829  -4.629  -6.958
  278    HD3  LYS  36           2HD      LYS  36   7.063  -5.411  -5.567
  279    HE2  LYS  36           1HE      LYS  36   7.500  -3.112  -4.993
  280    HE3  LYS  36           2HE      LYS  36   8.584  -4.135  -4.042
  281    HZ1  LYS  36           3HZ      LYS  36   9.713  -2.195  -5.041
  282    HZ2  LYS  36           1HZ      LYS  36   9.370  -2.715  -6.545
  283    HZ3  LYS  36           2HZ      LYS  36  10.381  -3.582  -5.585
  284    HA   PRO  37           HA       PRO  37  10.425 -11.293  -9.812
  285    HB2  PRO  37           1HB      PRO  37  10.715 -13.730  -8.494
  286    HB3  PRO  37           2HB      PRO  37  12.024 -12.587  -8.870
  287    HG2  PRO  37           1HG      PRO  37  10.503 -12.876  -6.273
  288    HG3  PRO  37           2HG      PRO  37  12.276 -12.743  -6.508
  289    HD2  PRO  37           1HD      PRO  37  10.796 -10.594  -5.819
  290    HD3  PRO  37           2HD      PRO  37  12.116 -10.423  -6.999
  291    H    TYR  38           H        TYR  38   8.330 -11.934  -7.010
  292    HA   TYR  38           HA       TYR  38   6.617 -13.744  -8.565
  293    HB2  TYR  38           1HB      TYR  38   6.532 -12.866  -5.668
  294    HB3  TYR  38           2HB      TYR  38   5.415 -14.008  -6.393
  295    HD1  TYR  38           1HD      TYR  38   6.380 -16.116  -7.559
  296    HD2  TYR  38           2HD      TYR  38   8.625 -13.629  -4.858
  297    HE1  TYR  38           1HE      TYR  38   8.033 -17.956  -7.233
  298    HE2  TYR  38           2HE      TYR  38  10.259 -15.474  -4.496
  299    HH   TYR  38           HH       TYR  38  10.856 -17.622  -5.051
  300    H    LYS  39           H        LYS  39   5.810 -12.423 -10.137
  301    HA   LYS  39           HA       LYS  39   4.240 -10.006  -9.490
  302    HB2  LYS  39           1HB      LYS  39   5.096 -11.291 -12.103
  303    HB3  LYS  39           2HB      LYS  39   4.118  -9.820 -11.998
  304    HG2  LYS  39           1HG      LYS  39   5.863  -8.608 -10.873
  305    HG3  LYS  39           2HG      LYS  39   6.830 -10.069 -10.641
  306    HD2  LYS  39           1HD      LYS  39   7.106 -10.275 -13.095
  307    HD3  LYS  39           2HD      LYS  39   6.182  -8.770 -13.319
  308    HE2  LYS  39           1HE      LYS  39   7.850  -7.543 -11.951
  309    HE3  LYS  39           2HE      LYS  39   8.751  -9.039 -11.683
  310    HZ1  LYS  39           3HZ      LYS  39   9.718  -7.736 -13.493
  311    HZ2  LYS  39           1HZ      LYS  39   8.322  -7.765 -14.338
  312    HZ3  LYS  39           2HZ      LYS  39   9.158  -9.148 -14.088
  313    H    CYS  40           H        CYS  40   2.126  -9.675  -9.830
  314    HA   CYS  40           HA       CYS  40   0.294 -11.929  -9.894
  315    HB2  CYS  40           1HB      CYS  40  -0.062  -9.932  -8.546
  316    HB3  CYS  40           2HB      CYS  40  -0.152  -8.933 -10.013
  317    HA   PRO  41           HA       PRO  41  -0.164 -11.670 -14.429
  318    HB2  PRO  41           1HB      PRO  41  -1.933 -13.688 -14.822
  319    HB3  PRO  41           2HB      PRO  41  -0.235 -13.992 -14.350
  320    HG2  PRO  41           1HG      PRO  41  -2.684 -13.947 -12.573
  321    HG3  PRO  41           2HG      PRO  41  -1.361 -15.150 -12.607
  322    HD2  PRO  41           1HD      PRO  41  -1.486 -13.011 -10.837
  323    HD3  PRO  41           2HD      PRO  41   0.049 -13.768 -11.364
  324    H    GLN  42           H        GLN  42  -2.427 -10.852 -11.980
  325    HA   GLN  42           HA       GLN  42  -4.514 -10.074 -13.969
  326    HB2  GLN  42           1HB      GLN  42  -4.842 -10.806 -11.038
  327    HB3  GLN  42           2HB      GLN  42  -6.114 -10.290 -12.135
  328    HG2  GLN  42           1HG      GLN  42  -5.157 -12.319 -13.622
  329    HG3  GLN  42           2HG      GLN  42  -4.601 -12.884 -12.056
  330   HE21  GLN  42          1HE2      GLN  42  -6.291 -13.246 -10.346
  331   HE22  GLN  42          2HE2      GLN  42  -7.902 -13.678 -10.894
  332    H    CYS  43           H        CYS  43  -2.435  -8.642 -11.488
  333    HA   CYS  43           HA       CYS  43  -3.373  -6.034 -12.496
  334    HB2  CYS  43           1HB      CYS  43  -3.690  -5.088 -10.298
  335    HB3  CYS  43           2HB      CYS  43  -4.757  -6.465 -10.515
  336    H    SER  44           H        SER  44  -1.904  -4.340 -10.970
  337    HA   SER  44           HA       SER  44   0.772  -4.680 -12.058
  338    HB2  SER  44           1HB      SER  44   1.139  -2.416 -11.120
  339    HB3  SER  44           2HB      SER  44  -0.303  -2.522 -12.142
  340    HG   SER  44           HG       SER  44  -0.715  -1.390 -10.181
  341    H    TYR  45           H        TYR  45  -0.510  -5.959  -9.277
  342    HA   TYR  45           HA       TYR  45   1.376  -5.421  -7.253
  343    HB2  TYR  45           1HB      TYR  45  -0.817  -6.402  -6.887
  344    HB3  TYR  45           2HB      TYR  45  -0.386  -7.829  -7.819
  345    HD1  TYR  45           1HD      TYR  45   1.227  -9.523  -6.813
  346    HD2  TYR  45           2HD      TYR  45  -0.052  -6.027  -4.624
  347    HE1  TYR  45           1HE      TYR  45   2.091 -10.523  -4.702
  348    HE2  TYR  45           2HE      TYR  45   0.805  -7.036  -2.520
  349    HH   TYR  45           HH       TYR  45   1.871  -8.786  -1.576
  350    H    ALA  46           H        ALA  46   3.200  -6.340  -6.572
  351    HA   ALA  46           HA       ALA  46   4.157  -8.883  -7.592
  352    HB1  ALA  46           1HB      ALA  46   6.320  -8.110  -8.363
  353    HB2  ALA  46           2HB      ALA  46   5.070  -7.209  -9.239
  354    HB3  ALA  46           3HB      ALA  46   5.938  -6.428  -7.905
  355    H    SER  47           H        SER  47   5.664  -9.906  -6.208
  356    HA   SER  47           HA       SER  47   6.516  -8.490  -3.730
  357    HB2  SER  47           1HB      SER  47   5.631 -10.144  -2.297
  358    HB3  SER  47           2HB      SER  47   4.317  -9.735  -3.407
  359    HG   SER  47           HG       SER  47   4.616 -12.028  -3.128
  360    H    ALA  48           H        ALA  48   7.921  -9.991  -2.362
  361    HA   ALA  48           HA       ALA  48   9.930 -11.377  -4.066
  362    HB1  ALA  48           1HB      ALA  48  10.692  -9.412  -2.787
  363    HB2  ALA  48           2HB      ALA  48  10.181 -10.198  -1.274
  364    HB3  ALA  48           3HB      ALA  48  11.490 -10.900  -2.250
  365    H    ILE  49           H        ILE  49   7.271 -12.379  -2.451
  366    HA   ILE  49           HA       ILE  49   8.498 -14.970  -1.646
  367    HB   ILE  49           HB       ILE  49   6.508 -13.449   0.076
  368   HG12  ILE  49          1HG1      ILE  49   9.486 -13.940   0.492
  369   HG13  ILE  49          2HG1      ILE  49   8.694 -12.382   0.254
  370   HG21  ILE  49          1HG2      ILE  49   6.798 -15.299   1.673
  371   HG22  ILE  49          2HG2      ILE  49   6.262 -15.947   0.145
  372   HG23  ILE  49          3HG2      ILE  49   7.975 -16.081   0.595
  373   HD11  ILE  49          3HD1      ILE  49   8.465 -14.158   2.696
  374   HD12  ILE  49          1HD1      ILE  49   9.198 -12.553   2.564
  375   HD13  ILE  49          2HD1      ILE  49   7.437 -12.730   2.400
  376    H    LYS  50           H        LYS  50   7.515 -16.588  -2.598
  377    HA   LYS  50           HA       LYS  50   5.300 -16.338  -4.342
  378    HB2  LYS  50           1HB      LYS  50   7.174 -18.061  -4.354
  379    HB3  LYS  50           2HB      LYS  50   6.318 -18.920  -3.074
  380    HG2  LYS  50           1HG      LYS  50   4.352 -19.195  -4.575
  381    HG3  LYS  50           2HG      LYS  50   5.188 -18.272  -5.839
  382    HD2  LYS  50           1HD      LYS  50   6.979 -19.998  -5.905
  383    HD3  LYS  50           2HD      LYS  50   6.132 -20.919  -4.644
  384    HE2  LYS  50           1HE      LYS  50   4.148 -21.122  -6.132
  385    HE3  LYS  50           2HE      LYS  50   4.996 -20.211  -7.389
  386    HZ1  LYS  50           3HZ      LYS  50   5.176 -22.604  -7.759
  387    HZ2  LYS  50           1HZ      LYS  50   5.875 -22.838  -6.305
  388    HZ3  LYS  50           2HZ      LYS  50   6.659 -21.996  -7.466
  389    H    ALA  51           H        ALA  51   5.355 -17.596  -1.004
  390    HA   ALA  51           HA       ALA  51   2.601 -18.326  -0.849
  391    HB1  ALA  51           1HB      ALA  51   2.982 -18.267   1.583
  392    HB2  ALA  51           2HB      ALA  51   4.333 -19.058   0.751
  393    HB3  ALA  51           3HB      ALA  51   4.507 -17.389   1.345
  394    H    ASN  52           H        ASN  52   4.184 -15.137  -0.443
  395    HA   ASN  52           HA       ASN  52   1.759 -13.868   0.545
  396    HB2  ASN  52           1HB      ASN  52   4.280 -13.198   0.870
  397    HB3  ASN  52           2HB      ASN  52   4.073 -12.341  -0.662
  398   HD21  ASN  52          1HD2      ASN  52   1.999 -10.824  -0.667
  399   HD22  ASN  52          2HD2      ASN  52   1.699 -10.014   0.865
  400    H    LEU  53           H        LEU  53   3.259 -14.296  -2.702
  401    HA   LEU  53           HA       LEU  53   1.266 -12.786  -4.109
  402    HB2  LEU  53           1HB      LEU  53   3.383 -13.420  -5.154
  403    HB3  LEU  53           2HB      LEU  53   2.993 -15.131  -4.982
  404    HG   LEU  53           HG       LEU  53   1.038 -14.833  -6.518
  405   HD11  LEU  53          1HD1      LEU  53   0.594 -12.430  -6.205
  406   HD12  LEU  53          2HD1      LEU  53   0.918 -12.790  -7.901
  407   HD13  LEU  53          3HD1      LEU  53   2.182 -12.034  -6.902
  408   HD21  LEU  53          3HD2      LEU  53   2.292 -14.725  -8.554
  409   HD22  LEU  53          1HD2      LEU  53   3.270 -15.569  -7.336
  410   HD23  LEU  53          2HD2      LEU  53   3.623 -13.875  -7.757
  411    H    ASN  54           H        ASN  54   1.339 -16.241  -3.046
  412    HA   ASN  54           HA       ASN  54  -1.168 -16.956  -4.209
  413    HB2  ASN  54           1HB      ASN  54   0.462 -18.583  -3.353
  414    HB3  ASN  54           2HB      ASN  54   0.202 -18.020  -1.705
  415   HD21  ASN  54          1HD2      ASN  54  -1.403 -19.044  -0.518
  416   HD22  ASN  54          2HD2      ASN  54  -2.598 -20.103  -1.248
  417    H    VAL  55           H        VAL  55  -0.498 -15.542  -0.964
  418    HA   VAL  55           HA       VAL  55  -3.255 -15.323  -0.152
  419    HB   VAL  55           HB       VAL  55  -0.773 -13.801   0.661
  420   HG11  VAL  55          1HG1      VAL  55  -3.542 -13.706   1.936
  421   HG12  VAL  55          2HG1      VAL  55  -2.051 -13.096   2.687
  422   HG13  VAL  55          3HG1      VAL  55  -2.659 -12.338   1.216
  423   HG21  VAL  55          3HG2      VAL  55  -0.905 -15.201   2.667
  424   HG22  VAL  55          1HG2      VAL  55  -2.395 -15.964   2.064
  425   HG23  VAL  55          2HG2      VAL  55  -0.853 -16.224   1.230
  426    H    HIS  56           H        HIS  56  -1.202 -13.114  -2.075
  427    HA   HIS  56           HA       HIS  56  -3.217 -11.073  -2.353
  428    HB2  HIS  56           1HB      HIS  56  -0.915 -10.554  -2.817
  429    HB3  HIS  56           2HB      HIS  56  -0.817 -11.796  -4.067
  430    HD1  HIS  56           1HD      HIS  56  -2.700  -8.470  -3.466
  431    HD2  HIS  56           2HD      HIS  56  -1.644 -11.198  -6.485
  432    HE1  HIS  56           1HE      HIS  56  -3.602  -7.494  -5.616
  433    H    LEU  57           H        LEU  57  -2.471 -13.902  -4.473
  434    HA   LEU  57           HA       LEU  57  -4.448 -13.367  -6.458
  435    HB2  LEU  57           1HB      LEU  57  -3.157 -15.895  -5.437
  436    HB3  LEU  57           2HB      LEU  57  -4.279 -15.925  -6.787
  437    HG   LEU  57           HG       LEU  57  -1.763 -14.198  -6.818
  438   HD11  LEU  57          1HD1      LEU  57  -0.738 -16.011  -8.140
  439   HD12  LEU  57          2HD1      LEU  57  -2.175 -17.028  -7.869
  440   HD13  LEU  57          3HD1      LEU  57  -1.140 -16.555  -6.504
  441   HD21  LEU  57          3HD2      LEU  57  -3.439 -13.549  -8.482
  442   HD22  LEU  57          1HD2      LEU  57  -3.611 -15.243  -9.008
  443   HD23  LEU  57          2HD2      LEU  57  -2.089 -14.372  -9.268
  444    H    ARG  58           H        ARG  58  -4.740 -15.017  -3.337
  445    HA   ARG  58           HA       ARG  58  -7.486 -15.846  -3.570
  446    HB2  ARG  58           1HB      ARG  58  -5.740 -15.157  -1.177
  447    HB3  ARG  58           2HB      ARG  58  -7.387 -15.766  -1.013
  448    HG2  ARG  58           1HG      ARG  58  -6.858 -17.859  -2.030
  449    HG3  ARG  58           2HG      ARG  58  -5.304 -17.286  -2.625
  450    HD2  ARG  58           1HD      ARG  58  -4.909 -18.710  -0.709
  451    HD3  ARG  58           2HD      ARG  58  -4.457 -17.061  -0.315
  452    HE   ARG  58           HE       ARG  58  -6.155 -16.942   1.273
  453   HH11  ARG  58          2HH1      ARG  58  -6.696 -19.885  -0.563
  454   HH12  ARG  58          1HH1      ARG  58  -7.895 -20.463   0.560
  455   HH21  ARG  58          2HH2      ARG  58  -7.694 -17.742   2.649
  456   HH22  ARG  58          1HH2      ARG  58  -8.441 -19.278   2.322
  457    H    LYS  59           H        LYS  59  -6.294 -12.615  -3.373
  458    HA   LYS  59           HA       LYS  59  -8.869 -11.494  -2.427
  459    HB2  LYS  59           1HB      LYS  59  -6.472 -10.009  -3.566
  460    HB3  LYS  59           2HB      LYS  59  -7.850  -9.334  -2.695
  461    HG2  LYS  59           1HG      LYS  59  -7.156 -10.729  -0.684
  462    HG3  LYS  59           2HG      LYS  59  -5.673 -11.131  -1.576
  463    HD2  LYS  59           1HD      LYS  59  -5.090  -8.736  -1.725
  464    HD3  LYS  59           2HD      LYS  59  -6.576  -8.320  -0.836
  465    HE2  LYS  59           1HE      LYS  59  -5.793  -9.727   1.079
  466    HE3  LYS  59           2HE      LYS  59  -4.295 -10.069   0.206
  467    HZ1  LYS  59           3HZ      LYS  59  -4.015  -8.234   1.777
  468    HZ2  LYS  59           1HZ      LYS  59  -5.198  -7.366   1.065
  469    HZ3  LYS  59           2HZ      LYS  59  -3.808  -7.670   0.259
  470    H    HIS  60           H        HIS  60  -7.535 -12.462  -5.474
  471    HA   HIS  60           HA       HIS  60  -9.311 -10.725  -7.070
  472    HB2  HIS  60           1HB      HIS  60  -7.314 -12.884  -7.821
  473    HB3  HIS  60           2HB      HIS  60  -8.403 -12.114  -8.969
  474    HD1  HIS  60           1HD      HIS  60  -8.156  -9.344  -9.156
  475    HD2  HIS  60           2HD      HIS  60  -5.018 -11.604  -7.501
  476    HE1  HIS  60           1HE      HIS  60  -6.099  -7.873  -9.314
  477    H    THR  61           H        THR  61 -11.167 -11.513  -5.768
  478    HA   THR  61           HA       THR  61 -12.507 -13.782  -7.169
  479    HB   THR  61           HB       THR  61 -13.694 -14.332  -5.066
  480    HG1  THR  61           1HG      THR  61 -12.796 -13.597  -3.124
  481   HG21  THR  61          3HG2      THR  61 -11.702 -15.647  -5.780
  482   HG22  THR  61          1HG2      THR  61 -11.902 -15.605  -4.020
  483   HG23  THR  61          2HG2      THR  61 -10.667 -14.591  -4.794
  484    H    GLY  62           H        GLY  62 -14.764 -13.613  -7.412
  485    HA2  GLY  62           1HA      GLY  62 -16.684 -11.886  -6.709
  486    HA3  GLY  62           2HA      GLY  62 -15.682 -10.820  -7.697
  487    H    GLU  63           H        GLU  63 -17.267 -10.536  -9.277
  488    HA   GLU  63           HA       GLU  63 -18.353 -12.752 -10.809
  489    HB2  GLU  63           1HB      GLU  63 -19.617 -10.655 -10.366
  490    HB3  GLU  63           2HB      GLU  63 -18.405  -9.740 -11.262
  491    HG2  GLU  63           1HG      GLU  63 -20.412 -10.109 -12.597
  492    HG3  GLU  63           2HG      GLU  63 -19.025 -10.879 -13.342
  493    H    LYS  64           H        LYS  64 -17.925 -13.127 -12.941
  494    HA   LYS  64           HA       LYS  64 -15.078 -13.019 -13.684
  495    HB2  LYS  64           1HB      LYS  64 -17.472 -14.346 -15.005
  496    HB3  LYS  64           2HB      LYS  64 -15.827 -14.393 -15.658
  497    HG2  LYS  64           1HG      LYS  64 -15.004 -15.426 -13.561
  498    HG3  LYS  64           2HG      LYS  64 -16.660 -15.443 -12.922
  499    HD2  LYS  64           1HD      LYS  64 -17.361 -16.926 -14.802
  500    HD3  LYS  64           2HD      LYS  64 -15.725 -16.843 -15.467
  501    HE2  LYS  64           1HE      LYS  64 -15.838 -18.909 -14.322
  502    HE3  LYS  64           2HE      LYS  64 -14.841 -17.835 -13.336
  503    HZ1  LYS  64           3HZ      LYS  64 -16.791 -17.472 -11.902
  504    HZ2  LYS  64           1HZ      LYS  64 -16.468 -19.066 -11.998
  505    HZ3  LYS  64           2HZ      LYS  64 -17.715 -18.444 -12.840
  506    H    PHE  65           H        PHE  65 -14.151 -12.188 -15.423
  507    HA   PHE  65           HA       PHE  65 -15.600 -10.167 -17.094
  508    HB2  PHE  65           1HB      PHE  65 -12.643 -10.375 -16.417
  509    HB3  PHE  65           2HB      PHE  65 -13.372  -9.177 -17.472
  510    HD1  PHE  65           1HD      PHE  65 -13.019 -10.304 -13.964
  511    HD2  PHE  65           2HD      PHE  65 -14.638  -7.280 -16.571
  512    HE1  PHE  65           1HE      PHE  65 -13.408  -8.828 -12.003
  513    HE2  PHE  65           2HE      PHE  65 -15.048  -5.814 -14.607
  514    HZ   PHE  65           HZ       PHE  65 -14.416  -6.576 -12.325
  515    H    ALA  66           H        ALA  66 -15.661 -10.564 -19.295
  516    HA   ALA  66           HA       ALA  66 -14.443 -13.134 -20.227
  517    HB1  ALA  66           1HB      ALA  66 -16.841 -13.315 -19.625
  518    HB2  ALA  66           2HB      ALA  66 -17.220 -12.036 -20.798
  519    HB3  ALA  66           3HB      ALA  66 -16.552 -13.584 -21.358
  520    H    CYS  67           H        CYS  67 -13.799 -13.382 -22.284
  521    HA   CYS  67           HA       CYS  67 -12.945 -11.085 -23.800
  522    HB2  CYS  67           1HB      CYS  67 -11.724 -13.188 -23.509
  523    HB3  CYS  67           2HB      CYS  67 -12.972 -14.045 -24.425
  524    H    ASP  68           H        ASP  68 -13.559 -10.358 -25.747
  525    HA   ASP  68           HA       ASP  68 -16.358 -10.835 -26.639
  526    HB2  ASP  68           1HB      ASP  68 -14.293  -8.713 -27.325
  527    HB3  ASP  68           2HB      ASP  68 -15.854  -8.846 -28.126
  528    H    TYR  69           H        TYR  69 -13.290 -12.040 -27.345
  529    HA   TYR  69           HA       TYR  69 -13.918 -12.536 -30.237
  530    HB2  TYR  69           1HB      TYR  69 -11.245 -12.150 -28.883
  531    HB3  TYR  69           2HB      TYR  69 -11.512 -12.369 -30.608
  532    HD1  TYR  69           1HD      TYR  69 -12.769 -10.554 -31.897
  533    HD2  TYR  69           2HD      TYR  69 -11.360 -10.014 -27.853
  534    HE1  TYR  69           1HE      TYR  69 -12.952  -8.078 -32.158
  535    HE2  TYR  69           2HE      TYR  69 -11.545  -7.546 -28.116
  536    HH   TYR  69           HH       TYR  69 -12.107  -5.814 -29.509
  537    H    CYS  70           H        CYS  70 -13.197 -14.140 -27.242
  538    HA   CYS  70           HA       CYS  70 -13.477 -16.717 -28.567
  539    HB2  CYS  70           1HB      CYS  70 -11.506 -17.761 -27.757
  540    HB3  CYS  70           2HB      CYS  70 -11.032 -16.331 -28.654
  541    H    SER  71           H        SER  71 -13.025 -18.433 -26.532
  542    HA   SER  71           HA       SER  71 -15.285 -17.959 -24.750
  543    HB2  SER  71           1HB      SER  71 -13.416 -20.345 -24.934
  544    HB3  SER  71           2HB      SER  71 -14.978 -20.286 -24.095
  545    HG   SER  71           HG       SER  71 -15.153 -21.215 -26.189
  546    H    PHE  72           H        PHE  72 -12.180 -16.890 -24.362
  547    HA   PHE  72           HA       PHE  72 -11.385 -17.823 -21.809
  548    HB2  PHE  72           1HB      PHE  72  -9.863 -16.751 -23.332
  549    HB3  PHE  72           2HB      PHE  72 -10.804 -15.269 -23.320
  550    HD1  PHE  72           1HD      PHE  72  -8.413 -17.337 -21.390
  551    HD2  PHE  72           2HD      PHE  72 -10.623 -13.634 -21.526
  552    HE1  PHE  72           1HE      PHE  72  -6.959 -16.394 -19.606
  553    HE2  PHE  72           2HE      PHE  72  -9.159 -12.696 -19.756
  554    HZ   PHE  72           HZ       PHE  72  -7.324 -14.070 -18.801
  555    H    THR  73           H        THR  73 -11.690 -17.226 -19.755
  556    HA   THR  73           HA       THR  73 -13.052 -14.709 -19.078
  557    HB   THR  73           HB       THR  73 -14.393 -15.732 -17.303
  558    HG1  THR  73           1HG      THR  73 -13.791 -18.200 -18.562
  559   HG21  THR  73          3HG2      THR  73 -15.100 -16.939 -20.007
  560   HG22  THR  73          1HG2      THR  73 -15.456 -15.281 -19.491
  561   HG23  THR  73          2HG2      THR  73 -16.194 -16.644 -18.638
  562    H    CYS  74           H        CYS  74 -12.554 -13.865 -17.062
  563    HA   CYS  74           HA       CYS  74 -10.482 -15.145 -15.377
  564    HB2  CYS  74           1HB      CYS  74  -9.010 -13.157 -15.608
  565    HB3  CYS  74           2HB      CYS  74  -9.213 -14.022 -17.136
  566    HG   CYS  74           HG       CYS  74 -11.224 -12.465 -17.981
  567    H    LEU  75           H        LEU  75  -9.845 -13.396 -13.583
  568    HA   LEU  75           HA       LEU  75 -12.393 -12.294 -12.470
  569    HB2  LEU  75           1HB      LEU  75 -10.083 -13.651 -11.051
  570    HB3  LEU  75           2HB      LEU  75 -11.427 -12.862 -10.230
  571    HG   LEU  75           HG       LEU  75 -11.760 -15.222 -12.133
  572   HD11  LEU  75          1HD1      LEU  75 -12.128 -16.576 -10.143
  573   HD12  LEU  75          2HD1      LEU  75 -11.835 -15.172  -9.095
  574   HD13  LEU  75          3HD1      LEU  75 -10.518 -15.840 -10.080
  575   HD21  LEU  75          3HD2      LEU  75 -14.013 -15.388 -11.089
  576   HD22  LEU  75          1HD2      LEU  75 -13.810 -13.869 -11.964
  577   HD23  LEU  75          2HD2      LEU  75 -13.703 -13.884 -10.194
  578    H    SER  76           H        SER  76 -10.326 -10.923 -14.149
  579    HA   SER  76           HA       SER  76 -10.483  -8.434 -12.621
  580    HB2  SER  76           1HB      SER  76  -8.304  -9.188 -11.855
  581    HB3  SER  76           2HB      SER  76  -7.809  -9.561 -13.518
  582    HG   SER  76           HG       SER  76  -6.993  -7.542 -12.851
  583    H    LYS  77           H        LYS  77 -10.880  -6.740 -13.961
  584    HA   LYS  77           HA       LYS  77 -11.027  -6.995 -16.830
  585    HB2  LYS  77           1HB      LYS  77 -11.428  -4.595 -16.848
  586    HB3  LYS  77           2HB      LYS  77 -12.409  -5.409 -15.635
  587    HG2  LYS  77           1HG      LYS  77 -10.856  -4.630 -13.843
  588    HG3  LYS  77           2HG      LYS  77  -9.840  -3.856 -15.066
  589    HD2  LYS  77           1HD      LYS  77 -11.202  -2.180 -14.012
  590    HD3  LYS  77           2HD      LYS  77 -11.722  -2.363 -15.694
  591    HE2  LYS  77           1HE      LYS  77 -13.636  -3.764 -14.955
  592    HE3  LYS  77           2HE      LYS  77 -13.088  -3.644 -13.277
  593    HZ1  LYS  77           3HZ      LYS  77 -13.961  -1.346 -14.952
  594    HZ2  LYS  77           1HZ      LYS  77 -13.458  -1.236 -13.401
  595    HZ3  LYS  77           2HZ      LYS  77 -14.838  -2.028 -13.758
  596    H    GLY  78           H        GLY  78  -8.360  -6.224 -14.714
  597    HA2  GLY  78           1HA      GLY  78  -6.547  -5.113 -16.691
  598    HA3  GLY  78           2HA      GLY  78  -6.123  -5.860 -15.140
  599    H    HIS  79           H        HIS  79  -7.132  -8.443 -15.424
  600    HA   HIS  79           HA       HIS  79  -5.203  -9.730 -17.116
  601    HB2  HIS  79           1HB      HIS  79  -6.313 -10.635 -15.007
  602    HB3  HIS  79           2HB      HIS  79  -7.739 -10.950 -15.969
  603    HD1  HIS  79           1HD      HIS  79  -6.958 -13.491 -14.916
  604    HD2  HIS  79           2HD      HIS  79  -4.686 -11.807 -18.028
  605    HE1  HIS  79           1HE      HIS  79  -5.648 -15.417 -15.978
  606    H    LEU  80           H        LEU  80  -8.699  -9.033 -17.552
  607    HA   LEU  80           HA       LEU  80  -8.978 -10.281 -20.087
  608    HB2  LEU  80           1HB      LEU  80 -10.880  -9.536 -18.684
  609    HB3  LEU  80           2HB      LEU  80 -10.429  -7.854 -18.952
  610    HG   LEU  80           HG       LEU  80 -10.884  -8.087 -21.369
  611   HD11  LEU  80          1HD1      LEU  80 -10.414 -10.462 -21.756
  612   HD12  LEU  80          2HD1      LEU  80 -12.077 -10.099 -22.185
  613   HD13  LEU  80          3HD1      LEU  80 -11.735 -10.932 -20.656
  614   HD21  LEU  80          3HD2      LEU  80 -13.213  -9.118 -19.723
  615   HD22  LEU  80          1HD2      LEU  80 -13.284  -8.214 -21.243
  616   HD23  LEU  80          2HD2      LEU  80 -12.688  -7.416 -19.778
  617    H    LYS  81           H        LYS  81  -8.054  -6.878 -19.316
  618    HA   LYS  81           HA       LYS  81  -7.691  -6.027 -22.019
  619    HB2  LYS  81           1HB      LYS  81  -7.821  -4.520 -20.053
  620    HB3  LYS  81           2HB      LYS  81  -6.234  -5.087 -19.510
  621    HG2  LYS  81           1HG      LYS  81  -5.185  -4.188 -21.560
  622    HG3  LYS  81           2HG      LYS  81  -6.774  -3.765 -22.210
  623    HD2  LYS  81           1HD      LYS  81  -5.702  -1.773 -21.382
  624    HD3  LYS  81           2HD      LYS  81  -7.102  -2.138 -20.365
  625    HE2  LYS  81           1HE      LYS  81  -5.603  -3.139 -18.654
  626    HE3  LYS  81           2HE      LYS  81  -4.204  -2.839 -19.693
  627    HZ1  LYS  81           3HZ      LYS  81  -5.958  -0.725 -18.551
  628    HZ2  LYS  81           1HZ      LYS  81  -4.662  -0.451 -19.507
  629    HZ3  LYS  81           2HZ      LYS  81  -4.459  -1.093 -18.022
  630    H    VAL  82           H        VAL  82  -5.297  -7.443 -19.750
  631    HA   VAL  82           HA       VAL  82  -3.094  -7.542 -21.558
  632    HB   VAL  82           HB       VAL  82  -3.834  -9.266 -19.165
  633   HG11  VAL  82          1HG1      VAL  82  -1.452  -9.989 -19.123
  634   HG12  VAL  82          2HG1      VAL  82  -2.324 -10.644 -20.508
  635   HG13  VAL  82          3HG1      VAL  82  -1.223  -9.261 -20.729
  636   HG21  VAL  82          3HG2      VAL  82  -3.279  -6.841 -18.767
  637   HG22  VAL  82          1HG2      VAL  82  -2.117  -7.949 -18.032
  638   HG23  VAL  82          2HG2      VAL  82  -1.710  -7.105 -19.543
  639    H    HIS  83           H        HIS  83  -5.709  -9.983 -21.061
  640    HA   HIS  83           HA       HIS  83  -4.740 -11.868 -22.960
  641    HB2  HIS  83           1HB      HIS  83  -6.442 -12.467 -21.373
  642    HB3  HIS  83           2HB      HIS  83  -7.537 -11.225 -21.964
  643    HD1  HIS  83           1HD      HIS  83  -6.103 -14.620 -23.095
  644    HD2  HIS  83           2HD      HIS  83  -9.077 -11.802 -24.019
  645    HE1  HIS  83           1HE      HIS  83  -7.542 -15.699 -24.884
  646    H    ILE  84           H        ILE  84  -7.123  -9.178 -23.494
  647    HA   ILE  84           HA       ILE  84  -7.415  -9.797 -26.285
  648    HB   ILE  84           HB       ILE  84  -8.069  -7.267 -24.743
  649   HG12  ILE  84          1HG1      ILE  84  -9.856  -9.542 -25.751
  650   HG13  ILE  84          2HG1      ILE  84  -9.278  -9.409 -24.098
  651   HG21  ILE  84          1HG2      ILE  84  -7.815  -6.752 -27.172
  652   HG22  ILE  84          2HG2      ILE  84  -8.927  -8.083 -27.568
  653   HG23  ILE  84          3HG2      ILE  84  -9.491  -6.650 -26.682
  654   HD11  ILE  84          3HD1      ILE  84 -10.458  -7.221 -23.863
  655   HD12  ILE  84          1HD1      ILE  84 -11.182  -7.485 -25.471
  656   HD13  ILE  84          2HD1      ILE  84 -11.525  -8.610 -24.152
  657    H    GLU  85           H        GLU  85  -5.321  -7.379 -24.657
  658    HA   GLU  85           HA       GLU  85  -4.195  -6.225 -27.011
  659    HB2  GLU  85           1HB      GLU  85  -3.148  -6.565 -24.171
  660    HB3  GLU  85           2HB      GLU  85  -2.296  -5.637 -25.392
  661    HG2  GLU  85           1HG      GLU  85  -5.144  -5.005 -24.514
  662    HG3  GLU  85           2HG      GLU  85  -3.702  -4.273 -23.820
  663    H    ARG  86           H        ARG  86  -3.399  -9.287 -25.423
  664    HA   ARG  86           HA       ARG  86  -0.919  -9.603 -27.058
  665    HB2  ARG  86           1HB      ARG  86  -2.057 -11.190 -24.735
  666    HB3  ARG  86           2HB      ARG  86  -0.615 -11.654 -25.647
  667    HG2  ARG  86           1HG      ARG  86   0.496  -9.530 -25.070
  668    HG3  ARG  86           2HG      ARG  86  -0.926  -9.012 -24.144
  669    HD2  ARG  86           1HD      ARG  86  -0.677 -10.962 -22.654
  670    HD3  ARG  86           2HD      ARG  86   0.736 -11.499 -23.587
  671    HE   ARG  86           HE       ARG  86   1.226  -8.835 -22.761
  672   HH11  ARG  86          2HH1      ARG  86   0.932 -11.967 -21.222
  673   HH12  ARG  86          1HH1      ARG  86   1.963 -11.513 -19.892
  674   HH21  ARG  86          1HH2      ARG  86   2.532  -8.320 -21.038
  675   HH22  ARG  86          2HH2      ARG  86   2.841  -9.498 -19.798
  676    H    VAL  87           H        VAL  87  -4.102 -11.158 -26.709
  677    HA   VAL  87           HA       VAL  87  -3.304 -13.259 -28.634
  678    HB   VAL  87           HB       VAL  87  -5.820 -12.998 -26.954
  679   HG11  VAL  87          1HG1      VAL  87  -6.062 -15.431 -27.375
  680   HG12  VAL  87          2HG1      VAL  87  -6.199 -14.498 -28.863
  681   HG13  VAL  87          3HG1      VAL  87  -4.691 -15.368 -28.507
  682   HG21  VAL  87          3HG2      VAL  87  -3.813 -13.260 -25.523
  683   HG22  VAL  87          1HG2      VAL  87  -4.742 -14.756 -25.545
  684   HG23  VAL  87          2HG2      VAL  87  -3.265 -14.623 -26.521
  685    H    HIS  88           H        HIS  88  -5.586 -10.521 -28.562
  686    HA   HIS  88           HA       HIS  88  -6.609 -11.379 -31.256
  687    HB2  HIS  88           1HB      HIS  88  -8.035  -9.854 -29.061
  688    HB3  HIS  88           2HB      HIS  88  -8.719 -10.347 -30.608
  689    HD1  HIS  88           1HD      HIS  88  -8.640 -13.229 -30.939
  690    HD2  HIS  88           2HD      HIS  88  -8.503 -11.489 -27.119
  691    HE1  HIS  88           1HE      HIS  88  -9.395 -15.043 -29.326
  692    H    LYS  89           H        LYS  89  -5.422  -8.569 -29.443
  693    HA   LYS  89           HA       LYS  89  -6.083  -6.588 -31.393
  694    HB2  LYS  89           1HB      LYS  89  -5.579  -6.171 -28.986
  695    HB3  LYS  89           2HB      LYS  89  -3.914  -6.660 -29.264
  696    HG2  LYS  89           1HG      LYS  89  -4.074  -4.244 -29.135
  697    HG3  LYS  89           2HG      LYS  89  -3.523  -4.744 -30.722
  698    HD2  LYS  89           1HD      LYS  89  -5.105  -2.889 -30.873
  699    HD3  LYS  89           2HD      LYS  89  -5.711  -4.318 -31.691
  700    HE2  LYS  89           1HE      LYS  89  -7.576  -3.391 -30.596
  701    HE3  LYS  89           2HE      LYS  89  -7.136  -4.807 -29.641
  702    HZ1  LYS  89           3HZ      LYS  89  -6.401  -2.001 -28.975
  703    HZ2  LYS  89           1HZ      LYS  89  -6.016  -3.302 -28.061
  704    HZ3  LYS  89           2HZ      LYS  89  -7.577  -2.862 -28.242
  705    H    LYS  90           H        LYS  90  -5.129  -5.939 -33.161
  706    HA   LYS  90           HA       LYS  90  -2.321  -6.554 -33.852
  707    HB2  LYS  90           1HB      LYS  90  -2.859  -7.482 -36.021
  708    HB3  LYS  90           2HB      LYS  90  -3.595  -8.463 -34.760
  709    HG2  LYS  90           1HG      LYS  90  -5.797  -7.418 -35.182
  710    HG3  LYS  90           2HG      LYS  90  -5.093  -6.373 -36.421
  711    HD2  LYS  90           1HD      LYS  90  -5.152  -9.417 -36.544
  712    HD3  LYS  90           2HD      LYS  90  -6.316  -8.340 -37.329
  713    HE2  LYS  90           1HE      LYS  90  -4.457  -7.279 -38.620
  714    HE3  LYS  90           2HE      LYS  90  -3.317  -8.414 -37.890
  715    HZ1  LYS  90           3HZ      LYS  90  -4.568 -10.236 -38.917
  716    HZ2  LYS  90           1HZ      LYS  90  -4.058  -9.194 -40.062
  717    HZ3  LYS  90           2HZ      LYS  90  -5.622  -9.189 -39.598
  718    H    ILE  91           H        ILE  91  -1.612  -5.443 -35.820
  719    HA   ILE  91           HA       ILE  91  -2.788  -2.746 -36.119
  720    HB   ILE  91           HB       ILE  91  -0.388  -2.990 -35.584
  721   HG12  ILE  91          1HG1      ILE  91  -0.827  -1.686 -38.298
  722   HG13  ILE  91          2HG1      ILE  91  -1.383  -1.007 -36.763
  723   HG21  ILE  91          1HG2      ILE  91   1.232  -3.760 -37.231
  724   HG22  ILE  91          2HG2      ILE  91   0.082  -5.058 -36.928
  725   HG23  ILE  91          3HG2      ILE  91  -0.050  -4.091 -38.411
  726   HD11  ILE  91          3HD1      ILE  91   0.696   0.049 -37.382
  727   HD12  ILE  91          1HD1      ILE  91   0.980  -0.960 -35.950
  728   HD13  ILE  91          2HD1      ILE  91   1.513  -1.510 -37.559
  729    H    LYS  92           H        LYS  92  -3.223  -1.888 -38.175
  730    HA   LYS  92           HA       LYS  92  -3.402  -3.623 -40.539
  731    HB2  LYS  92           1HB      LYS  92  -5.750  -3.140 -40.971
  732    HB3  LYS  92           2HB      LYS  92  -5.539  -4.064 -39.485
  733    HG2  LYS  92           1HG      LYS  92  -5.920  -2.032 -38.128
  734    HG3  LYS  92           2HG      LYS  92  -5.995  -1.044 -39.593
  735    HD2  LYS  92           1HD      LYS  92  -8.230  -1.433 -38.789
  736    HD3  LYS  92           2HD      LYS  92  -8.013  -2.261 -40.337
  737    HE2  LYS  92           1HE      LYS  92  -7.665  -4.412 -39.136
  738    HE3  LYS  92           2HE      LYS  92  -7.841  -3.579 -37.585
  739    HZ1  LYS  92           3HZ      LYS  92  -9.958  -3.777 -39.665
  740    HZ2  LYS  92           1HZ      LYS  92 -10.125  -3.011 -38.230
  741    HZ3  LYS  92           2HZ      LYS  92  -9.922  -4.629 -38.274
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  18.652  23.603 -44.577
    2    H2   GLY   1           2H       GLY   1  20.055  24.450 -44.612
    3    H3   GLY   1           3H       GLY   1  19.591  23.688 -43.238
    4    HA2  GLY   1           1HA      GLY   1  20.346  22.367 -45.767
    5    HA3  GLY   1           2HA      GLY   1  21.349  22.444 -44.305
    6    H    SER   2           H        SER   2  21.427  20.175 -44.111
    7    HA   SER   2           HA       SER   2  19.109  18.479 -44.030
    8    HB2  SER   2           1HB      SER   2  21.909  17.987 -42.954
    9    HB3  SER   2           2HB      SER   2  20.669  16.757 -43.257
   10    HG   SER   2           HG       SER   2  22.156  16.941 -45.005
   11    H    SER   3           H        SER   3  18.273  17.260 -42.291
   12    HA   SER   3           HA       SER   3  18.607  18.340 -39.524
   13    HB2  SER   3           1HB      SER   3  15.969  17.779 -40.933
   14    HB3  SER   3           2HB      SER   3  16.156  18.159 -39.213
   15    HG   SER   3           HG       SER   3  15.628  20.011 -40.473
   16    H    GLY   4           H        GLY   4  18.060  16.891 -37.835
   17    HA2  GLY   4           1HA      GLY   4  17.734  14.864 -36.781
   18    HA3  GLY   4           2HA      GLY   4  17.280  14.135 -38.320
   19    H    SER   5           H        SER   5  20.335  15.580 -38.643
   20    HA   SER   5           HA       SER   5  21.685  13.156 -39.113
   21    HB2  SER   5           1HB      SER   5  22.930  15.863 -38.511
   22    HB3  SER   5           2HB      SER   5  23.657  14.531 -39.429
   23    HG   SER   5           HG       SER   5  22.771  16.109 -40.816
   24    H    SER   6           H        SER   6  21.304  14.808 -36.083
   25    HA   SER   6           HA       SER   6  23.659  13.642 -34.803
   26    HB2  SER   6           1HB      SER   6  21.454  15.346 -33.607
   27    HB3  SER   6           2HB      SER   6  23.032  14.977 -32.883
   28    HG   SER   6           HG       SER   6  23.018  17.026 -33.917
   29    H    GLY   7           H        GLY   7  21.286  11.864 -35.662
   30    HA2  GLY   7           1HA      GLY   7  19.970  10.803 -33.382
   31    HA3  GLY   7           2HA      GLY   7  20.226   9.959 -34.906
   32    H    LYS   8           H        LYS   8  20.209   8.773 -32.331
   33    HA   LYS   8           HA       LYS   8  22.963   7.655 -32.071
   34    HB2  LYS   8           1HB      LYS   8  22.683   9.481 -30.431
   35    HB3  LYS   8           2HB      LYS   8  21.216   8.723 -29.801
   36    HG2  LYS   8           1HG      LYS   8  22.482   6.837 -28.935
   37    HG3  LYS   8           2HG      LYS   8  23.962   7.400 -29.743
   38    HD2  LYS   8           1HD      LYS   8  24.005   9.401 -28.319
   39    HD3  LYS   8           2HD      LYS   8  22.479   8.914 -27.547
   40    HE2  LYS   8           1HE      LYS   8  23.532   6.854 -26.701
   41    HE3  LYS   8           2HE      LYS   8  25.041   7.254 -27.530
   42    HZ1  LYS   8           3HZ      LYS   8  25.238   9.219 -26.114
   43    HZ2  LYS   8           1HZ      LYS   8  25.123   7.887 -25.184
   44    HZ3  LYS   8           2HZ      LYS   8  23.835   8.876 -25.348
   45    H    ILE   9           H        ILE   9  23.132   5.661 -31.110
   46    HA   ILE   9           HA       ILE   9  20.712   3.905 -31.184
   47    HB   ILE   9           HB       ILE   9  23.533   3.286 -32.151
   48   HG12  ILE   9          1HG1      ILE   9  20.938   3.626 -33.730
   49   HG13  ILE   9          2HG1      ILE   9  22.256   4.789 -33.689
   50   HG21  ILE   9          1HG2      ILE   9  21.027   1.553 -32.129
   51   HG22  ILE   9          2HG2      ILE   9  22.576   1.120 -32.889
   52   HG23  ILE   9          3HG2      ILE   9  22.498   1.303 -31.155
   53   HD11  ILE   9          3HD1      ILE   9  22.456   3.609 -35.722
   54   HD12  ILE   9          1HD1      ILE   9  23.792   3.095 -34.675
   55   HD13  ILE   9          2HD1      ILE   9  22.380   2.031 -34.926
   56    H    PHE  10           H        PHE  10  20.564   2.340 -29.597
   57    HA   PHE  10           HA       PHE  10  22.437   2.607 -27.271
   58    HB2  PHE  10           1HB      PHE  10  19.407   2.337 -27.322
   59    HB3  PHE  10           2HB      PHE  10  20.406   2.324 -25.876
   60    HD1  PHE  10           1HD      PHE  10  19.169   4.452 -28.668
   61    HD2  PHE  10           2HD      PHE  10  21.372   4.359 -24.962
   62    HE1  PHE  10           1HE      PHE  10  19.101   6.932 -28.567
   63    HE2  PHE  10           2HE      PHE  10  21.297   6.837 -24.859
   64    HZ   PHE  10           HZ       PHE  10  20.149   8.129 -26.648
   65    H    THR  11           H        THR  11  23.171   0.731 -26.326
   66    HA   THR  11           HA       THR  11  22.200  -1.858 -27.466
   67    HB   THR  11           HB       THR  11  25.087  -1.020 -27.055
   68    HG1  THR  11           1HG      THR  11  25.144  -0.873 -29.285
   69   HG21  THR  11          3HG2      THR  11  23.849  -3.416 -28.476
   70   HG22  THR  11          1HG2      THR  11  24.781  -3.462 -26.959
   71   HG23  THR  11          2HG2      THR  11  25.576  -2.998 -28.469
   72    H    CYS  12           H        CYS  12  22.017  -3.543 -26.135
   73    HA   CYS  12           HA       CYS  12  22.266  -3.228 -23.256
   74    HB2  CYS  12           1HB      CYS  12  20.430  -4.424 -24.276
   75    HB3  CYS  12           2HB      CYS  12  21.550  -5.564 -25.055
   76    H    GLU  13           H        GLU  13  23.885  -3.794 -21.968
   77    HA   GLU  13           HA       GLU  13  26.375  -4.889 -23.094
   78    HB2  GLU  13           1HB      GLU  13  27.394  -4.312 -21.010
   79    HB3  GLU  13           2HB      GLU  13  26.425  -2.958 -21.582
   80    HG2  GLU  13           1HG      GLU  13  24.605  -3.610 -19.988
   81    HG3  GLU  13           2HG      GLU  13  25.621  -4.932 -19.400
   82    H    TYR  14           H        TYR  14  23.604  -6.312 -21.802
   83    HA   TYR  14           HA       TYR  14  25.066  -8.594 -20.549
   84    HB2  TYR  14           1HB      TYR  14  22.157  -7.789 -20.454
   85    HB3  TYR  14           2HB      TYR  14  22.860  -9.161 -19.616
   86    HD1  TYR  14           2HD      TYR  14  24.509  -8.794 -17.751
   87    HD2  TYR  14           1HD      TYR  14  22.298  -5.558 -19.557
   88    HE1  TYR  14           2HE      TYR  14  24.978  -7.359 -15.763
   89    HE2  TYR  14           1HE      TYR  14  22.770  -4.129 -17.572
   90    HH   TYR  14           HH       TYR  14  23.774  -3.991 -15.518
   91    H    CYS  15           H        CYS  15  22.853  -7.895 -23.248
   92    HA   CYS  15           HA       CYS  15  23.312 -10.656 -24.241
   93    HB2  CYS  15           1HB      CYS  15  21.037 -10.986 -24.828
   94    HB3  CYS  15           2HB      CYS  15  21.174 -10.667 -23.101
   95    H    ASN  16           H        ASN  16  24.019  -7.646 -24.989
   96    HA   ASN  16           HA       ASN  16  24.627  -6.515 -26.806
   97    HB2  ASN  16           1HB      ASN  16  25.968  -8.671 -26.916
   98    HB3  ASN  16           2HB      ASN  16  24.869  -9.190 -28.195
   99   HD21  ASN  16          1HD2      ASN  16  26.664  -9.279 -29.683
  100   HD22  ASN  16          2HD2      ASN  16  27.378  -7.796 -30.301
  101    H    LYS  17           H        LYS  17  21.663  -7.132 -26.643
  102    HA   LYS  17           HA       LYS  17  20.656  -6.861 -29.368
  103    HB2  LYS  17           1HB      LYS  17  19.462  -6.406 -26.614
  104    HB3  LYS  17           2HB      LYS  17  18.560  -6.078 -28.110
  105    HG2  LYS  17           1HG      LYS  17  18.776  -8.418 -28.811
  106    HG3  LYS  17           2HG      LYS  17  19.779  -8.758 -27.386
  107    HD2  LYS  17           1HD      LYS  17  17.825  -7.942 -25.951
  108    HD3  LYS  17           2HD      LYS  17  16.859  -7.846 -27.420
  109    HE2  LYS  17           1HE      LYS  17  16.409  -9.866 -26.140
  110    HE3  LYS  17           2HE      LYS  17  17.024 -10.252 -27.753
  111    HZ1  LYS  17           3HZ      LYS  17  18.811 -10.157 -25.373
  112    HZ2  LYS  17           1HZ      LYS  17  19.135 -10.810 -26.824
  113    HZ3  LYS  17           2HZ      LYS  17  18.055 -11.547 -25.846
  114    H    VAL  18           H        VAL  18  19.741  -5.079 -30.299
  115    HA   VAL  18           HA       VAL  18  20.901  -2.432 -29.501
  116    HB   VAL  18           HB       VAL  18  20.459  -3.482 -32.319
  117   HG11  VAL  18          1HG1      VAL  18  21.743  -0.927 -31.269
  118   HG12  VAL  18          2HG1      VAL  18  21.781  -1.460 -32.964
  119   HG13  VAL  18          3HG1      VAL  18  20.240  -1.030 -32.219
  120   HG21  VAL  18          3HG2      VAL  18  22.387  -4.615 -31.256
  121   HG22  VAL  18          1HG2      VAL  18  22.938  -3.462 -32.470
  122   HG23  VAL  18          2HG2      VAL  18  23.041  -3.041 -30.749
  123    H    PHE  19           H        PHE  19  19.649  -0.697 -29.473
  124    HA   PHE  19           HA       PHE  19  16.758  -0.881 -30.171
  125    HB2  PHE  19           1HB      PHE  19  17.977   0.186 -27.592
  126    HB3  PHE  19           2HB      PHE  19  16.272   0.183 -28.012
  127    HD1  PHE  19           2HD      PHE  19  14.980  -1.963 -28.107
  128    HD2  PHE  19           1HD      PHE  19  19.080  -1.828 -26.788
  129    HE1  PHE  19           2HE      PHE  19  14.772  -4.277 -27.221
  130    HE2  PHE  19           1HE      PHE  19  18.868  -4.136 -25.898
  131    HZ   PHE  19           HZ       PHE  19  16.726  -5.388 -26.151
  132    H    LYS  20           H        LYS  20  15.727   1.047 -30.670
  133    HA   LYS  20           HA       LYS  20  17.393   3.037 -31.982
  134    HB2  LYS  20           1HB      LYS  20  14.387   2.748 -31.645
  135    HB3  LYS  20           2HB      LYS  20  15.160   4.050 -32.560
  136    HG2  LYS  20           1HG      LYS  20  16.259   2.397 -34.042
  137    HG3  LYS  20           2HG      LYS  20  15.523   1.074 -33.130
  138    HD2  LYS  20           1HD      LYS  20  14.267   1.420 -35.144
  139    HD3  LYS  20           2HD      LYS  20  13.267   1.889 -33.758
  140    HE2  LYS  20           1HE      LYS  20  13.770   4.278 -34.191
  141    HE3  LYS  20           2HE      LYS  20  14.837   3.824 -35.527
  142    HZ1  LYS  20           3HZ      LYS  20  11.911   3.300 -35.434
  143    HZ2  LYS  20           1HZ      LYS  20  12.898   2.888 -36.669
  144    HZ3  LYS  20           2HZ      LYS  20  12.632   4.460 -36.326
  145    H    PHE  21           H        PHE  21  15.890   2.968 -28.844
  146    HA   PHE  21           HA       PHE  21  16.576   5.837 -28.398
  147    HB2  PHE  21           1HB      PHE  21  13.956   4.556 -27.558
  148    HB3  PHE  21           2HB      PHE  21  14.430   6.236 -27.367
  149    HD1  PHE  21           2HD      PHE  21  14.879   7.614 -29.553
  150    HD2  PHE  21           1HD      PHE  21  12.717   3.882 -29.454
  151    HE1  PHE  21           2HE      PHE  21  13.842   8.153 -31.746
  152    HE2  PHE  21           1HE      PHE  21  11.683   4.423 -31.647
  153    HZ   PHE  21           HZ       PHE  21  12.245   6.560 -32.797
  154    H    LYS  22           H        LYS  22  16.856   6.478 -26.248
  155    HA   LYS  22           HA       LYS  22  18.147   4.691 -24.470
  156    HB2  LYS  22           1HB      LYS  22  18.374   7.191 -24.561
  157    HB3  LYS  22           2HB      LYS  22  16.783   7.344 -23.815
  158    HG2  LYS  22           1HG      LYS  22  17.610   6.085 -21.827
  159    HG3  LYS  22           2HG      LYS  22  19.209   5.957 -22.565
  160    HD2  LYS  22           1HD      LYS  22  17.783   8.564 -21.853
  161    HD3  LYS  22           2HD      LYS  22  19.009   7.766 -20.856
  162    HE2  LYS  22           1HE      LYS  22  20.671   8.017 -22.685
  163    HE3  LYS  22           2HE      LYS  22  19.456   8.840 -23.675
  164    HZ1  LYS  22           3HZ      LYS  22  19.338  10.579 -21.968
  165    HZ2  LYS  22           1HZ      LYS  22  20.867  10.438 -22.514
  166    HZ3  LYS  22           2HZ      LYS  22  20.465   9.824 -21.057
  167    H    HIS  23           H        HIS  23  14.756   5.854 -24.414
  168    HA   HIS  23           HA       HIS  23  14.058   4.507 -21.995
  169    HB2  HIS  23           1HB      HIS  23  11.745   4.968 -22.623
  170    HB3  HIS  23           2HB      HIS  23  12.782   6.375 -22.786
  171    HD1  HIS  23           1HD      HIS  23  12.698   7.579 -25.126
  172    HD2  HIS  23           2HD      HIS  23  10.963   3.744 -25.026
  173    HE1  HIS  23           1HE      HIS  23  11.537   7.259 -27.372
  174    H    SER  24           H        SER  24  14.067   3.336 -25.366
  175    HA   SER  24           HA       SER  24  12.672   0.870 -24.891
  176    HB2  SER  24           1HB      SER  24  14.823   1.490 -26.946
  177    HB3  SER  24           2HB      SER  24  13.683   0.136 -26.998
  178    HG   SER  24           HG       SER  24  11.990   1.632 -27.215
  179    H    LEU  25           H        LEU  25  16.204   1.661 -24.869
  180    HA   LEU  25           HA       LEU  25  17.003  -0.955 -23.994
  181    HB2  LEU  25           1HB      LEU  25  18.577   0.552 -25.056
  182    HB3  LEU  25           2HB      LEU  25  18.371   1.748 -23.773
  183    HG   LEU  25           HG       LEU  25  19.378   0.194 -22.129
  184   HD11  LEU  25          1HD1      LEU  25  18.790  -1.992 -23.157
  185   HD12  LEU  25          2HD1      LEU  25  20.520  -1.851 -22.861
  186   HD13  LEU  25          3HD1      LEU  25  19.890  -1.645 -24.509
  187   HD21  LEU  25          3HD2      LEU  25  21.109   0.507 -24.595
  188   HD22  LEU  25          1HD2      LEU  25  21.667   0.284 -22.929
  189   HD23  LEU  25          2HD2      LEU  25  20.813   1.771 -23.375
  190    H    GLN  26           H        GLN  26  16.235   2.034 -22.107
  191    HA   GLN  26           HA       GLN  26  16.830   0.995 -19.536
  192    HB2  GLN  26           1HB      GLN  26  14.856   3.074 -20.522
  193    HB3  GLN  26           2HB      GLN  26  15.008   2.692 -18.811
  194    HG2  GLN  26           1HG      GLN  26  17.365   3.307 -18.800
  195    HG3  GLN  26           2HG      GLN  26  17.363   3.600 -20.529
  196   HE21  GLN  26          1HE2      GLN  26  18.188   5.580 -18.661
  197   HE22  GLN  26          2HE2      GLN  26  17.000   6.877 -18.713
  198    H    ALA  27           H        ALA  27  13.729   0.756 -21.356
  199    HA   ALA  27           HA       ALA  27  12.393  -0.749 -19.287
  200    HB1  ALA  27           1HB      ALA  27  11.228   0.560 -21.005
  201    HB2  ALA  27           2HB      ALA  27  11.853  -0.525 -22.272
  202    HB3  ALA  27           3HB      ALA  27  10.729  -1.148 -21.039
  203    H    HIS  28           H        HIS  28  14.397  -1.729 -22.092
  204    HA   HIS  28           HA       HIS  28  13.912  -4.559 -21.857
  205    HB2  HIS  28           1HB      HIS  28  14.816  -3.687 -23.904
  206    HB3  HIS  28           2HB      HIS  28  16.170  -2.926 -23.070
  207    HD1  HIS  28           1HD      HIS  28  14.894  -6.526 -23.731
  208    HD2  HIS  28           2HD      HIS  28  18.334  -4.338 -22.706
  209    HE1  HIS  28           1HE      HIS  28  16.781  -8.212 -23.636
  210    H    LEU  29           H        LEU  29  16.439  -2.442 -20.430
  211    HA   LEU  29           HA       LEU  29  18.036  -4.432 -19.273
  212    HB2  LEU  29           1HB      LEU  29  17.469  -1.547 -18.544
  213    HB3  LEU  29           2HB      LEU  29  18.599  -2.503 -17.599
  214    HG   LEU  29           HG       LEU  29  18.919  -2.130 -20.604
  215   HD11  LEU  29          1HD1      LEU  29  20.206  -0.589 -18.310
  216   HD12  LEU  29          2HD1      LEU  29  19.031   0.059 -19.477
  217   HD13  LEU  29          3HD1      LEU  29  20.634  -0.446 -20.029
  218   HD21  LEU  29          3HD2      LEU  29  21.266  -2.757 -20.132
  219   HD22  LEU  29          1HD2      LEU  29  20.153  -4.057 -19.718
  220   HD23  LEU  29          2HD2      LEU  29  20.839  -3.044 -18.430
  221    H    ARG  30           H        ARG  30  14.879  -3.471 -18.170
  222    HA   ARG  30           HA       ARG  30  15.015  -4.255 -15.433
  223    HB2  ARG  30           1HB      ARG  30  12.684  -4.399 -17.393
  224    HB3  ARG  30           2HB      ARG  30  12.564  -4.599 -15.645
  225    HG2  ARG  30           1HG      ARG  30  13.550  -2.285 -15.353
  226    HG3  ARG  30           2HG      ARG  30  13.481  -2.086 -17.109
  227    HD2  ARG  30           1HD      ARG  30  11.552  -1.026 -16.137
  228    HD3  ARG  30           2HD      ARG  30  11.016  -2.456 -17.042
  229    HE   ARG  30           HE       ARG  30  11.435  -3.301 -14.370
  230   HH11  ARG  30          2HH1      ARG  30   9.184  -1.075 -15.910
  231   HH12  ARG  30          1HH1      ARG  30   7.989  -1.343 -14.667
  232   HH21  ARG  30          2HH2      ARG  30  10.005  -3.590 -12.961
  233   HH22  ARG  30          1HH2      ARG  30   8.438  -2.767 -12.968
  234    H    ILE  31           H        ILE  31  15.086  -6.380 -18.240
  235    HA   ILE  31           HA       ILE  31  14.355  -8.737 -16.669
  236    HB   ILE  31           HB       ILE  31  14.765 -10.022 -18.508
  237   HG12  ILE  31          1HG1      ILE  31  16.265  -7.772 -19.878
  238   HG13  ILE  31          2HG1      ILE  31  16.929  -9.279 -19.260
  239   HG21  ILE  31          1HG2      ILE  31  13.611  -7.461 -19.667
  240   HG22  ILE  31          2HG2      ILE  31  13.215  -9.132 -20.113
  241   HG23  ILE  31          3HG2      ILE  31  12.747  -8.518 -18.528
  242   HD11  ILE  31          3HD1      ILE  31  15.030  -8.993 -21.601
  243   HD12  ILE  31          1HD1      ILE  31  16.719  -9.541 -21.609
  244   HD13  ILE  31          2HD1      ILE  31  15.471 -10.549 -20.851
  245    H    HIS  32           H        HIS  32  17.265  -6.977 -17.220
  246    HA   HIS  32           HA       HIS  32  19.034  -9.185 -16.300
  247    HB2  HIS  32           1HB      HIS  32  19.725  -6.435 -17.387
  248    HB3  HIS  32           2HB      HIS  32  20.850  -7.741 -17.045
  249    HD1  HIS  32           1HD      HIS  32  20.105 -10.129 -18.635
  250    HD2  HIS  32           2HD      HIS  32  19.233  -6.223 -19.892
  251    HE1  HIS  32           1HE      HIS  32  19.850 -10.257 -21.160
  252    H    THR  33           H        THR  33  17.934  -5.922 -15.301
  253    HA   THR  33           HA       THR  33  19.577  -5.913 -12.872
  254    HB   THR  33           HB       THR  33  18.367  -3.875 -12.287
  255    HG1  THR  33           1HG      THR  33  16.865  -3.031 -13.718
  256   HG21  THR  33          3HG2      THR  33  19.143  -2.447 -14.099
  257   HG22  THR  33          1HG2      THR  33  19.236  -3.830 -15.210
  258   HG23  THR  33          2HG2      THR  33  20.327  -3.731 -13.810
  259    H    ASN  34           H        ASN  34  18.576  -5.635 -10.692
  260    HA   ASN  34           HA       ASN  34  16.768  -7.876 -10.211
  261    HB2  ASN  34           1HB      ASN  34  17.302  -7.540  -7.878
  262    HB3  ASN  34           2HB      ASN  34  18.768  -7.578  -8.844
  263   HD21  ASN  34          1HD2      ASN  34  17.196  -5.888  -6.370
  264   HD22  ASN  34          2HD2      ASN  34  18.138  -4.410  -6.485
  265    H    GLU  35           H        GLU  35  14.684  -7.850  -9.797
  266    HA   GLU  35           HA       GLU  35  13.333  -5.699  -8.419
  267    HB2  GLU  35           1HB      GLU  35  11.552  -5.361 -10.086
  268    HB3  GLU  35           2HB      GLU  35  13.108  -4.741 -10.613
  269    HG2  GLU  35           1HG      GLU  35  13.419  -6.594 -12.154
  270    HG3  GLU  35           2HG      GLU  35  12.005  -7.433 -11.500
  271    H    LYS  36           H        LYS  36  10.937  -6.326  -8.107
  272    HA   LYS  36           HA       LYS  36  10.923  -8.737  -6.663
  273    HB2  LYS  36           1HB      LYS  36   8.652  -6.954  -7.590
  274    HB3  LYS  36           2HB      LYS  36   8.438  -8.309  -6.476
  275    HG2  LYS  36           1HG      LYS  36   9.999  -7.301  -4.867
  276    HG3  LYS  36           2HG      LYS  36  10.303  -5.946  -5.972
  277    HD2  LYS  36           1HD      LYS  36   7.911  -5.300  -5.856
  278    HD3  LYS  36           2HD      LYS  36   7.607  -6.649  -4.742
  279    HE2  LYS  36           1HE      LYS  36   9.218  -5.687  -3.122
  280    HE3  LYS  36           2HE      LYS  36   9.536  -4.344  -4.227
  281    HZ1  LYS  36           3HZ      LYS  36   6.890  -4.938  -3.005
  282    HZ2  LYS  36           1HZ      LYS  36   7.203  -3.687  -4.009
  283    HZ3  LYS  36           2HZ      LYS  36   7.896  -3.742  -2.534
  284    HA   PRO  37           HA       PRO  37  10.195 -11.462 -10.140
  285    HB2  PRO  37           1HB      PRO  37  10.466 -13.899  -8.916
  286    HB3  PRO  37           2HB      PRO  37  11.822 -12.780  -9.222
  287    HG2  PRO  37           1HG      PRO  37  10.247 -13.112  -6.657
  288    HG3  PRO  37           2HG      PRO  37  12.026 -13.092  -6.863
  289    HD2  PRO  37           1HD      PRO  37  10.645 -10.866  -6.129
  290    HD3  PRO  37           2HD      PRO  37  12.047 -10.767  -7.228
  291    H    TYR  38           H        TYR  38   8.272 -12.021  -7.163
  292    HA   TYR  38           HA       TYR  38   6.419 -13.768  -8.610
  293    HB2  TYR  38           1HB      TYR  38   6.433 -12.900  -5.709
  294    HB3  TYR  38           2HB      TYR  38   5.329 -14.060  -6.421
  295    HD1  TYR  38           1HD      TYR  38   6.389 -16.081  -7.733
  296    HD2  TYR  38           2HD      TYR  38   8.478 -13.691  -4.831
  297    HE1  TYR  38           1HE      TYR  38   8.069 -17.903  -7.440
  298    HE2  TYR  38           2HE      TYR  38  10.145 -15.518  -4.505
  299    HH   TYR  38           HH       TYR  38  10.812 -17.618  -5.148
  300    H    LYS  39           H        LYS  39   5.788 -12.274 -10.143
  301    HA   LYS  39           HA       LYS  39   4.108  -9.960  -9.479
  302    HB2  LYS  39           1HB      LYS  39   4.968 -11.230 -12.094
  303    HB3  LYS  39           2HB      LYS  39   3.944  -9.790 -11.988
  304    HG2  LYS  39           1HG      LYS  39   5.672  -8.522 -10.885
  305    HG3  LYS  39           2HG      LYS  39   6.701  -9.951 -10.701
  306    HD2  LYS  39           1HD      LYS  39   6.885 -10.135 -13.163
  307    HD3  LYS  39           2HD      LYS  39   5.883  -8.676 -13.345
  308    HE2  LYS  39           1HE      LYS  39   7.554  -7.372 -12.047
  309    HE3  LYS  39           2HE      LYS  39   8.545  -8.821 -11.852
  310    HZ1  LYS  39           3HZ      LYS  39   9.326  -7.435 -13.683
  311    HZ2  LYS  39           1HZ      LYS  39   7.892  -7.551 -14.459
  312    HZ3  LYS  39           2HZ      LYS  39   8.829  -8.882 -14.267
  313    H    CYS  40           H        CYS  40   2.000  -9.668  -9.870
  314    HA   CYS  40           HA       CYS  40   0.207 -11.958  -9.883
  315    HB2  CYS  40           1HB      CYS  40  -0.186 -10.014  -8.524
  316    HB3  CYS  40           2HB      CYS  40  -0.212  -8.960  -9.955
  317    HA   PRO  41           HA       PRO  41  -0.332 -11.800 -14.401
  318    HB2  PRO  41           1HB      PRO  41  -2.225 -13.719 -14.716
  319    HB3  PRO  41           2HB      PRO  41  -0.550 -14.109 -14.219
  320    HG2  PRO  41           1HG      PRO  41  -2.995 -13.815 -12.450
  321    HG3  PRO  41           2HG      PRO  41  -1.766 -15.115 -12.437
  322    HD2  PRO  41           1HD      PRO  41  -1.724 -12.917 -10.755
  323    HD3  PRO  41           2HD      PRO  41  -0.243 -13.781 -11.272
  324    H    GLN  42           H        GLN  42  -2.614 -10.805 -12.013
  325    HA   GLN  42           HA       GLN  42  -4.603  -9.903 -14.059
  326    HB2  GLN  42           1HB      GLN  42  -4.913 -10.650 -11.137
  327    HB3  GLN  42           2HB      GLN  42  -6.184  -9.894 -12.104
  328    HG2  GLN  42           1HG      GLN  42  -6.193 -11.773 -13.669
  329    HG3  GLN  42           2HG      GLN  42  -4.854 -12.542 -12.823
  330   HE21  GLN  42          1HE2      GLN  42  -8.356 -11.934 -12.714
  331   HE22  GLN  42          2HE2      GLN  42  -8.612 -12.937 -11.292
  332    H    CYS  43           H        CYS  43  -2.451  -8.596 -11.496
  333    HA   CYS  43           HA       CYS  43  -3.226  -5.913 -12.452
  334    HB2  CYS  43           1HB      CYS  43  -3.669  -5.051 -10.260
  335    HB3  CYS  43           2HB      CYS  43  -4.728  -6.423 -10.551
  336    H    SER  44           H        SER  44  -1.813  -4.281 -10.966
  337    HA   SER  44           HA       SER  44   0.874  -4.647 -11.904
  338    HB2  SER  44           1HB      SER  44  -0.224  -2.527 -10.026
  339    HB3  SER  44           2HB      SER  44   1.279  -2.435 -10.966
  340    HG   SER  44           HG       SER  44  -0.455  -1.336 -11.999
  341    H    TYR  45           H        TYR  45  -0.408  -6.054  -9.193
  342    HA   TYR  45           HA       TYR  45   1.440  -5.570  -7.112
  343    HB2  TYR  45           1HB      TYR  45  -0.713  -6.578  -6.756
  344    HB3  TYR  45           2HB      TYR  45  -0.344  -7.914  -7.829
  345    HD1  TYR  45           1HD      TYR  45   1.413  -9.656  -7.071
  346    HD2  TYR  45           2HD      TYR  45  -0.062  -6.560  -4.446
  347    HE1  TYR  45           1HE      TYR  45   2.298 -10.894  -5.107
  348    HE2  TYR  45           2HE      TYR  45   0.793  -7.828  -2.483
  349    HH   TYR  45           HH       TYR  45   1.870  -9.712  -1.762
  350    H    ALA  46           H        ALA  46   3.297  -6.442  -6.484
  351    HA   ALA  46           HA       ALA  46   4.322  -8.931  -7.586
  352    HB1  ALA  46           1HB      ALA  46   6.059  -6.430  -7.729
  353    HB2  ALA  46           2HB      ALA  46   6.490  -8.076  -8.258
  354    HB3  ALA  46           3HB      ALA  46   5.244  -7.160  -9.125
  355    H    SER  47           H        SER  47   5.845  -9.976  -6.221
  356    HA   SER  47           HA       SER  47   6.772  -8.587  -3.775
  357    HB2  SER  47           1HB      SER  47   4.543  -9.701  -3.300
  358    HB3  SER  47           2HB      SER  47   5.348 -11.260  -3.563
  359    HG   SER  47           HG       SER  47   6.077  -9.225  -1.674
  360    H    ALA  48           H        ALA  48   8.212 -10.014  -2.458
  361    HA   ALA  48           HA       ALA  48  10.137 -11.500  -4.166
  362    HB1  ALA  48           1HB      ALA  48  10.442 -10.310  -1.383
  363    HB2  ALA  48           2HB      ALA  48  11.725 -11.061  -2.356
  364    HB3  ALA  48           3HB      ALA  48  10.972  -9.552  -2.903
  365    H    ILE  49           H        ILE  49   7.502 -12.281  -2.281
  366    HA   ILE  49           HA       ILE  49   8.614 -14.979  -1.614
  367    HB   ILE  49           HB       ILE  49   6.663 -13.371   0.070
  368   HG12  ILE  49          1HG1      ILE  49   9.588 -14.072   0.585
  369   HG13  ILE  49          2HG1      ILE  49   8.944 -12.460   0.257
  370   HG21  ILE  49          1HG2      ILE  49   6.260 -15.842   0.141
  371   HG22  ILE  49          2HG2      ILE  49   7.959 -16.089   0.602
  372   HG23  ILE  49          3HG2      ILE  49   6.830 -15.236   1.676
  373   HD11  ILE  49          3HD1      ILE  49   9.339 -12.585   2.591
  374   HD12  ILE  49          1HD1      ILE  49   7.579 -12.610   2.357
  375   HD13  ILE  49          2HD1      ILE  49   8.462 -14.110   2.753
  376    H    LYS  50           H        LYS  50   7.558 -16.610  -2.510
  377    HA   LYS  50           HA       LYS  50   5.388 -16.230  -4.329
  378    HB2  LYS  50           1HB      LYS  50   7.235 -17.981  -4.367
  379    HB3  LYS  50           2HB      LYS  50   6.338 -18.872  -3.137
  380    HG2  LYS  50           1HG      LYS  50   4.409 -19.068  -4.681
  381    HG3  LYS  50           2HG      LYS  50   5.264 -18.092  -5.890
  382    HD2  LYS  50           1HD      LYS  50   7.079 -19.809  -5.955
  383    HD3  LYS  50           2HD      LYS  50   6.165 -20.816  -4.832
  384    HE2  LYS  50           1HE      LYS  50   5.175 -19.903  -7.576
  385    HE3  LYS  50           2HE      LYS  50   5.972 -21.447  -7.270
  386    HZ1  LYS  50           3HZ      LYS  50   4.155 -22.020  -5.749
  387    HZ2  LYS  50           1HZ      LYS  50   3.578 -21.714  -7.240
  388    HZ3  LYS  50           2HZ      LYS  50   3.391 -20.606  -6.060
  389    H    ALA  51           H        ALA  51   5.393 -17.505  -1.005
  390    HA   ALA  51           HA       ALA  51   2.602 -18.154  -0.894
  391    HB1  ALA  51           1HB      ALA  51   4.533 -17.354   1.335
  392    HB2  ALA  51           2HB      ALA  51   2.968 -18.166   1.543
  393    HB3  ALA  51           3HB      ALA  51   4.288 -18.999   0.701
  394    H    ASN  52           H        ASN  52   4.297 -15.021  -0.505
  395    HA   ASN  52           HA       ASN  52   1.983 -13.642   0.565
  396    HB2  ASN  52           1HB      ASN  52   4.417 -12.923   0.764
  397    HB3  ASN  52           2HB      ASN  52   4.341 -12.439  -0.935
  398   HD21  ASN  52          1HD2      ASN  52   4.703 -10.255  -0.450
  399   HD22  ASN  52          2HD2      ASN  52   3.532  -9.273   0.433
  400    H    LEU  53           H        LEU  53   3.290 -14.109  -2.767
  401    HA   LEU  53           HA       LEU  53   1.175 -12.760  -4.121
  402    HB2  LEU  53           1HB      LEU  53   3.241 -13.365  -5.246
  403    HB3  LEU  53           2HB      LEU  53   2.958 -15.079  -4.948
  404    HG   LEU  53           HG       LEU  53   0.946 -15.007  -6.417
  405   HD11  LEU  53          1HD1      LEU  53   0.393 -12.586  -6.244
  406   HD12  LEU  53          2HD1      LEU  53   0.597 -13.101  -7.921
  407   HD13  LEU  53          3HD1      LEU  53   1.895 -12.196  -7.115
  408   HD21  LEU  53          3HD2      LEU  53   3.173 -15.670  -7.277
  409   HD22  LEU  53          1HD2      LEU  53   3.451 -13.985  -7.781
  410   HD23  LEU  53          2HD2      LEU  53   2.141 -14.927  -8.514
  411    H    ASN  54           H        ASN  54   1.341 -16.146  -2.875
  412    HA   ASN  54           HA       ASN  54  -1.192 -16.957  -3.916
  413    HB2  ASN  54           1HB      ASN  54   0.674 -18.389  -2.934
  414    HB3  ASN  54           2HB      ASN  54   0.105 -17.920  -1.333
  415   HD21  ASN  54          1HD2      ASN  54  -0.325 -20.115  -3.919
  416   HD22  ASN  54          2HD2      ASN  54  -1.807 -20.845  -3.316
  417    H    VAL  55           H        VAL  55  -0.408 -15.254  -0.885
  418    HA   VAL  55           HA       VAL  55  -3.141 -15.098   0.098
  419    HB   VAL  55           HB       VAL  55  -0.627 -13.599   0.849
  420   HG11  VAL  55          1HG1      VAL  55  -1.817 -13.013   2.966
  421   HG12  VAL  55          2HG1      VAL  55  -2.477 -12.179   1.564
  422   HG13  VAL  55          3HG1      VAL  55  -3.338 -13.582   2.241
  423   HG21  VAL  55          3HG2      VAL  55  -0.658 -15.091   2.791
  424   HG22  VAL  55          1HG2      VAL  55  -2.181 -15.829   2.230
  425   HG23  VAL  55          2HG2      VAL  55  -0.685 -16.053   1.310
  426    H    HIS  56           H        HIS  56  -1.347 -13.266  -2.212
  427    HA   HIS  56           HA       HIS  56  -3.362 -11.110  -2.380
  428    HB2  HIS  56           1HB      HIS  56  -1.052 -10.550  -2.793
  429    HB3  HIS  56           2HB      HIS  56  -0.912 -11.789  -4.044
  430    HD1  HIS  56           1HD      HIS  56  -2.906  -8.524  -3.456
  431    HD2  HIS  56           2HD      HIS  56  -1.664 -11.178  -6.472
  432    HE1  HIS  56           1HE      HIS  56  -3.761  -7.547  -5.622
  433    H    LEU  57           H        LEU  57  -2.517 -13.934  -4.464
  434    HA   LEU  57           HA       LEU  57  -4.402 -13.393  -6.511
  435    HB2  LEU  57           1HB      LEU  57  -3.205 -15.937  -5.432
  436    HB3  LEU  57           2HB      LEU  57  -4.233 -15.944  -6.861
  437    HG   LEU  57           HG       LEU  57  -1.671 -14.300  -6.681
  438   HD11  LEU  57          1HD1      LEU  57  -0.648 -16.104  -8.017
  439   HD12  LEU  57          2HD1      LEU  57  -2.142 -17.062  -7.875
  440   HD13  LEU  57          3HD1      LEU  57  -1.171 -16.697  -6.429
  441   HD21  LEU  57          3HD2      LEU  57  -1.824 -14.362  -9.138
  442   HD22  LEU  57          1HD2      LEU  57  -3.193 -13.506  -8.423
  443   HD23  LEU  57          2HD2      LEU  57  -3.402 -15.167  -9.030
  444    H    ARG  58           H        ARG  58  -4.890 -15.119  -3.450
  445    HA   ARG  58           HA       ARG  58  -7.609 -15.926  -3.903
  446    HB2  ARG  58           1HB      ARG  58  -7.706 -16.359  -1.543
  447    HB3  ARG  58           2HB      ARG  58  -6.169 -16.900  -2.227
  448    HG2  ARG  58           1HG      ARG  58  -5.053 -14.875  -1.354
  449    HG3  ARG  58           2HG      ARG  58  -6.583 -14.308  -0.673
  450    HD2  ARG  58           1HD      ARG  58  -5.314 -15.293   1.090
  451    HD3  ARG  58           2HD      ARG  58  -6.692 -16.359   0.718
  452    HE   ARG  58           HE       ARG  58  -4.322 -17.165  -0.742
  453   HH11  ARG  58          2HH1      ARG  58  -5.658 -17.310   2.503
  454   HH12  ARG  58          1HH1      ARG  58  -4.732 -18.726   2.920
  455   HH21  ARG  58          2HH2      ARG  58  -3.182 -18.994  -0.140
  456   HH22  ARG  58          1HH2      ARG  58  -3.380 -19.645   1.465
  457    H    LYS  59           H        LYS  59  -6.473 -12.763  -3.540
  458    HA   LYS  59           HA       LYS  59  -9.052 -11.645  -2.589
  459    HB2  LYS  59           1HB      LYS  59  -6.660 -10.129  -3.699
  460    HB3  LYS  59           2HB      LYS  59  -8.032  -9.485  -2.797
  461    HG2  LYS  59           1HG      LYS  59  -7.332 -10.911  -0.828
  462    HG3  LYS  59           2HG      LYS  59  -5.871 -11.346  -1.737
  463    HD2  LYS  59           1HD      LYS  59  -5.213  -8.967  -1.850
  464    HD3  LYS  59           2HD      LYS  59  -6.673  -8.524  -0.931
  465    HE2  LYS  59           1HE      LYS  59  -5.914 -10.007   0.936
  466    HE3  LYS  59           2HE      LYS  59  -4.441 -10.377   0.035
  467    HZ1  LYS  59           3HZ      LYS  59  -5.235  -7.668   0.977
  468    HZ2  LYS  59           1HZ      LYS  59  -3.866  -7.998   0.147
  469    HZ3  LYS  59           2HZ      LYS  59  -4.077  -8.596   1.651
  470    H    HIS  60           H        HIS  60  -7.636 -12.521  -5.626
  471    HA   HIS  60           HA       HIS  60  -9.428 -10.850  -7.236
  472    HB2  HIS  60           1HB      HIS  60  -7.371 -12.957  -7.959
  473    HB3  HIS  60           2HB      HIS  60  -8.396 -12.165  -9.141
  474    HD1  HIS  60           1HD      HIS  60  -8.267  -9.313  -8.990
  475    HD2  HIS  60           2HD      HIS  60  -5.058 -11.728  -7.717
  476    HE1  HIS  60           1HE      HIS  60  -6.225  -7.816  -9.061
  477    H    THR  61           H        THR  61 -10.548 -13.051  -5.359
  478    HA   THR  61           HA       THR  61 -12.036 -14.807  -7.159
  479    HB   THR  61           HB       THR  61 -13.149 -15.527  -5.027
  480    HG1  THR  61           1HG      THR  61 -12.194 -14.712  -3.112
  481   HG21  THR  61          3HG2      THR  61 -11.109 -16.661  -5.817
  482   HG22  THR  61          1HG2      THR  61 -11.177 -16.598  -4.049
  483   HG23  THR  61          2HG2      THR  61 -10.101 -15.497  -4.936
  484    H    GLY  62           H        GLY  62 -12.418 -11.628  -6.804
  485    HA2  GLY  62           1HA      GLY  62 -15.253 -11.300  -6.278
  486    HA3  GLY  62           2HA      GLY  62 -14.123 -10.094  -6.872
  487    H    GLU  63           H        GLU  63 -15.248  -9.218  -8.545
  488    HA   GLU  63           HA       GLU  63 -17.091 -10.575 -10.187
  489    HB2  GLU  63           1HB      GLU  63 -15.711  -7.880 -10.474
  490    HB3  GLU  63           2HB      GLU  63 -16.990  -8.444 -11.555
  491    HG2  GLU  63           1HG      GLU  63 -18.548  -8.683  -9.666
  492    HG3  GLU  63           2HG      GLU  63 -17.303  -8.148  -8.541
  493    H    LYS  64           H        LYS  64 -17.184 -10.944 -12.247
  494    HA   LYS  64           HA       LYS  64 -14.701 -11.567 -13.805
  495    HB2  LYS  64           1HB      LYS  64 -15.951 -13.281 -14.972
  496    HB3  LYS  64           2HB      LYS  64 -15.776 -13.602 -13.245
  497    HG2  LYS  64           1HG      LYS  64 -18.058 -13.225 -12.786
  498    HG3  LYS  64           2HG      LYS  64 -18.305 -12.289 -14.270
  499    HD2  LYS  64           1HD      LYS  64 -19.330 -14.463 -14.530
  500    HD3  LYS  64           2HD      LYS  64 -17.961 -14.249 -15.632
  501    HE2  LYS  64           1HE      LYS  64 -16.528 -15.602 -14.094
  502    HE3  LYS  64           2HE      LYS  64 -17.928 -15.858 -13.045
  503    HZ1  LYS  64           3HZ      LYS  64 -17.731 -16.740 -15.889
  504    HZ2  LYS  64           1HZ      LYS  64 -19.022 -16.991 -14.912
  505    HZ3  LYS  64           2HZ      LYS  64 -17.599 -17.717 -14.585
  506    H    PHE  65           H        PHE  65 -14.799 -11.415 -16.075
  507    HA   PHE  65           HA       PHE  65 -16.452  -9.144 -17.093
  508    HB2  PHE  65           1HB      PHE  65 -13.861 -10.226 -18.233
  509    HB3  PHE  65           2HB      PHE  65 -14.678  -8.720 -18.641
  510    HD1  PHE  65           2HD      PHE  65 -14.843  -6.884 -16.828
  511    HD2  PHE  65           1HD      PHE  65 -12.257 -10.313 -16.481
  512    HE1  PHE  65           2HE      PHE  65 -13.521  -5.714 -15.078
  513    HE2  PHE  65           1HE      PHE  65 -10.927  -9.135 -14.737
  514    HZ   PHE  65           HZ       PHE  65 -11.554  -6.831 -14.044
  515    H    ALA  66           H        ALA  66 -17.342  -9.332 -19.263
  516    HA   ALA  66           HA       ALA  66 -17.725 -12.134 -20.225
  517    HB1  ALA  66           1HB      ALA  66 -19.908 -10.066 -19.750
  518    HB2  ALA  66           2HB      ALA  66 -20.124 -11.705 -20.402
  519    HB3  ALA  66           3HB      ALA  66 -19.586 -11.481 -18.725
  520    H    CYS  67           H        CYS  67 -18.009 -12.463 -22.358
  521    HA   CYS  67           HA       CYS  67 -17.035 -10.531 -24.236
  522    HB2  CYS  67           1HB      CYS  67 -16.717 -12.964 -24.336
  523    HB3  CYS  67           2HB      CYS  67 -18.448 -13.197 -24.617
  524    H    ASP  68           H        ASP  68 -18.047  -9.451 -25.862
  525    HA   ASP  68           HA       ASP  68 -20.876  -8.685 -25.425
  526    HB2  ASP  68           1HB      ASP  68 -19.025  -6.997 -25.679
  527    HB3  ASP  68           2HB      ASP  68 -18.832  -7.527 -27.348
  528    H    TYR  69           H        TYR  69 -19.197 -10.940 -27.286
  529    HA   TYR  69           HA       TYR  69 -21.174 -10.897 -29.543
  530    HB2  TYR  69           1HB      TYR  69 -18.288 -11.778 -29.512
  531    HB3  TYR  69           2HB      TYR  69 -19.341 -11.746 -30.918
  532    HD1  TYR  69           1HD      TYR  69 -20.118  -9.518 -31.839
  533    HD2  TYR  69           2HD      TYR  69 -17.116  -9.837 -28.755
  534    HE1  TYR  69           1HE      TYR  69 -19.375  -7.194 -32.323
  535    HE2  TYR  69           2HE      TYR  69 -16.375  -7.503 -29.242
  536    HH   TYR  69           HH       TYR  69 -17.918  -5.507 -31.787
  537    H    CYS  70           H        CYS  70 -19.888 -12.915 -27.005
  538    HA   CYS  70           HA       CYS  70 -21.699 -15.069 -27.797
  539    HB2  CYS  70           1HB      CYS  70 -20.114 -16.845 -27.758
  540    HB3  CYS  70           2HB      CYS  70 -19.604 -15.660 -28.943
  541    H    SER  71           H        SER  71 -21.072 -16.973 -25.964
  542    HA   SER  71           HA       SER  71 -22.004 -15.781 -23.456
  543    HB2  SER  71           1HB      SER  71 -22.358 -18.143 -22.795
  544    HB3  SER  71           2HB      SER  71 -23.154 -17.712 -24.315
  545    HG   SER  71           HG       SER  71 -22.042 -19.727 -24.449
  546    H    PHE  72           H        PHE  72 -18.910 -16.162 -24.585
  547    HA   PHE  72           HA       PHE  72 -17.540 -17.494 -22.489
  548    HB2  PHE  72           1HB      PHE  72 -16.576 -17.047 -24.680
  549    HB3  PHE  72           2HB      PHE  72 -16.665 -15.316 -24.403
  550    HD1  PHE  72           1HD      PHE  72 -15.028 -18.435 -23.086
  551    HD2  PHE  72           2HD      PHE  72 -14.850 -14.146 -23.473
  552    HE1  PHE  72           1HE      PHE  72 -12.726 -18.440 -22.145
  553    HE2  PHE  72           2HE      PHE  72 -12.542 -14.156 -22.559
  554    HZ   PHE  72           HZ       PHE  72 -11.485 -16.299 -21.874
  555    H    THR  73           H        THR  73 -16.475 -16.860 -20.659
  556    HA   THR  73           HA       THR  73 -16.487 -14.030 -19.837
  557    HB   THR  73           HB       THR  73 -17.005 -14.522 -17.528
  558    HG1  THR  73           1HG      THR  73 -17.718 -17.101 -18.453
  559   HG21  THR  73          3HG2      THR  73 -19.403 -14.838 -17.657
  560   HG22  THR  73          1HG2      THR  73 -19.273 -15.493 -19.305
  561   HG23  THR  73          2HG2      THR  73 -18.859 -13.798 -18.980
  562    H    CYS  74           H        CYS  74 -14.917 -13.475 -18.256
  563    HA   CYS  74           HA       CYS  74 -12.612 -15.336 -17.964
  564    HB2  CYS  74           1HB      CYS  74 -12.525 -14.060 -20.169
  565    HB3  CYS  74           2HB      CYS  74 -12.417 -12.567 -19.224
  566    HG   CYS  74           HG       CYS  74 -10.040 -12.850 -19.782
  567    H    LEU  75           H        LEU  75 -10.998 -14.589 -16.465
  568    HA   LEU  75           HA       LEU  75 -11.951 -12.620 -14.434
  569    HB2  LEU  75           1HB      LEU  75  -9.765 -14.705 -14.170
  570    HB3  LEU  75           2HB      LEU  75 -10.407 -13.667 -12.898
  571    HG   LEU  75           HG       LEU  75 -11.890 -15.919 -14.311
  572   HD11  LEU  75          1HD1      LEU  75 -10.221 -16.616 -12.630
  573   HD12  LEU  75          2HD1      LEU  75 -11.875 -16.961 -12.096
  574   HD13  LEU  75          3HD1      LEU  75 -10.998 -15.568 -11.420
  575   HD21  LEU  75          3HD2      LEU  75 -13.715 -15.497 -12.671
  576   HD22  LEU  75          1HD2      LEU  75 -13.516 -14.163 -13.808
  577   HD23  LEU  75          2HD2      LEU  75 -12.888 -14.010 -12.151
  578    H    SER  76           H        SER  76 -10.284 -12.350 -17.148
  579    HA   SER  76           HA       SER  76  -8.861  -9.953 -16.144
  580    HB2  SER  76           1HB      SER  76  -7.040 -11.490 -16.345
  581    HB3  SER  76           2HB      SER  76  -7.617 -12.081 -17.915
  582    HG   SER  76           HG       SER  76  -5.864 -10.428 -17.899
  583    H    LYS  77           H        LYS  77  -9.562  -8.243 -17.234
  584    HA   LYS  77           HA       LYS  77 -11.074  -8.463 -19.690
  585    HB2  LYS  77           1HB      LYS  77 -11.105  -5.978 -19.645
  586    HB3  LYS  77           2HB      LYS  77 -11.776  -6.807 -18.260
  587    HG2  LYS  77           1HG      LYS  77 -10.670  -4.900 -17.460
  588    HG3  LYS  77           2HG      LYS  77  -9.735  -6.288 -16.928
  589    HD2  LYS  77           1HD      LYS  77  -8.022  -5.832 -18.630
  590    HD3  LYS  77           2HD      LYS  77  -9.032  -4.549 -19.340
  591    HE2  LYS  77           1HE      LYS  77  -8.917  -3.303 -17.188
  592    HE3  LYS  77           2HE      LYS  77  -7.912  -4.583 -16.498
  593    HZ1  LYS  77           3HZ      LYS  77  -6.223  -4.070 -18.185
  594    HZ2  LYS  77           1HZ      LYS  77  -6.564  -2.736 -17.314
  595    HZ3  LYS  77           2HZ      LYS  77  -7.157  -2.889 -18.823
  596    H    GLY  78           H        GLY  78  -7.694  -8.279 -19.130
  597    HA2  GLY  78           1HA      GLY  78  -6.913  -7.295 -21.775
  598    HA3  GLY  78           2HA      GLY  78  -5.894  -8.128 -20.590
  599    H    HIS  79           H        HIS  79  -7.156 -10.545 -20.210
  600    HA   HIS  79           HA       HIS  79  -6.599 -11.992 -22.649
  601    HB2  HIS  79           1HB      HIS  79  -6.267 -12.872 -20.350
  602    HB3  HIS  79           2HB      HIS  79  -8.011 -12.932 -20.134
  603    HD1  HIS  79           1HD      HIS  79  -5.156 -14.804 -21.819
  604    HD2  HIS  79           2HD      HIS  79  -9.359 -14.850 -21.616
  605    HE1  HIS  79           1HE      HIS  79  -5.897 -17.025 -22.826
  606    H    LEU  80           H        LEU  80  -9.653 -10.808 -21.181
  607    HA   LEU  80           HA       LEU  80 -11.406 -12.012 -23.084
  608    HB2  LEU  80           1HB      LEU  80 -12.152 -10.970 -20.976
  609    HB3  LEU  80           2HB      LEU  80 -11.647  -9.388 -21.577
  610    HG   LEU  80           HG       LEU  80 -13.341  -9.468 -23.358
  611   HD11  LEU  80          1HD1      LEU  80 -13.539 -11.890 -23.747
  612   HD12  LEU  80          2HD1      LEU  80 -15.100 -11.216 -23.308
  613   HD13  LEU  80          3HD1      LEU  80 -14.170 -12.120 -22.094
  614   HD21  LEU  80          3HD2      LEU  80 -14.543 -10.133 -20.653
  615   HD22  LEU  80          1HD2      LEU  80 -15.276  -9.175 -21.960
  616   HD23  LEU  80          2HD2      LEU  80 -13.865  -8.545 -21.100
  617    H    LYS  81           H        LYS  81  -9.601  -8.879 -23.255
  618    HA   LYS  81           HA       LYS  81 -10.611  -8.115 -25.827
  619    HB2  LYS  81           1HB      LYS  81  -9.370  -6.637 -24.250
  620    HB3  LYS  81           2HB      LYS  81  -7.872  -7.499 -24.639
  621    HG2  LYS  81           1HG      LYS  81  -8.110  -6.854 -27.022
  622    HG3  LYS  81           2HG      LYS  81  -9.618  -6.009 -26.655
  623    HD2  LYS  81           1HD      LYS  81  -6.877  -5.310 -25.505
  624    HD3  LYS  81           2HD      LYS  81  -7.641  -4.511 -26.886
  625    HE2  LYS  81           1HE      LYS  81  -9.560  -3.849 -25.428
  626    HE3  LYS  81           2HE      LYS  81  -8.741  -4.576 -24.040
  627    HZ1  LYS  81           3HZ      LYS  81  -6.913  -2.991 -24.379
  628    HZ2  LYS  81           1HZ      LYS  81  -8.318  -2.190 -24.162
  629    HZ3  LYS  81           2HZ      LYS  81  -7.679  -2.318 -25.657
  630    H    VAL  82           H        VAL  82  -7.796 -10.165 -24.969
  631    HA   VAL  82           HA       VAL  82  -7.020 -10.733 -27.675
  632    HB   VAL  82           HB       VAL  82  -6.613 -12.362 -25.139
  633   HG11  VAL  82          1HG1      VAL  82  -4.760 -13.463 -26.397
  634   HG12  VAL  82          2HG1      VAL  82  -6.348 -13.876 -27.041
  635   HG13  VAL  82          3HG1      VAL  82  -5.336 -12.679 -27.888
  636   HG21  VAL  82          3HG2      VAL  82  -4.745 -10.518 -26.700
  637   HG22  VAL  82          1HG2      VAL  82  -5.514 -10.120 -25.153
  638   HG23  VAL  82          2HG2      VAL  82  -4.335 -11.430 -25.231
  639    H    HIS  83           H        HIS  83  -9.382 -12.471 -25.553
  640    HA   HIS  83           HA       HIS  83 -10.148 -14.454 -27.450
  641    HB2  HIS  83           1HB      HIS  83 -10.937 -14.678 -25.224
  642    HB3  HIS  83           2HB      HIS  83 -11.627 -13.067 -25.197
  643    HD1  HIS  83           1HD      HIS  83 -12.481 -16.579 -26.409
  644    HD2  HIS  83           2HD      HIS  83 -14.040 -12.682 -26.306
  645    HE1  HIS  83           1HE      HIS  83 -14.912 -16.790 -27.100
  646    H    ILE  84           H        ILE  84 -11.433 -11.095 -27.054
  647    HA   ILE  84           HA       ILE  84 -13.288 -11.308 -29.225
  648    HB   ILE  84           HB       ILE  84 -12.005  -8.883 -27.935
  649   HG12  ILE  84          1HG1      ILE  84 -14.839 -10.014 -27.693
  650   HG13  ILE  84          2HG1      ILE  84 -13.556 -10.393 -26.562
  651   HG21  ILE  84          1HG2      ILE  84 -13.799  -7.550 -29.042
  652   HG22  ILE  84          2HG2      ILE  84 -12.722  -8.265 -30.223
  653   HG23  ILE  84          3HG2      ILE  84 -14.317  -8.997 -29.935
  654   HD11  ILE  84          3HD1      ILE  84 -14.754  -7.643 -27.012
  655   HD12  ILE  84          1HD1      ILE  84 -14.905  -8.683 -25.591
  656   HD13  ILE  84          2HD1      ILE  84 -13.330  -7.975 -25.994
  657    H    GLU  85           H        GLU  85  -9.893 -10.100 -29.232
  658    HA   GLU  85           HA       GLU  85  -9.901  -9.497 -32.023
  659    HB2  GLU  85           1HB      GLU  85  -7.587 -10.142 -30.155
  660    HB3  GLU  85           2HB      GLU  85  -7.408  -9.618 -31.833
  661    HG2  GLU  85           1HG      GLU  85  -8.877  -7.591 -31.196
  662    HG3  GLU  85           2HG      GLU  85  -8.550  -8.014 -29.526
  663    H    ARG  86           H        ARG  86  -9.151 -12.576 -30.376
  664    HA   ARG  86           HA       ARG  86  -8.241 -13.845 -32.873
  665    HB2  ARG  86           1HB      ARG  86  -8.678 -14.887 -30.049
  666    HB3  ARG  86           2HB      ARG  86  -8.150 -15.899 -31.399
  667    HG2  ARG  86           1HG      ARG  86  -6.186 -14.424 -31.760
  668    HG3  ARG  86           2HG      ARG  86  -6.654 -13.455 -30.352
  669    HD2  ARG  86           1HD      ARG  86  -6.470 -15.453 -28.910
  670    HD3  ARG  86           2HD      ARG  86  -6.035 -16.444 -30.300
  671    HE   ARG  86           HE       ARG  86  -4.329 -14.565 -28.834
  672   HH11  ARG  86          2HH1      ARG  86  -4.576 -16.333 -31.857
  673   HH12  ARG  86          1HH1      ARG  86  -2.869 -16.192 -32.175
  674   HH21  ARG  86          1HH2      ARG  86  -2.169 -14.425 -29.314
  675   HH22  ARG  86          2HH2      ARG  86  -1.552 -15.144 -30.770
  676    H    VAL  87           H        VAL  87 -11.234 -13.982 -30.956
  677    HA   VAL  87           HA       VAL  87 -12.253 -16.175 -32.672
  678    HB   VAL  87           HB       VAL  87 -13.441 -14.981 -30.146
  679   HG11  VAL  87          1HG1      VAL  87 -14.092 -17.552 -31.648
  680   HG12  VAL  87          2HG1      VAL  87 -14.729 -17.098 -30.053
  681   HG13  VAL  87          3HG1      VAL  87 -15.154 -16.138 -31.468
  682   HG21  VAL  87          3HG2      VAL  87 -11.753 -17.492 -30.590
  683   HG22  VAL  87          1HG2      VAL  87 -11.269 -16.059 -29.660
  684   HG23  VAL  87          2HG2      VAL  87 -12.585 -17.077 -29.078
  685    H    HIS  88           H        HIS  88 -13.062 -12.767 -31.976
  686    HA   HIS  88           HA       HIS  88 -15.403 -12.998 -33.829
  687    HB2  HIS  88           1HB      HIS  88 -14.892 -11.002 -31.610
  688    HB3  HIS  88           2HB      HIS  88 -16.343 -11.124 -32.605
  689    HD1  HIS  88           1HD      HIS  88 -17.469 -13.842 -32.401
  690    HD2  HIS  88           2HD      HIS  88 -15.124 -12.212 -29.326
  691    HE1  HIS  88           1HE      HIS  88 -18.009 -15.198 -30.324
  692    H    LYS  89           H        LYS  89 -12.524 -11.007 -33.189
  693    HA   LYS  89           HA       LYS  89 -12.874  -9.539 -35.753
  694    HB2  LYS  89           1HB      LYS  89 -11.941  -8.712 -33.331
  695    HB3  LYS  89           2HB      LYS  89 -10.425  -9.247 -34.071
  696    HG2  LYS  89           1HG      LYS  89 -10.882  -7.721 -36.017
  697    HG3  LYS  89           2HG      LYS  89 -12.402  -7.256 -35.244
  698    HD2  LYS  89           1HD      LYS  89 -10.763  -5.542 -34.844
  699    HD3  LYS  89           2HD      LYS  89 -11.158  -6.349 -33.316
  700    HE2  LYS  89           1HE      LYS  89  -9.082  -7.667 -33.443
  701    HE3  LYS  89           2HE      LYS  89  -8.695  -6.977 -35.022
  702    HZ1  LYS  89           3HZ      LYS  89  -9.033  -5.274 -32.618
  703    HZ2  LYS  89           1HZ      LYS  89  -8.300  -4.875 -34.025
  704    HZ3  LYS  89           2HZ      LYS  89  -7.596  -5.941 -32.979
  705    H    LYS  90           H        LYS  90 -10.438  -9.278 -36.720
  706    HA   LYS  90           HA       LYS  90  -9.123 -11.927 -37.064
  707    HB2  LYS  90           1HB      LYS  90 -10.518 -11.416 -39.051
  708    HB3  LYS  90           2HB      LYS  90  -9.645  -9.894 -39.274
  709    HG2  LYS  90           1HG      LYS  90  -7.574 -11.089 -39.764
  710    HG3  LYS  90           2HG      LYS  90  -8.293 -12.628 -39.269
  711    HD2  LYS  90           1HD      LYS  90  -8.173 -12.519 -41.684
  712    HD3  LYS  90           2HD      LYS  90  -9.865 -12.532 -41.168
  713    HE2  LYS  90           1HE      LYS  90  -9.972 -10.061 -41.482
  714    HE3  LYS  90           2HE      LYS  90  -8.273 -10.052 -41.977
  715    HZ1  LYS  90           3HZ      LYS  90 -10.462 -11.472 -43.408
  716    HZ2  LYS  90           1HZ      LYS  90  -8.895 -11.463 -43.871
  717    HZ3  LYS  90           2HZ      LYS  90  -9.765 -10.083 -43.899
  718    H    ILE  91           H        ILE  91  -6.880 -11.843 -37.314
  719    HA   ILE  91           HA       ILE  91  -5.559  -9.307 -36.424
  720    HB   ILE  91           HB       ILE  91  -4.758 -12.181 -35.849
  721   HG12  ILE  91          1HG1      ILE  91  -5.876  -9.995 -34.026
  722   HG13  ILE  91          2HG1      ILE  91  -6.732 -11.443 -34.553
  723   HG21  ILE  91          1HG2      ILE  91  -3.470  -9.563 -34.933
  724   HG22  ILE  91          2HG2      ILE  91  -2.978 -11.197 -34.438
  725   HG23  ILE  91          3HG2      ILE  91  -2.772 -10.710 -36.104
  726   HD11  ILE  91          3HD1      ILE  91  -5.033 -12.853 -33.365
  727   HD12  ILE  91          1HD1      ILE  91  -4.364 -11.357 -32.664
  728   HD13  ILE  91          2HD1      ILE  91  -6.033 -11.823 -32.320
  729    H    LYS  92           H        LYS  92  -3.848  -8.554 -37.530
  730    HA   LYS  92           HA       LYS  92  -2.796 -10.006 -39.918
  731    HB2  LYS  92           1HB      LYS  92  -3.819  -7.136 -39.815
  732    HB3  LYS  92           2HB      LYS  92  -2.820  -7.800 -41.112
  733    HG2  LYS  92           1HG      LYS  92  -4.565  -9.475 -41.641
  734    HG3  LYS  92           2HG      LYS  92  -5.564  -8.878 -40.316
  735    HD2  LYS  92           1HD      LYS  92  -6.384  -7.986 -42.426
  736    HD3  LYS  92           2HD      LYS  92  -5.802  -6.700 -41.377
  737    HE2  LYS  92           1HE      LYS  92  -5.124  -6.207 -43.626
  738    HE3  LYS  92           2HE      LYS  92  -3.686  -6.575 -42.679
  739    HZ1  LYS  92           3HZ      LYS  92  -3.692  -8.809 -43.678
  740    HZ2  LYS  92           1HZ      LYS  92  -3.651  -7.675 -44.847
  741    HZ3  LYS  92           2HZ      LYS  92  -5.042  -8.464 -44.537
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1 -19.174  25.844 -17.407
    2    H2   GLY   1           2H       GLY   1 -20.683  25.681 -16.795
    3    H3   GLY   1           3H       GLY   1 -19.654  24.407 -16.783
    4    HA2  GLY   1           1HA      GLY   1 -19.824  25.347 -14.575
    5    HA3  GLY   1           2HA      GLY   1 -18.185  25.499 -15.233
    6    H    SER   2           H        SER   2 -19.577  27.120 -13.181
    7    HA   SER   2           HA       SER   2 -18.990  29.809 -14.252
    8    HB2  SER   2           1HB      SER   2 -21.115  30.730 -13.383
    9    HB3  SER   2           2HB      SER   2 -21.361  29.595 -14.716
   10    HG   SER   2           HG       SER   2 -22.824  29.228 -12.982
   11    H    SER   3           H        SER   3 -18.913  31.458 -12.569
   12    HA   SER   3           HA       SER   3 -17.965  32.297 -10.703
   13    HB2  SER   3           1HB      SER   3 -19.798  30.316  -9.328
   14    HB3  SER   3           2HB      SER   3 -19.099  31.779  -8.607
   15    HG   SER   3           HG       SER   3 -21.231  32.129  -9.392
   16    H    GLY   4           H        GLY   4 -16.330  30.192 -11.821
   17    HA2  GLY   4           1HA      GLY   4 -14.287  30.008  -9.857
   18    HA3  GLY   4           2HA      GLY   4 -15.170  28.480  -9.874
   19    H    SER   5           H        SER   5 -12.723  28.076 -10.442
   20    HA   SER   5           HA       SER   5 -12.556  27.521 -13.345
   21    HB2  SER   5           1HB      SER   5 -10.244  28.356 -13.462
   22    HB3  SER   5           2HB      SER   5 -11.401  29.648 -13.107
   23    HG   SER   5           HG       SER   5  -9.539  29.769 -11.769
   24    H    SER   6           H        SER   6 -10.866  25.965 -13.897
   25    HA   SER   6           HA       SER   6 -10.999  23.671 -12.221
   26    HB2  SER   6           1HB      SER   6  -9.183  24.181 -14.605
   27    HB3  SER   6           2HB      SER   6  -9.583  22.601 -13.904
   28    HG   SER   6           HG       SER   6 -10.898  23.111 -15.729
   29    H    GLY   7           H        GLY   7  -9.549  22.600 -10.961
   30    HA2  GLY   7           1HA      GLY   7  -7.234  23.996  -9.830
   31    HA3  GLY   7           2HA      GLY   7  -7.825  22.394  -9.408
   32    H    LYS   8           H        LYS   8  -5.253  22.487  -9.435
   33    HA   LYS   8           HA       LYS   8  -3.995  21.893 -12.003
   34    HB2  LYS   8           1HB      LYS   8  -2.828  22.988 -10.107
   35    HB3  LYS   8           2HB      LYS   8  -2.957  21.500  -9.161
   36    HG2  LYS   8           1HG      LYS   8  -1.541  20.302 -10.740
   37    HG3  LYS   8           2HG      LYS   8  -1.530  21.671 -11.858
   38    HD2  LYS   8           1HD      LYS   8  -0.374  21.742  -9.035
   39    HD3  LYS   8           2HD      LYS   8   0.561  21.387 -10.496
   40    HE2  LYS   8           1HE      LYS   8  -0.078  23.604 -11.442
   41    HE3  LYS   8           2HE      LYS   8  -0.958  23.979  -9.955
   42    HZ1  LYS   8           3HZ      LYS   8   1.148  23.801  -8.739
   43    HZ2  LYS   8           1HZ      LYS   8   1.276  24.920  -9.917
   44    HZ3  LYS   8           2HZ      LYS   8   1.963  23.456 -10.115
   45    H    ILE   9           H        ILE   9  -3.166  19.952 -12.715
   46    HA   ILE   9           HA       ILE   9  -4.437  17.449 -11.689
   47    HB   ILE   9           HB       ILE   9  -4.307  18.394 -14.581
   48   HG12  ILE   9          1HG1      ILE   9  -6.710  18.005 -12.730
   49   HG13  ILE   9          2HG1      ILE   9  -6.059  19.558 -13.246
   50   HG21  ILE   9          1HG2      ILE   9  -3.996  15.967 -14.450
   51   HG22  ILE   9          2HG2      ILE   9  -5.427  15.822 -13.395
   52   HG23  ILE   9          3HG2      ILE   9  -5.578  16.327 -15.094
   53   HD11  ILE   9          3HD1      ILE   9  -6.574  18.979 -15.620
   54   HD12  ILE   9          1HD1      ILE   9  -7.451  17.544 -15.022
   55   HD13  ILE   9          2HD1      ILE   9  -7.981  19.165 -14.554
   56    H    PHE  10           H        PHE  10  -3.242  15.587 -11.903
   57    HA   PHE  10           HA       PHE  10  -0.368  15.883 -12.696
   58    HB2  PHE  10           1HB      PHE  10  -1.544  14.376 -10.329
   59    HB3  PHE  10           2HB      PHE  10   0.157  14.490 -10.752
   60    HD1  PHE  10           1HD      PHE  10  -2.740  16.319  -9.359
   61    HD2  PHE  10           2HD      PHE  10   1.448  16.547 -10.351
   62    HE1  PHE  10           1HE      PHE  10  -2.539  18.396  -8.009
   63    HE2  PHE  10           2HE      PHE  10   1.649  18.627  -9.013
   64    HZ   PHE  10           HZ       PHE  10  -0.330  19.536  -7.811
   65    H    THR  11           H        THR  11   0.523  14.211 -13.902
   66    HA   THR  11           HA       THR  11  -1.278  11.937 -14.628
   67    HB   THR  11           HB       THR  11   0.358  13.632 -16.539
   68    HG1  THR  11           1HG      THR  11  -1.620  14.469 -17.161
   69   HG21  THR  11          3HG2      THR  11  -1.035  12.520 -18.270
   70   HG22  THR  11          1HG2      THR  11  -1.766  11.498 -17.012
   71   HG23  THR  11          2HG2      THR  11  -0.031  11.359 -17.390
   72    H    CYS  12           H        CYS  12  -0.389   9.988 -14.889
   73    HA   CYS  12           HA       CYS  12   2.334   9.444 -14.080
   74    HB2  CYS  12           1HB      CYS  12   0.463   8.001 -13.537
   75    HB3  CYS  12           2HB      CYS  12   0.130   7.724 -15.262
   76    H    GLU  13           H        GLU  13   4.104   9.070 -15.254
   77    HA   GLU  13           HA       GLU  13   4.053   9.579 -18.161
   78    HB2  GLU  13           1HB      GLU  13   6.426   9.774 -18.030
   79    HB3  GLU  13           2HB      GLU  13   5.695  10.722 -16.739
   80    HG2  GLU  13           1HG      GLU  13   6.216   8.881 -15.120
   81    HG3  GLU  13           2HG      GLU  13   6.989   7.977 -16.426
   82    H    TYR  14           H        TYR  14   3.768   6.814 -16.252
   83    HA   TYR  14           HA       TYR  14   5.137   5.036 -18.231
   84    HB2  TYR  14           1HB      TYR  14   4.182   4.518 -15.414
   85    HB3  TYR  14           2HB      TYR  14   4.994   3.352 -16.441
   86    HD1  TYR  14           2HD      TYR  14   7.395   3.773 -17.159
   87    HD2  TYR  14           1HD      TYR  14   5.420   6.093 -14.104
   88    HE1  TYR  14           2HE      TYR  14   9.610   4.498 -16.281
   89    HE2  TYR  14           1HE      TYR  14   7.644   6.808 -13.218
   90    HH   TYR  14           HH       TYR  14  10.721   5.728 -14.699
   91    H    CYS  15           H        CYS  15   1.931   5.642 -16.801
   92    HA   CYS  15           HA       CYS  15   0.769   3.811 -18.830
   93    HB2  CYS  15           1HB      CYS  15  -0.735   2.816 -17.293
   94    HB3  CYS  15           2HB      CYS  15   0.923   2.563 -16.757
   95    H    ASN  16           H        ASN  16   0.877   6.913 -18.076
   96    HA   ASN  16           HA       ASN  16  -0.321   8.737 -18.522
   97    HB2  ASN  16           1HB      ASN  16  -0.143   7.546 -20.728
   98    HB3  ASN  16           2HB      ASN  16  -1.811   7.011 -20.514
   99   HD21  ASN  16          1HD2      ASN  16   0.148  10.062 -20.410
  100   HD22  ASN  16          2HD2      ASN  16  -1.075  11.006 -21.246
  101    H    LYS  17           H        LYS  17  -1.615   6.800 -16.471
  102    HA   LYS  17           HA       LYS  17  -4.374   7.611 -16.255
  103    HB2  LYS  17           1HB      LYS  17  -2.301   6.668 -14.247
  104    HB3  LYS  17           2HB      LYS  17  -3.967   7.068 -13.779
  105    HG2  LYS  17           1HG      LYS  17  -4.859   5.345 -15.273
  106    HG3  LYS  17           2HG      LYS  17  -3.220   4.999 -15.864
  107    HD2  LYS  17           1HD      LYS  17  -2.569   4.500 -13.444
  108    HD3  LYS  17           2HD      LYS  17  -4.267   4.660 -13.009
  109    HE2  LYS  17           1HE      LYS  17  -3.570   2.339 -13.230
  110    HE3  LYS  17           2HE      LYS  17  -4.854   2.737 -14.379
  111    HZ1  LYS  17           3HZ      LYS  17  -2.909   1.429 -15.318
  112    HZ2  LYS  17           1HZ      LYS  17  -1.982   2.786 -15.160
  113    HZ3  LYS  17           2HZ      LYS  17  -3.271   2.790 -16.145
  114    H    VAL  18           H        VAL  18  -5.316   9.096 -14.951
  115    HA   VAL  18           HA       VAL  18  -3.733  11.582 -14.405
  116    HB   VAL  18           HB       VAL  18  -6.616  11.371 -15.344
  117   HG11  VAL  18          1HG1      VAL  18  -6.261  13.377 -13.958
  118   HG12  VAL  18          2HG1      VAL  18  -4.788  13.763 -14.883
  119   HG13  VAL  18          3HG1      VAL  18  -6.387  13.840 -15.654
  120   HG21  VAL  18          3HG2      VAL  18  -5.764  12.410 -17.433
  121   HG22  VAL  18          1HG2      VAL  18  -4.102  12.280 -16.820
  122   HG23  VAL  18          2HG2      VAL  18  -5.048  10.820 -17.180
  123    H    PHE  19           H        PHE  19  -3.917  12.565 -12.516
  124    HA   PHE  19           HA       PHE  19  -5.769  11.535 -10.419
  125    HB2  PHE  19           1HB      PHE  19  -2.792  12.108 -10.131
  126    HB3  PHE  19           2HB      PHE  19  -3.877  11.586  -8.851
  127    HD1  PHE  19           2HD      PHE  19  -4.734   9.247  -8.776
  128    HD2  PHE  19           1HD      PHE  19  -1.968  10.534 -11.820
  129    HE1  PHE  19           2HE      PHE  19  -4.362   6.882  -9.440
  130    HE2  PHE  19           1HE      PHE  19  -1.584   8.169 -12.468
  131    HZ   PHE  19           HZ       PHE  19  -2.823   6.335 -11.318
  132    H    LYS  20           H        LYS  20  -6.452  13.008  -8.896
  133    HA   LYS  20           HA       LYS  20  -6.478  15.809  -9.721
  134    HB2  LYS  20           1HB      LYS  20  -7.646  14.440  -7.269
  135    HB3  LYS  20           2HB      LYS  20  -7.998  16.091  -7.791
  136    HG2  LYS  20           1HG      LYS  20  -8.891  15.177  -9.961
  137    HG3  LYS  20           2HG      LYS  20  -8.689  13.543  -9.319
  138    HD2  LYS  20           1HD      LYS  20 -10.498  15.723  -8.198
  139    HD3  LYS  20           2HD      LYS  20 -11.001  14.271  -9.079
  140    HE2  LYS  20           1HE      LYS  20  -9.994  12.866  -7.245
  141    HE3  LYS  20           2HE      LYS  20  -9.620  14.350  -6.359
  142    HZ1  LYS  20           3HZ      LYS  20 -12.063  14.819  -6.378
  143    HZ2  LYS  20           1HZ      LYS  20 -11.658  13.446  -5.565
  144    HZ3  LYS  20           2HZ      LYS  20 -12.326  13.318  -7.021
  145    H    PHE  21           H        PHE  21  -4.474  14.042  -7.546
  146    HA   PHE  21           HA       PHE  21  -3.418  16.555  -6.332
  147    HB2  PHE  21           1HB      PHE  21  -3.868  13.997  -4.781
  148    HB3  PHE  21           2HB      PHE  21  -3.439  15.581  -4.162
  149    HD1  PHE  21           2HD      PHE  21  -5.256  17.514  -4.701
  150    HD2  PHE  21           1HD      PHE  21  -6.083  13.283  -4.549
  151    HE1  PHE  21           2HE      PHE  21  -7.661  17.994  -4.301
  152    HE2  PHE  21           1HE      PHE  21  -8.481  13.766  -4.134
  153    HZ   PHE  21           HZ       PHE  21  -9.277  16.124  -4.017
  154    H    LYS  22           H        LYS  22  -1.261  16.545  -5.705
  155    HA   LYS  22           HA       LYS  22   0.554  14.987  -7.249
  156    HB2  LYS  22           1HB      LYS  22   0.931  17.290  -6.326
  157    HB3  LYS  22           2HB      LYS  22   1.135  16.590  -4.716
  158    HG2  LYS  22           1HG      LYS  22   3.063  15.251  -5.552
  159    HG3  LYS  22           2HG      LYS  22   2.856  15.947  -7.164
  160    HD2  LYS  22           1HD      LYS  22   3.466  17.547  -4.637
  161    HD3  LYS  22           2HD      LYS  22   4.684  16.979  -5.788
  162    HE2  LYS  22           1HE      LYS  22   3.589  18.287  -7.597
  163    HE3  LYS  22           2HE      LYS  22   2.399  18.893  -6.435
  164    HZ1  LYS  22           3HZ      LYS  22   4.224  20.470  -6.735
  165    HZ2  LYS  22           1HZ      LYS  22   5.331  19.364  -6.273
  166    HZ3  LYS  22           2HZ      LYS  22   4.234  19.922  -5.198
  167    H    HIS  23           H        HIS  23  -0.397  14.631  -3.816
  168    HA   HIS  23           HA       HIS  23   1.394  12.485  -3.234
  169    HB2  HIS  23           1HB      HIS  23   0.070  12.107  -1.258
  170    HB3  HIS  23           2HB      HIS  23   0.329  13.828  -1.500
  171    HD1  HIS  23           1HD      HIS  23  -2.511  11.223  -1.567
  172    HD2  HIS  23           2HD      HIS  23  -1.835  15.357  -1.919
  173    HE1  HIS  23           1HE      HIS  23  -4.802  12.335  -1.449
  174    H    SER  24           H        SER  24  -1.929  12.424  -4.572
  175    HA   SER  24           HA       SER  24  -2.266   9.593  -4.596
  176    HB2  SER  24           1HB      SER  24  -3.352  11.654  -6.551
  177    HB3  SER  24           2HB      SER  24  -3.946   9.996  -6.349
  178    HG   SER  24           HG       SER  24  -4.554  10.507  -4.233
  179    H    LEU  25           H        LEU  25  -0.822  11.749  -7.126
  180    HA   LEU  25           HA       LEU  25  -0.122   9.557  -8.852
  181    HB2  LEU  25           1HB      LEU  25  -0.257  11.816  -9.723
  182    HB3  LEU  25           2HB      LEU  25   1.017  12.363  -8.627
  183    HG   LEU  25           HG       LEU  25   2.662  10.912  -9.767
  184   HD11  LEU  25          1HD1      LEU  25   1.165   9.103 -10.599
  185   HD12  LEU  25          2HD1      LEU  25   2.135   9.807 -11.887
  186   HD13  LEU  25          3HD1      LEU  25   0.424  10.253 -11.731
  187   HD21  LEU  25          3HD2      LEU  25   2.820  12.128 -11.862
  188   HD22  LEU  25          1HD2      LEU  25   2.316  13.223 -10.561
  189   HD23  LEU  25          2HD2      LEU  25   1.121  12.619 -11.737
  190    H    GLN  26           H        GLN  26   1.791  11.262  -6.293
  191    HA   GLN  26           HA       GLN  26   4.192   9.796  -6.665
  192    HB2  GLN  26           1HB      GLN  26   2.952  11.167  -4.257
  193    HB3  GLN  26           2HB      GLN  26   4.506  10.366  -4.138
  194    HG2  GLN  26           1HG      GLN  26   3.878  12.586  -6.147
  195    HG3  GLN  26           2HG      GLN  26   4.626  12.851  -4.579
  196   HE21  GLN  26          1HE2      GLN  26   6.017  13.777  -6.723
  197   HE22  GLN  26          2HE2      GLN  26   7.391  12.729  -7.038
  198    H    ALA  27           H        ALA  27   1.368   8.938  -4.624
  199    HA   ALA  27           HA       ALA  27   2.542   6.478  -3.667
  200    HB1  ALA  27           1HB      ALA  27   0.773   7.707  -2.497
  201    HB2  ALA  27           2HB      ALA  27  -0.354   7.391  -3.842
  202    HB3  ALA  27           3HB      ALA  27   0.271   6.039  -2.866
  203    H    HIS  28           H        HIS  28   0.529   7.270  -6.531
  204    HA   HIS  28           HA       HIS  28   0.122   4.564  -7.408
  205    HB2  HIS  28           1HB      HIS  28  -1.260   6.293  -8.311
  206    HB3  HIS  28           2HB      HIS  28   0.126   7.245  -8.835
  207    HD1  HIS  28           1HD      HIS  28  -1.538   3.873  -9.741
  208    HD2  HIS  28           2HD      HIS  28   1.146   6.764 -11.197
  209    HE1  HIS  28           1HE      HIS  28  -0.962   3.155 -12.100
  210    H    LEU  29           H        LEU  29   2.729   6.926  -8.157
  211    HA   LEU  29           HA       LEU  29   4.053   5.435 -10.131
  212    HB2  LEU  29           1HB      LEU  29   5.034   7.475  -8.114
  213    HB3  LEU  29           2HB      LEU  29   6.103   6.806  -9.337
  214    HG   LEU  29           HG       LEU  29   3.516   8.255 -10.038
  215   HD11  LEU  29          1HD1      LEU  29   4.957  10.173 -10.598
  216   HD12  LEU  29          2HD1      LEU  29   6.378   9.297  -9.985
  217   HD13  LEU  29          3HD1      LEU  29   5.073   9.775  -8.877
  218   HD21  LEU  29          3HD2      LEU  29   4.584   8.491 -12.259
  219   HD22  LEU  29          1HD2      LEU  29   4.280   6.810 -11.846
  220   HD23  LEU  29          2HD2      LEU  29   5.928   7.468 -11.707
  221    H    ARG  30           H        ARG  30   4.031   4.732  -6.735
  222    HA   ARG  30           HA       ARG  30   6.444   3.263  -6.427
  223    HB2  ARG  30           1HB      ARG  30   3.719   2.800  -5.143
  224    HB3  ARG  30           2HB      ARG  30   5.242   2.098  -4.594
  225    HG2  ARG  30           1HG      ARG  30   6.158   4.364  -4.159
  226    HG3  ARG  30           2HG      ARG  30   4.646   5.087  -4.712
  227    HD2  ARG  30           1HD      ARG  30   4.587   5.071  -2.317
  228    HD3  ARG  30           2HD      ARG  30   3.411   3.908  -2.910
  229    HE   ARG  30           HE       ARG  30   4.619   2.166  -1.961
  230   HH11  ARG  30          2HH1      ARG  30   6.663   5.014  -1.793
  231   HH12  ARG  30          1HH1      ARG  30   7.814   4.230  -0.747
  232   HH21  ARG  30          2HH2      ARG  30   6.132   1.236  -0.633
  233   HH22  ARG  30          1HH2      ARG  30   7.514   2.152  -0.113
  234    H    ILE  31           H        ILE  31   3.526   2.271  -8.178
  235    HA   ILE  31           HA       ILE  31   4.245  -0.541  -8.242
  236    HB   ILE  31           HB       ILE  31   2.519  -0.887  -9.726
  237   HG12  ILE  31          1HG1      ILE  31   2.467   2.082 -10.356
  238   HG13  ILE  31          2HG1      ILE  31   2.885   0.752 -11.430
  239   HG21  ILE  31          1HG2      ILE  31   1.962  -0.291  -7.348
  240   HG22  ILE  31          2HG2      ILE  31   1.507   1.333  -7.915
  241   HG23  ILE  31          3HG2      ILE  31   0.631  -0.099  -8.488
  242   HD11  ILE  31          3HD1      ILE  31   0.689   1.452 -11.994
  243   HD12  ILE  31          1HD1      ILE  31   0.574  -0.131 -11.213
  244   HD13  ILE  31          2HD1      ILE  31   0.138   1.339 -10.307
  245    H    HIS  32           H        HIS  32   5.137   2.237 -10.190
  246    HA   HIS  32           HA       HIS  32   6.239   0.601 -12.380
  247    HB2  HIS  32           1HB      HIS  32   6.218   3.608 -11.946
  248    HB3  HIS  32           2HB      HIS  32   6.705   2.772 -13.416
  249    HD1  HIS  32           1HD      HIS  32   4.482   1.055 -14.357
  250    HD2  HIS  32           2HD      HIS  32   3.827   4.550 -12.131
  251    HE1  HIS  32           1HE      HIS  32   2.101   1.766 -14.876
  252    H    THR  33           H        THR  33   7.418   2.268  -9.507
  253    HA   THR  33           HA       THR  33  10.250   1.861 -10.219
  254    HB   THR  33           HB       THR  33  10.732   2.895  -8.047
  255    HG1  THR  33           1HG      THR  33   9.047   2.324  -6.781
  256   HG21  THR  33          3HG2      THR  33  10.347   4.343 -10.029
  257   HG22  THR  33          1HG2      THR  33   9.888   5.119  -8.503
  258   HG23  THR  33          2HG2      THR  33   8.631   4.482  -9.582
  259    H    ASN  34           H        ASN  34   8.109  -0.387  -9.511
  260    HA   ASN  34           HA       ASN  34   8.978  -1.745  -7.200
  261    HB2  ASN  34           1HB      ASN  34   6.862  -2.265  -8.233
  262    HB3  ASN  34           2HB      ASN  34   7.636  -2.690  -9.762
  263   HD21  ASN  34          1HD2      ASN  34   8.129  -4.841 -10.090
  264   HD22  ASN  34          2HD2      ASN  34   8.225  -6.041  -8.811
  265    H    GLU  35           H        GLU  35  10.448  -3.266  -6.727
  266    HA   GLU  35           HA       GLU  35  12.272  -4.322  -8.854
  267    HB2  GLU  35           1HB      GLU  35  14.081  -4.315  -7.272
  268    HB3  GLU  35           2HB      GLU  35  13.402  -2.698  -7.412
  269    HG2  GLU  35           1HG      GLU  35  12.159  -3.025  -5.279
  270    HG3  GLU  35           2HG      GLU  35  12.817  -4.655  -5.141
  271    H    LYS  36           H        LYS  36   9.758  -5.312  -6.967
  272    HA   LYS  36           HA       LYS  36  10.874  -7.782  -5.887
  273    HB2  LYS  36           1HB      LYS  36   8.012  -6.777  -6.025
  274    HB3  LYS  36           2HB      LYS  36   8.545  -8.240  -5.214
  275    HG2  LYS  36           1HG      LYS  36  10.038  -6.980  -3.750
  276    HG3  LYS  36           2HG      LYS  36   9.578  -5.456  -4.501
  277    HD2  LYS  36           1HD      LYS  36   7.388  -7.174  -3.315
  278    HD3  LYS  36           2HD      LYS  36   8.500  -6.358  -2.231
  279    HE2  LYS  36           1HE      LYS  36   6.613  -4.947  -2.464
  280    HE3  LYS  36           2HE      LYS  36   7.980  -4.170  -3.262
  281    HZ1  LYS  36           3HZ      LYS  36   5.892  -4.070  -4.553
  282    HZ2  LYS  36           1HZ      LYS  36   5.857  -5.701  -4.677
  283    HZ3  LYS  36           2HZ      LYS  36   7.060  -4.828  -5.401
  284    HA   PRO  37           HA       PRO  37  10.563  -9.977  -9.637
  285    HB2  PRO  37           1HB      PRO  37  11.031 -12.552  -8.849
  286    HB3  PRO  37           2HB      PRO  37  12.242 -11.245  -8.707
  287    HG2  PRO  37           1HG      PRO  37  10.361 -12.248  -6.543
  288    HG3  PRO  37           2HG      PRO  37  12.140 -12.036  -6.452
  289    HD2  PRO  37           1HD      PRO  37  10.457 -10.101  -5.562
  290    HD3  PRO  37           2HD      PRO  37  11.958  -9.683  -6.434
  291    H    TYR  38           H        TYR  38   8.393 -11.409  -7.131
  292    HA   TYR  38           HA       TYR  38   7.076 -13.053  -9.156
  293    HB2  TYR  38           1HB      TYR  38   6.366 -12.771  -6.232
  294    HB3  TYR  38           2HB      TYR  38   5.884 -14.048  -7.339
  295    HD1  TYR  38           1HD      TYR  38   8.219 -14.995  -8.691
  296    HD2  TYR  38           2HD      TYR  38   7.831 -13.586  -4.637
  297    HE1  TYR  38           1HE      TYR  38  10.192 -16.354  -8.033
  298    HE2  TYR  38           2HE      TYR  38   9.760 -15.023  -3.961
  299    HH   TYR  38           HH       TYR  38  11.593 -16.983  -6.331
  300    H    LYS  39           H        LYS  39   6.234 -11.527 -10.545
  301    HA   LYS  39           HA       LYS  39   4.272  -9.539  -9.776
  302    HB2  LYS  39           1HB      LYS  39   5.110 -10.693 -12.455
  303    HB3  LYS  39           2HB      LYS  39   3.923  -9.393 -12.279
  304    HG2  LYS  39           1HG      LYS  39   5.532  -7.912 -11.265
  305    HG3  LYS  39           2HG      LYS  39   6.742  -9.200 -11.140
  306    HD2  LYS  39           1HD      LYS  39   6.823  -9.356 -13.616
  307    HD3  LYS  39           2HD      LYS  39   5.640  -8.033 -13.733
  308    HE2  LYS  39           1HE      LYS  39   7.201  -6.532 -12.521
  309    HE3  LYS  39           2HE      LYS  39   8.370  -7.849 -12.370
  310    HZ1  LYS  39           3HZ      LYS  39   8.530  -7.898 -14.805
  311    HZ2  LYS  39           1HZ      LYS  39   8.904  -6.410 -14.254
  312    HZ3  LYS  39           2HZ      LYS  39   7.452  -6.679 -14.946
  313    H    CYS  40           H        CYS  40   2.139  -9.502  -9.899
  314    HA   CYS  40           HA       CYS  40   0.570 -11.901  -9.700
  315    HB2  CYS  40           1HB      CYS  40   0.131  -9.848  -8.496
  316    HB3  CYS  40           2HB      CYS  40  -0.133  -8.971 -10.013
  317    HA   PRO  41           HA       PRO  41  -0.226 -12.329 -14.171
  318    HB2  PRO  41           1HB      PRO  41  -2.422 -14.131 -13.181
  319    HB3  PRO  41           2HB      PRO  41  -1.183 -14.445 -14.433
  320    HG2  PRO  41           1HG      PRO  41  -0.968 -15.562 -11.970
  321    HG3  PRO  41           2HG      PRO  41   0.485 -14.880 -12.777
  322    HD2  PRO  41           1HD      PRO  41  -1.292 -13.552 -10.701
  323    HD3  PRO  41           2HD      PRO  41   0.494 -13.701 -10.734
  324    H    GLN  42           H        GLN  42  -2.357 -11.116 -11.712
  325    HA   GLN  42           HA       GLN  42  -4.511 -10.479 -13.684
  326    HB2  GLN  42           1HB      GLN  42  -4.668 -10.867 -10.682
  327    HB3  GLN  42           2HB      GLN  42  -6.011 -10.448 -11.746
  328    HG2  GLN  42           1HG      GLN  42  -5.629 -12.591 -13.006
  329    HG3  GLN  42           2HG      GLN  42  -4.375 -13.025 -11.839
  330   HE21  GLN  42          1HE2      GLN  42  -7.898 -12.502 -12.235
  331   HE22  GLN  42          2HE2      GLN  42  -8.316 -13.354 -10.754
  332    H    CYS  43           H        CYS  43  -2.311  -8.842 -11.339
  333    HA   CYS  43           HA       CYS  43  -3.280  -6.303 -12.507
  334    HB2  CYS  43           1HB      CYS  43  -3.587  -5.255 -10.355
  335    HB3  CYS  43           2HB      CYS  43  -4.631  -6.660 -10.494
  336    H    SER  44           H        SER  44  -1.866  -4.506 -11.124
  337    HA   SER  44           HA       SER  44   0.814  -4.774 -12.206
  338    HB2  SER  44           1HB      SER  44   1.055  -2.461 -11.289
  339    HB3  SER  44           2HB      SER  44  -0.344  -2.673 -12.356
  340    HG   SER  44           HG       SER  44  -0.973  -1.552 -10.486
  341    H    TYR  45           H        TYR  45  -0.435  -5.954  -9.338
  342    HA   TYR  45           HA       TYR  45   1.492  -5.269  -7.386
  343    HB2  TYR  45           1HB      TYR  45  -0.751  -6.209  -6.989
  344    HB3  TYR  45           2HB      TYR  45  -0.261  -7.734  -7.719
  345    HD1  TYR  45           2HD      TYR  45   0.255  -5.359  -4.889
  346    HD2  TYR  45           1HD      TYR  45   1.010  -9.356  -6.329
  347    HE1  TYR  45           2HE      TYR  45   1.039  -6.032  -2.623
  348    HE2  TYR  45           1HE      TYR  45   1.768 -10.030  -4.054
  349    HH   TYR  45           HH       TYR  45   2.146  -9.339  -1.853
  350    H    ALA  46           H        ALA  46   3.203  -6.376  -6.525
  351    HA   ALA  46           HA       ALA  46   4.129  -8.891  -7.653
  352    HB1  ALA  46           1HB      ALA  46   5.998  -6.484  -7.665
  353    HB2  ALA  46           2HB      ALA  46   6.410  -8.149  -8.145
  354    HB3  ALA  46           3HB      ALA  46   5.259  -7.201  -9.108
  355    H    SER  47           H        SER  47   5.301 -10.131  -6.213
  356    HA   SER  47           HA       SER  47   5.838  -8.966  -3.504
  357    HB2  SER  47           1HB      SER  47   3.927 -10.596  -3.614
  358    HB3  SER  47           2HB      SER  47   5.112 -11.852  -4.048
  359    HG   SER  47           HG       SER  47   4.503 -10.906  -1.655
  360    H    ALA  48           H        ALA  48   7.488  -9.904  -2.264
  361    HA   ALA  48           HA       ALA  48   9.847 -10.912  -3.759
  362    HB1  ALA  48           1HB      ALA  48  11.051 -10.411  -1.684
  363    HB2  ALA  48           2HB      ALA  48  10.139  -8.994  -2.235
  364    HB3  ALA  48           3HB      ALA  48   9.528  -9.976  -0.879
  365    H    ILE  49           H        ILE  49   7.144 -12.221  -2.172
  366    HA   ILE  49           HA       ILE  49   8.564 -14.798  -1.646
  367    HB   ILE  49           HB       ILE  49   6.372 -13.673   0.125
  368   HG12  ILE  49          1HG1      ILE  49   9.378 -13.637   0.585
  369   HG13  ILE  49          2HG1      ILE  49   8.304 -12.241   0.413
  370   HG21  ILE  49          1HG2      ILE  49   6.945 -15.542   1.602
  371   HG22  ILE  49          2HG2      ILE  49   6.574 -16.171   0.016
  372   HG23  ILE  49          3HG2      ILE  49   8.270 -16.031   0.523
  373   HD11  ILE  49          3HD1      ILE  49   8.369 -14.182   2.741
  374   HD12  ILE  49          1HD1      ILE  49   8.803 -12.467   2.727
  375   HD13  ILE  49          2HD1      ILE  49   7.106 -12.944   2.501
  376    H    LYS  50           H        LYS  50   7.673 -16.479  -2.656
  377    HA   LYS  50           HA       LYS  50   5.423 -16.226  -4.424
  378    HB2  LYS  50           1HB      LYS  50   6.887 -18.671  -3.346
  379    HB3  LYS  50           2HB      LYS  50   5.643 -18.727  -4.616
  380    HG2  LYS  50           1HG      LYS  50   7.102 -17.117  -5.952
  381    HG3  LYS  50           2HG      LYS  50   8.329 -17.337  -4.690
  382    HD2  LYS  50           1HD      LYS  50   8.922 -18.768  -6.487
  383    HD3  LYS  50           2HD      LYS  50   8.349 -19.790  -5.161
  384    HE2  LYS  50           1HE      LYS  50   6.128 -19.979  -6.289
  385    HE3  LYS  50           2HE      LYS  50   6.705 -18.927  -7.589
  386    HZ1  LYS  50           3HZ      LYS  50   6.886 -21.271  -8.196
  387    HZ2  LYS  50           1HZ      LYS  50   7.850 -21.588  -6.919
  388    HZ3  LYS  50           2HZ      LYS  50   8.378 -20.617  -8.122
  389    H    ALA  51           H        ALA  51   5.632 -17.653  -1.168
  390    HA   ALA  51           HA       ALA  51   2.903 -18.513  -1.030
  391    HB1  ALA  51           1HB      ALA  51   4.717 -19.379   0.406
  392    HB2  ALA  51           2HB      ALA  51   4.868 -17.789   1.193
  393    HB3  ALA  51           3HB      ALA  51   3.380 -18.740   1.376
  394    H    ASN  52           H        ASN  52   4.311 -15.287  -0.573
  395    HA   ASN  52           HA       ASN  52   1.880 -14.186   0.667
  396    HB2  ASN  52           1HB      ASN  52   4.019 -13.135   1.154
  397    HB3  ASN  52           2HB      ASN  52   4.340 -12.900  -0.567
  398   HD21  ASN  52          1HD2      ASN  52   2.231 -11.827   2.118
  399   HD22  ASN  52          2HD2      ASN  52   1.768 -10.340   1.305
  400    H    LEU  53           H        LEU  53   3.294 -14.293  -2.665
  401    HA   LEU  53           HA       LEU  53   1.116 -12.943  -3.903
  402    HB2  LEU  53           1HB      LEU  53   3.340 -13.436  -4.964
  403    HB3  LEU  53           2HB      LEU  53   2.866 -15.131  -5.088
  404    HG   LEU  53           HG       LEU  53   0.906 -14.423  -6.530
  405   HD11  LEU  53          1HD1      LEU  53   0.982 -12.176  -7.559
  406   HD12  LEU  53          2HD1      LEU  53   2.318 -11.714  -6.486
  407   HD13  LEU  53          3HD1      LEU  53   0.698 -12.055  -5.830
  408   HD21  LEU  53          3HD2      LEU  53   2.230 -14.017  -8.535
  409   HD22  LEU  53          1HD2      LEU  53   3.026 -15.226  -7.514
  410   HD23  LEU  53          2HD2      LEU  53   3.629 -13.553  -7.549
  411    H    ASN  54           H        ASN  54   1.527 -16.379  -3.064
  412    HA   ASN  54           HA       ASN  54  -0.859 -17.434  -4.133
  413    HB2  ASN  54           1HB      ASN  54   1.136 -18.637  -3.105
  414    HB3  ASN  54           2HB      ASN  54   0.480 -18.237  -1.517
  415   HD21  ASN  54          1HD2      ASN  54   0.108 -20.255  -4.357
  416   HD22  ASN  54          2HD2      ASN  54  -1.158 -21.265  -3.670
  417    H    VAL  55           H        VAL  55  -0.495 -15.366  -1.306
  418    HA   VAL  55           HA       VAL  55  -3.327 -15.744  -0.483
  419    HB   VAL  55           HB       VAL  55  -1.103 -14.080   0.728
  420   HG11  VAL  55          1HG1      VAL  55  -3.961 -14.530   1.694
  421   HG12  VAL  55          2HG1      VAL  55  -2.655 -13.799   2.654
  422   HG13  VAL  55          3HG1      VAL  55  -3.240 -12.978   1.208
  423   HG21  VAL  55          3HG2      VAL  55  -2.510 -16.613   1.691
  424   HG22  VAL  55          1HG2      VAL  55  -0.861 -16.539   1.043
  425   HG23  VAL  55          2HG2      VAL  55  -1.241 -15.722   2.561
  426    H    HIS  56           H        HIS  56  -1.251 -13.261  -2.021
  427    HA   HIS  56           HA       HIS  56  -3.230 -11.218  -2.252
  428    HB2  HIS  56           1HB      HIS  56  -0.888 -10.774  -2.706
  429    HB3  HIS  56           2HB      HIS  56  -0.861 -11.977  -3.999
  430    HD1  HIS  56           1HD      HIS  56  -2.327  -8.475  -3.327
  431    HD2  HIS  56           2HD      HIS  56  -1.719 -11.289  -6.389
  432    HE1  HIS  56           1HE      HIS  56  -3.089  -7.344  -5.461
  433    H    LEU  57           H        LEU  57  -2.652 -14.013  -4.436
  434    HA   LEU  57           HA       LEU  57  -4.549 -13.315  -6.438
  435    HB2  LEU  57           1HB      LEU  57  -3.615 -15.967  -5.339
  436    HB3  LEU  57           2HB      LEU  57  -4.635 -15.856  -6.766
  437    HG   LEU  57           HG       LEU  57  -1.960 -14.400  -6.619
  438   HD11  LEU  57          1HD1      LEU  57  -1.593 -16.787  -6.201
  439   HD12  LEU  57          2HD1      LEU  57  -0.977 -16.301  -7.794
  440   HD13  LEU  57          3HD1      LEU  57  -2.516 -17.200  -7.664
  441   HD21  LEU  57          3HD2      LEU  57  -3.711 -15.330  -8.933
  442   HD22  LEU  57          1HD2      LEU  57  -2.103 -14.595  -9.073
  443   HD23  LEU  57          2HD2      LEU  57  -3.444 -13.649  -8.416
  444    H    ARG  58           H        ARG  58  -5.082 -14.696  -3.257
  445    HA   ARG  58           HA       ARG  58  -7.864 -15.418  -3.586
  446    HB2  ARG  58           1HB      ARG  58  -6.539 -14.674  -0.960
  447    HB3  ARG  58           2HB      ARG  58  -7.921 -15.727  -1.220
  448    HG2  ARG  58           1HG      ARG  58  -6.470 -17.407  -2.329
  449    HG3  ARG  58           2HG      ARG  58  -5.081 -16.329  -2.131
  450    HD2  ARG  58           1HD      ARG  58  -5.492 -16.383   0.371
  451    HD3  ARG  58           2HD      ARG  58  -6.659 -17.688   0.063
  452    HE   ARG  58           HE       ARG  58  -4.028 -18.140  -1.151
  453   HH11  ARG  58          2HH2      ARG  58  -5.749 -18.505   1.887
  454   HH12  ARG  58          1HH2      ARG  58  -4.662 -19.739   2.458
  455   HH21  ARG  58          2HH1      ARG  58  -2.698 -19.751  -0.372
  456   HH22  ARG  58          1HH1      ARG  58  -2.988 -20.418   1.211
  457    H    LYS  59           H        LYS  59  -6.453 -12.317  -3.404
  458    HA   LYS  59           HA       LYS  59  -8.870 -10.939  -2.398
  459    HB2  LYS  59           1HB      LYS  59  -6.393  -9.767  -3.729
  460    HB3  LYS  59           2HB      LYS  59  -7.652  -8.891  -2.863
  461    HG2  LYS  59           1HG      LYS  59  -7.051 -10.108  -0.769
  462    HG3  LYS  59           2HG      LYS  59  -5.720 -10.909  -1.633
  463    HD2  LYS  59           1HD      LYS  59  -4.723  -8.707  -2.159
  464    HD3  LYS  59           2HD      LYS  59  -6.002  -7.893  -1.251
  465    HE2  LYS  59           1HE      LYS  59  -4.052  -9.939  -0.081
  466    HE3  LYS  59           2HE      LYS  59  -3.824  -8.190  -0.009
  467    HZ1  LYS  59           3HZ      LYS  59  -4.836  -8.993   2.026
  468    HZ2  LYS  59           1HZ      LYS  59  -6.094  -9.654   1.231
  469    HZ3  LYS  59           2HZ      LYS  59  -5.901  -8.030   1.260
  470    H    HIS  60           H        HIS  60  -7.675 -12.042  -5.467
  471    HA   HIS  60           HA       HIS  60  -9.377 -10.269  -7.065
  472    HB2  HIS  60           1HB      HIS  60  -7.561 -12.580  -7.813
  473    HB3  HIS  60           2HB      HIS  60  -8.502 -11.644  -8.969
  474    HD1  HIS  60           1HD      HIS  60  -8.015  -8.808  -8.675
  475    HD2  HIS  60           2HD      HIS  60  -5.107 -11.673  -7.661
  476    HE1  HIS  60           1HE      HIS  60  -5.804  -7.582  -8.735
  477    H    THR  61           H        THR  61 -11.125 -11.253  -5.426
  478    HA   THR  61           HA       THR  61 -12.589 -13.486  -6.773
  479    HB   THR  61           HB       THR  61 -13.734 -13.724  -4.545
  480    HG1  THR  61           1HG      THR  61 -12.666 -12.757  -2.795
  481   HG21  THR  61          3HG2      THR  61 -11.895 -15.214  -5.187
  482   HG22  THR  61          1HG2      THR  61 -11.835 -14.852  -3.455
  483   HG23  THR  61          2HG2      THR  61 -10.705 -14.052  -4.570
  484    H    GLY  62           H        GLY  62 -12.714 -10.248  -6.949
  485    HA2  GLY  62           1HA      GLY  62 -15.450 -10.215  -7.892
  486    HA3  GLY  62           2HA      GLY  62 -15.276  -9.341  -6.368
  487    H    GLU  63           H        GLU  63 -16.113  -7.667  -7.990
  488    HA   GLU  63           HA       GLU  63 -13.991  -6.343  -9.581
  489    HB2  GLU  63           1HB      GLU  63 -16.153  -6.783 -10.656
  490    HB3  GLU  63           2HB      GLU  63 -16.985  -5.829  -9.420
  491    HG2  GLU  63           1HG      GLU  63 -15.806  -3.801 -10.138
  492    HG3  GLU  63           2HG      GLU  63 -14.810  -4.735 -11.256
  493    H    LYS  64           H        LYS  64 -13.039  -4.552  -8.939
  494    HA   LYS  64           HA       LYS  64 -13.527  -3.469  -6.253
  495    HB2  LYS  64           1HB      LYS  64 -11.358  -3.079  -8.337
  496    HB3  LYS  64           2HB      LYS  64 -11.522  -1.963  -6.981
  497    HG2  LYS  64           1HG      LYS  64 -11.370  -3.839  -5.379
  498    HG3  LYS  64           2HG      LYS  64 -11.081  -4.965  -6.725
  499    HD2  LYS  64           1HD      LYS  64  -8.999  -3.862  -7.295
  500    HD3  LYS  64           2HD      LYS  64  -9.373  -2.494  -6.238
  501    HE2  LYS  64           1HE      LYS  64  -9.418  -4.213  -4.301
  502    HE3  LYS  64           2HE      LYS  64  -8.619  -5.324  -5.426
  503    HZ1  LYS  64           3HZ      LYS  64  -6.849  -3.625  -5.664
  504    HZ2  LYS  64           1HZ      LYS  64  -7.009  -4.061  -4.094
  505    HZ3  LYS  64           2HZ      LYS  64  -7.630  -2.638  -4.609
  506    H    PHE  65           H        PHE  65 -13.959  -1.495  -5.641
  507    HA   PHE  65           HA       PHE  65 -14.755   0.628  -7.577
  508    HB2  PHE  65           1HB      PHE  65 -15.830   0.246  -4.767
  509    HB3  PHE  65           2HB      PHE  65 -16.421   1.343  -6.008
  510    HD1  PHE  65           2HD      PHE  65 -17.150   0.018  -8.312
  511    HD2  PHE  65           1HD      PHE  65 -17.061  -1.666  -4.345
  512    HE1  PHE  65           2HE      PHE  65 -18.812  -1.698  -9.000
  513    HE2  PHE  65           1HE      PHE  65 -18.728  -3.378  -5.036
  514    HZ   PHE  65           HZ       PHE  65 -19.625  -3.376  -7.349
  515    H    ALA  66           H        ALA  66 -14.128   2.803  -6.892
  516    HA   ALA  66           HA       ALA  66 -11.748   2.788  -5.078
  517    HB1  ALA  66           1HB      ALA  66 -12.103   4.237  -7.726
  518    HB2  ALA  66           2HB      ALA  66 -10.653   4.232  -6.702
  519    HB3  ALA  66           3HB      ALA  66 -11.185   2.734  -7.491
  520    H    CYS  67           H        CYS  67 -11.210   4.537  -3.900
  521    HA   CYS  67           HA       CYS  67 -13.244   6.375  -3.014
  522    HB2  CYS  67           1HB      CYS  67 -11.470   5.369  -1.640
  523    HB3  CYS  67           2HB      CYS  67 -10.243   6.258  -2.555
  524    H    ASP  68           H        ASP  68 -13.281   8.591  -3.166
  525    HA   ASP  68           HA       ASP  68 -12.172   9.790  -5.666
  526    HB2  ASP  68           1HB      ASP  68 -14.640   9.777  -5.328
  527    HB3  ASP  68           2HB      ASP  68 -14.427  10.760  -3.879
  528    H    TYR  69           H        TYR  69 -11.345   9.587  -2.455
  529    HA   TYR  69           HA       TYR  69 -10.133  12.337  -2.364
  530    HB2  TYR  69           1HB      TYR  69 -11.229  10.659  -0.107
  531    HB3  TYR  69           2HB      TYR  69 -10.555  12.275   0.042
  532    HD1  TYR  69           1HD      TYR  69 -11.793  14.236  -0.980
  533    HD2  TYR  69           2HD      TYR  69 -13.501  10.281  -0.738
  534    HE1  TYR  69           1HE      TYR  69 -14.064  15.195  -1.330
  535    HE2  TYR  69           2HE      TYR  69 -15.776  11.244  -1.094
  536    HH   TYR  69           HH       TYR  69 -16.309  14.762  -1.520
  537    H    CYS  70           H        CYS  70  -9.425   8.949  -2.172
  538    HA   CYS  70           HA       CYS  70  -6.591   9.545  -1.901
  539    HB2  CYS  70           1HB      CYS  70  -6.107   8.105  -0.060
  540    HB3  CYS  70           2HB      CYS  70  -7.294   9.289   0.454
  541    H    SER  71           H        SER  71  -5.504   7.096  -1.770
  542    HA   SER  71           HA       SER  71  -6.126   5.913  -4.363
  543    HB2  SER  71           1HB      SER  71  -4.019   5.135  -2.319
  544    HB3  SER  71           2HB      SER  71  -4.075   4.630  -4.017
  545    HG   SER  71           HG       SER  71  -3.771   6.788  -4.634
  546    H    PHE  72           H        PHE  72  -7.645   5.318  -1.494
  547    HA   PHE  72           HA       PHE  72  -7.487   2.510  -1.135
  548    HB2  PHE  72           1HB      PHE  72  -8.333   4.032   0.548
  549    HB3  PHE  72           2HB      PHE  72  -9.661   4.514  -0.495
  550    HD1  PHE  72           1HD      PHE  72  -8.329   1.748   1.603
  551    HD2  PHE  72           2HD      PHE  72 -11.695   3.226  -0.654
  552    HE1  PHE  72           1HE      PHE  72  -9.794   0.039   2.658
  553    HE2  PHE  72           2HE      PHE  72 -13.156   1.526   0.410
  554    HZ   PHE  72           HZ       PHE  72 -12.208  -0.068   2.070
  555    H    THR  73           H        THR  73  -8.678   0.779  -1.753
  556    HA   THR  73           HA       THR  73 -10.990   1.087  -3.547
  557    HB   THR  73           HB       THR  73 -10.272  -0.832  -4.948
  558    HG1  THR  73           1HG      THR  73  -7.726  -0.301  -3.816
  559   HG21  THR  73          3HG2      THR  73  -8.727   0.353  -6.414
  560   HG22  THR  73          1HG2      THR  73  -8.368   1.536  -5.137
  561   HG23  THR  73          2HG2      THR  73  -9.998   1.441  -5.835
  562    H    CYS  74           H        CYS  74 -12.510  -0.581  -3.433
  563    HA   CYS  74           HA       CYS  74 -12.001  -2.885  -1.659
  564    HB2  CYS  74           1HB      CYS  74 -12.797  -0.931  -0.247
  565    HB3  CYS  74           2HB      CYS  74 -14.353  -1.028  -1.092
  566    HG   CYS  74           HG       CYS  74 -14.323  -2.174   1.372
  567    H    LEU  75           H        LEU  75 -13.790  -4.466  -1.694
  568    HA   LEU  75           HA       LEU  75 -14.927  -4.763  -4.408
  569    HB2  LEU  75           1HB      LEU  75 -14.833  -6.675  -2.043
  570    HB3  LEU  75           2HB      LEU  75 -15.396  -7.075  -3.662
  571    HG   LEU  75           HG       LEU  75 -12.537  -6.317  -2.927
  572   HD11  LEU  75          1HD1      LEU  75 -13.768  -8.970  -3.789
  573   HD12  LEU  75          2HD1      LEU  75 -13.235  -8.557  -2.145
  574   HD13  LEU  75          3HD1      LEU  75 -12.050  -8.665  -3.456
  575   HD21  LEU  75          3HD2      LEU  75 -12.005  -7.040  -5.251
  576   HD22  LEU  75          1HD2      LEU  75 -13.031  -5.601  -5.221
  577   HD23  LEU  75          2HD2      LEU  75 -13.747  -7.181  -5.584
  578    H    SER  76           H        SER  76 -16.078  -3.134  -1.838
  579    HA   SER  76           HA       SER  76 -18.928  -3.777  -2.456
  580    HB2  SER  76           1HB      SER  76 -18.517  -4.977  -0.444
  581    HB3  SER  76           2HB      SER  76 -17.646  -3.616   0.283
  582    HG   SER  76           HG       SER  76 -19.972  -3.976   0.872
  583    H    LYS  77           H        LYS  77 -20.155  -2.082  -2.823
  584    HA   LYS  77           HA       LYS  77 -19.281   0.680  -2.658
  585    HB2  LYS  77           1HB      LYS  77 -22.017  -0.631  -3.008
  586    HB3  LYS  77           2HB      LYS  77 -21.773   1.110  -3.046
  587    HG2  LYS  77           1HG      LYS  77 -20.521  -0.864  -4.996
  588    HG3  LYS  77           2HG      LYS  77 -21.959   0.116  -5.275
  589    HD2  LYS  77           1HD      LYS  77 -20.507   2.195  -4.874
  590    HD3  LYS  77           2HD      LYS  77 -19.112   1.110  -4.863
  591    HE2  LYS  77           1HE      LYS  77 -19.219   1.967  -7.059
  592    HE3  LYS  77           2HE      LYS  77 -19.796   0.300  -7.151
  593    HZ1  LYS  77           3HZ      LYS  77 -21.544   2.708  -7.085
  594    HZ2  LYS  77           1HZ      LYS  77 -22.079   1.166  -7.200
  595    HZ3  LYS  77           2HZ      LYS  77 -21.214   1.824  -8.414
  596    H    GLY  78           H        GLY  78 -21.024  -1.437  -0.423
  597    HA2  GLY  78           1HA      GLY  78 -21.895   0.615   1.429
  598    HA3  GLY  78           2HA      GLY  78 -21.721  -1.116   1.760
  599    H    HIS  79           H        HIS  79 -19.034  -1.583   1.362
  600    HA   HIS  79           HA       HIS  79 -17.792  -0.463   3.705
  601    HB2  HIS  79           1HB      HIS  79 -17.361  -2.707   2.640
  602    HB3  HIS  79           2HB      HIS  79 -16.442  -1.873   1.386
  603    HD1  HIS  79           1HD      HIS  79 -14.913   0.144   3.553
  604    HD2  HIS  79           2HD      HIS  79 -15.371  -4.034   3.708
  605    HE1  HIS  79           1HE      HIS  79 -12.993  -0.733   4.994
  606    H    LEU  80           H        LEU  80 -17.544   0.388   0.225
  607    HA   LEU  80           HA       LEU  80 -15.509   2.381   0.567
  608    HB2  LEU  80           1HB      LEU  80 -16.049   1.326  -1.586
  609    HB3  LEU  80           2HB      LEU  80 -17.659   2.053  -1.558
  610    HG   LEU  80           HG       LEU  80 -16.670   4.314  -1.718
  611   HD11  LEU  80          1HD1      LEU  80 -14.488   3.980  -0.626
  612   HD12  LEU  80          2HD1      LEU  80 -14.263   4.555  -2.273
  613   HD13  LEU  80          3HD1      LEU  80 -14.001   2.838  -1.907
  614   HD21  LEU  80          3HD2      LEU  80 -17.238   2.996  -3.757
  615   HD22  LEU  80          1HD2      LEU  80 -15.551   2.431  -3.822
  616   HD23  LEU  80          2HD2      LEU  80 -15.929   4.156  -4.017
  617    H    LYS  81           H        LYS  81 -19.103   2.614   0.678
  618    HA   LYS  81           HA       LYS  81 -19.233   5.434   1.166
  619    HB2  LYS  81           1HB      LYS  81 -21.156   3.989   0.554
  620    HB3  LYS  81           2HB      LYS  81 -21.111   3.243   2.158
  621    HG2  LYS  81           1HG      LYS  81 -21.521   5.470   3.198
  622    HG3  LYS  81           2HG      LYS  81 -21.581   6.209   1.592
  623    HD2  LYS  81           1HD      LYS  81 -23.479   4.052   2.629
  624    HD3  LYS  81           2HD      LYS  81 -23.821   5.786   2.590
  625    HE2  LYS  81           1HE      LYS  81 -23.550   5.779   0.107
  626    HE3  LYS  81           2HE      LYS  81 -23.281   4.032   0.151
  627    HZ1  LYS  81           3HZ      LYS  81 -25.769   5.394   1.042
  628    HZ2  LYS  81           1HZ      LYS  81 -25.521   3.778   1.090
  629    HZ3  LYS  81           2HZ      LYS  81 -25.597   4.553  -0.345
  630    H    VAL  82           H        VAL  82 -19.011   2.714   3.524
  631    HA   VAL  82           HA       VAL  82 -18.807   4.361   5.854
  632    HB   VAL  82           HB       VAL  82 -17.720   1.573   5.323
  633   HG11  VAL  82          1HG1      VAL  82 -16.460   2.494   7.219
  634   HG12  VAL  82          2HG1      VAL  82 -17.962   3.086   7.967
  635   HG13  VAL  82          3HG1      VAL  82 -17.654   1.342   7.811
  636   HG21  VAL  82          3HG2      VAL  82 -20.215   1.833   5.249
  637   HG22  VAL  82          1HG2      VAL  82 -19.679   0.856   6.618
  638   HG23  VAL  82          2HG2      VAL  82 -20.170   2.548   6.869
  639    H    HIS  83           H        HIS  83 -16.172   3.169   3.685
  640    HA   HIS  83           HA       HIS  83 -14.004   4.336   5.081
  641    HB2  HIS  83           1HB      HIS  83 -13.612   2.813   3.269
  642    HB3  HIS  83           2HB      HIS  83 -14.461   3.837   2.120
  643    HD1  HIS  83           1HD      HIS  83 -11.093   3.646   3.928
  644    HD2  HIS  83           2HD      HIS  83 -13.167   5.902   1.057
  645    HE1  HIS  83           1HE      HIS  83  -9.374   5.205   2.904
  646    H    ILE  84           H        ILE  84 -16.099   5.902   2.565
  647    HA   ILE  84           HA       ILE  84 -14.724   8.431   2.781
  648    HB   ILE  84           HB       ILE  84 -17.449   7.730   1.650
  649   HG12  ILE  84          1HG1      ILE  84 -14.785   8.346   0.266
  650   HG13  ILE  84          2HG1      ILE  84 -15.377   6.720   0.557
  651   HG21  ILE  84          1HG2      ILE  84 -15.850  10.328   1.402
  652   HG22  ILE  84          2HG2      ILE  84 -17.348   9.948   0.522
  653   HG23  ILE  84          3HG2      ILE  84 -17.393  10.132   2.265
  654   HD11  ILE  84          3HD1      ILE  84 -17.394   7.199  -0.831
  655   HD12  ILE  84          1HD1      ILE  84 -16.669   8.769  -1.265
  656   HD13  ILE  84          2HD1      ILE  84 -15.853   7.265  -1.709
  657    H    GLU  85           H        GLU  85 -17.737   7.262   4.336
  658    HA   GLU  85           HA       GLU  85 -18.318   9.705   5.711
  659    HB2  GLU  85           1HB      GLU  85 -19.060   6.798   6.259
  660    HB3  GLU  85           2HB      GLU  85 -19.762   8.132   7.146
  661    HG2  GLU  85           1HG      GLU  85 -20.001   7.828   4.121
  662    HG3  GLU  85           2HG      GLU  85 -21.155   7.156   5.266
  663    H    ARG  86           H        ARG  86 -16.052   7.142   6.626
  664    HA   ARG  86           HA       ARG  86 -15.657   8.461   9.287
  665    HB2  ARG  86           1HB      ARG  86 -14.593   5.802   8.278
  666    HB3  ARG  86           2HB      ARG  86 -14.440   6.450   9.908
  667    HG2  ARG  86           1HG      ARG  86 -16.979   5.505   8.523
  668    HG3  ARG  86           2HG      ARG  86 -16.172   4.786   9.895
  669    HD2  ARG  86           1HD      ARG  86 -17.724   7.395   9.794
  670    HD3  ARG  86           2HD      ARG  86 -18.185   5.908  10.605
  671    HE   ARG  86           HE       ARG  86 -16.241   6.242  12.146
  672   HH11  ARG  86          2HH1      ARG  86 -17.517   9.135  10.580
  673   HH12  ARG  86          1HH1      ARG  86 -17.036  10.149  11.911
  674   HH21  ARG  86          2HH2      ARG  86 -15.610   7.619  13.746
  675   HH22  ARG  86          1HH2      ARG  86 -15.957   9.318  13.628
  676    H    VAL  87           H        VAL  87 -13.681   7.518   6.447
  677    HA   VAL  87           HA       VAL  87 -11.286   8.584   7.724
  678    HB   VAL  87           HB       VAL  87 -11.621   7.635   4.859
  679   HG11  VAL  87          1HG1      VAL  87  -9.136   8.046   6.570
  680   HG12  VAL  87          2HG1      VAL  87  -9.177   7.275   4.969
  681   HG13  VAL  87          3HG1      VAL  87  -9.592   8.980   5.127
  682   HG21  VAL  87          3HG2      VAL  87 -10.689   6.172   7.381
  683   HG22  VAL  87          1HG2      VAL  87 -12.161   5.814   6.452
  684   HG23  VAL  87          2HG2      VAL  87 -10.577   5.530   5.730
  685    H    HIS  88           H        HIS  88 -13.522   9.781   5.214
  686    HA   HIS  88           HA       HIS  88 -11.818  12.221   4.926
  687    HB2  HIS  88           1HB      HIS  88 -13.814  10.993   3.005
  688    HB3  HIS  88           2HB      HIS  88 -12.825  12.423   2.708
  689    HD1  HIS  88           1HD      HIS  88  -9.986  11.801   3.057
  690    HD2  HIS  88           2HD      HIS  88 -12.761   8.804   2.083
  691    HE1  HIS  88           1HE      HIS  88  -8.629   9.897   2.067
  692    H    LYS  89           H        LYS  89 -15.246  11.292   5.483
  693    HA   LYS  89           HA       LYS  89 -16.007  14.121   5.877
  694    HB2  LYS  89           1HB      LYS  89 -17.585  11.597   6.304
  695    HB3  LYS  89           2HB      LYS  89 -18.183  13.240   6.545
  696    HG2  LYS  89           1HG      LYS  89 -17.610  13.765   4.143
  697    HG3  LYS  89           2HG      LYS  89 -17.204  12.051   3.911
  698    HD2  LYS  89           1HD      LYS  89 -19.508  11.446   4.647
  699    HD3  LYS  89           2HD      LYS  89 -19.910  13.169   4.781
  700    HE2  LYS  89           1HE      LYS  89 -19.431  13.465   2.358
  701    HE3  LYS  89           2HE      LYS  89 -19.008  11.749   2.234
  702    HZ1  LYS  89           3HZ      LYS  89 -21.293  12.043   1.560
  703    HZ2  LYS  89           1HZ      LYS  89 -21.685  12.818   2.945
  704    HZ3  LYS  89           2HZ      LYS  89 -21.294  11.231   2.990
  705    H    LYS  90           H        LYS  90 -14.831  14.962   7.531
  706    HA   LYS  90           HA       LYS  90 -14.341  13.447   9.986
  707    HB2  LYS  90           1HB      LYS  90 -13.503  16.303   9.412
  708    HB3  LYS  90           2HB      LYS  90 -12.824  15.191  10.595
  709    HG2  LYS  90           1HG      LYS  90 -12.522  15.169   7.586
  710    HG3  LYS  90           2HG      LYS  90 -11.275  15.330   8.808
  711    HD2  LYS  90           1HD      LYS  90 -12.822  12.792   8.122
  712    HD3  LYS  90           2HD      LYS  90 -11.155  13.173   7.709
  713    HE2  LYS  90           1HE      LYS  90 -10.505  13.157  10.066
  714    HE3  LYS  90           2HE      LYS  90 -12.179  12.881  10.570
  715    HZ1  LYS  90           3HZ      LYS  90 -10.666  11.018   8.824
  716    HZ2  LYS  90           1HZ      LYS  90 -12.138  10.731   9.485
  717    HZ3  LYS  90           2HZ      LYS  90 -10.818  10.816  10.446
  718    H    ILE  91           H        ILE  91 -16.958  13.642   9.886
  719    HA   ILE  91           HA       ILE  91 -17.899  15.864  11.601
  720    HB   ILE  91           HB       ILE  91 -20.145  15.125  11.042
  721   HG12  ILE  91          1HG1      ILE  91 -18.837  13.100   9.162
  722   HG13  ILE  91          2HG1      ILE  91 -19.682  12.704  10.662
  723   HG21  ILE  91          1HG2      ILE  91 -20.136  16.020   8.792
  724   HG22  ILE  91          2HG2      ILE  91 -18.873  16.833   9.714
  725   HG23  ILE  91          3HG2      ILE  91 -18.437  15.562   8.553
  726   HD11  ILE  91          3HD1      ILE  91 -20.911  13.946   8.175
  727   HD12  ILE  91          1HD1      ILE  91 -21.181  12.322   8.827
  728   HD13  ILE  91          2HD1      ILE  91 -21.763  13.739   9.726
  729    H    LYS  92           H        LYS  92 -19.178  15.531  13.392
  730    HA   LYS  92           HA       LYS  92 -19.187  12.960  14.821
  731    HB2  LYS  92           1HB      LYS  92 -18.090  13.828  16.801
  732    HB3  LYS  92           2HB      LYS  92 -17.001  13.887  15.417
  733    HG2  LYS  92           1HG      LYS  92 -17.494  16.335  15.159
  734    HG3  LYS  92           2HG      LYS  92 -18.508  16.271  16.601
  735    HD2  LYS  92           1HD      LYS  92 -15.526  15.656  16.454
  736    HD3  LYS  92           2HD      LYS  92 -16.229  17.151  17.055
  737    HE2  LYS  92           1HE      LYS  92 -16.626  14.393  18.306
  738    HE3  LYS  92           2HE      LYS  92 -15.465  15.601  18.851
  739    HZ1  LYS  92           3HZ      LYS  92 -17.478  15.706  20.170
  740    HZ2  LYS  92           1HZ      LYS  92 -18.412  15.967  18.860
  741    HZ3  LYS  92           2HZ      LYS  92 -17.327  17.096  19.334
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  11.434  37.444  -1.410
    2    H2   GLY   1           2H       GLY   1  11.156  37.845   0.156
    3    H3   GLY   1           3H       GLY   1   9.910  37.393  -0.804
    4    HA2  GLY   1           1HA      GLY   1  10.793  35.163  -1.015
    5    HA3  GLY   1           2HA      GLY   1  12.141  35.653   0.026
    6    H    SER   2           H        SER   2  11.007  33.560   0.989
    7    HA   SER   2           HA       SER   2   9.537  34.452   3.389
    8    HB2  SER   2           1HB      SER   2   7.727  33.896   1.837
    9    HB3  SER   2           2HB      SER   2   8.457  32.313   1.511
   10    HG   SER   2           HG       SER   2   6.729  32.348   3.123
   11    H    SER   3           H        SER   3   9.840  33.158   5.156
   12    HA   SER   3           HA       SER   3  11.951  31.107   5.097
   13    HB2  SER   3           1HB      SER   3  10.301  32.169   7.417
   14    HB3  SER   3           2HB      SER   3  11.740  31.137   7.531
   15    HG   SER   3           HG       SER   3  12.237  33.363   7.835
   16    H    GLY   4           H        GLY   4   8.692  30.954   4.425
   17    HA2  GLY   4           1HA      GLY   4   7.798  28.713   5.961
   18    HA3  GLY   4           2HA      GLY   4   7.045  29.375   4.514
   19    H    SER   5           H        SER   5  10.161  28.515   3.626
   20    HA   SER   5           HA       SER   5   9.627  25.641   3.139
   21    HB2  SER   5           1HB      SER   5   8.730  26.782   1.154
   22    HB3  SER   5           2HB      SER   5  10.276  27.622   0.921
   23    HG   SER   5           HG       SER   5   9.977  25.666  -0.356
   24    H    SER   6           H        SER   6  11.472  24.403   2.785
   25    HA   SER   6           HA       SER   6  14.056  25.446   3.710
   26    HB2  SER   6           1HB      SER   6  14.788  23.125   3.422
   27    HB3  SER   6           2HB      SER   6  13.275  23.202   4.345
   28    HG   SER   6           HG       SER   6  13.114  21.601   2.759
   29    H    GLY   7           H        GLY   7  12.452  25.112   0.659
   30    HA2  GLY   7           1HA      GLY   7  13.118  25.538  -1.500
   31    HA3  GLY   7           2HA      GLY   7  14.685  26.086  -0.901
   32    H    LYS   8           H        LYS   8  13.937  22.877   0.126
   33    HA   LYS   8           HA       LYS   8  16.058  21.775  -1.553
   34    HB2  LYS   8           1HB      LYS   8  15.687  21.292   0.904
   35    HB3  LYS   8           2HB      LYS   8  14.300  20.294   0.442
   36    HG2  LYS   8           1HG      LYS   8  15.753  18.783  -0.823
   37    HG3  LYS   8           2HG      LYS   8  17.131  19.885  -0.625
   38    HD2  LYS   8           1HD      LYS   8  17.030  19.536   1.845
   39    HD3  LYS   8           2HD      LYS   8  15.720  18.357   1.606
   40    HE2  LYS   8           1HE      LYS   8  17.217  16.960   0.219
   41    HE3  LYS   8           2HE      LYS   8  18.500  18.168   0.352
   42    HZ1  LYS   8           3HZ      LYS   8  18.571  17.765   2.745
   43    HZ2  LYS   8           1HZ      LYS   8  18.821  16.366   1.949
   44    HZ3  LYS   8           2HZ      LYS   8  17.375  16.656   2.653
   45    H    ILE   9           H        ILE   9  15.926  20.019  -2.961
   46    HA   ILE   9           HA       ILE   9  13.306  19.460  -4.260
   47    HB   ILE   9           HB       ILE   9  15.773  20.459  -5.748
   48   HG12  ILE   9          1HG1      ILE   9  13.152  21.923  -5.181
   49   HG13  ILE   9          2HG1      ILE   9  14.731  22.321  -4.499
   50   HG21  ILE   9          1HG2      ILE   9  12.965  19.801  -6.704
   51   HG22  ILE   9          2HG2      ILE   9  14.259  20.489  -7.712
   52   HG23  ILE   9          3HG2      ILE   9  14.447  18.881  -7.069
   53   HD11  ILE   9          3HD1      ILE   9  14.328  23.897  -6.198
   54   HD12  ILE   9          1HD1      ILE   9  15.584  22.800  -6.802
   55   HD13  ILE   9          2HD1      ILE   9  13.904  22.662  -7.385
   56    H    PHE  10           H        PHE  10  13.166  17.494  -5.259
   57    HA   PHE  10           HA       PHE  10  15.527  15.661  -5.307
   58    HB2  PHE  10           1HB      PHE  10  12.684  14.987  -4.445
   59    HB3  PHE  10           2HB      PHE  10  14.024  13.861  -4.576
   60    HD1  PHE  10           1HD      PHE  10  12.619  16.652  -2.605
   61    HD2  PHE  10           2HD      PHE  10  15.782  13.741  -2.878
   62    HE1  PHE  10           1HE      PHE  10  13.237  17.108  -0.241
   63    HE2  PHE  10           2HE      PHE  10  16.403  14.197  -0.519
   64    HZ   PHE  10           HZ       PHE  10  15.111  15.855   0.816
   65    H    THR  11           H        THR  11  15.600  14.227  -7.104
   66    HA   THR  11           HA       THR  11  13.589  14.704  -9.264
   67    HB   THR  11           HB       THR  11  16.609  14.742  -9.565
   68    HG1  THR  11           1HG      THR  11  16.345  16.939  -9.863
   69   HG21  THR  11          3HG2      THR  11  16.106  15.696 -11.802
   70   HG22  THR  11          1HG2      THR  11  14.372  15.428 -11.517
   71   HG23  THR  11          2HG2      THR  11  15.490  14.050 -11.632
   72    H    CYS  12           H        CYS  12  13.058  13.026 -10.533
   73    HA   CYS  12           HA       CYS  12  13.827  10.313  -9.872
   74    HB2  CYS  12           1HB      CYS  12  11.582  10.937 -10.574
   75    HB3  CYS  12           2HB      CYS  12  12.201  11.518 -12.136
   76    H    GLU  13           H        GLU  13  15.333   9.047 -10.739
   77    HA   GLU  13           HA       GLU  13  17.214  10.144 -12.718
   78    HB2  GLU  13           1HB      GLU  13  18.620   8.286 -12.196
   79    HB3  GLU  13           2HB      GLU  13  18.034   9.012 -10.703
   80    HG2  GLU  13           1HG      GLU  13  16.329   7.186 -10.508
   81    HG3  GLU  13           2HG      GLU  13  16.972   6.455 -11.983
   82    H    TYR  14           H        TYR  14  14.335   8.414 -12.985
   83    HA   TYR  14           HA       TYR  14  15.195   6.929 -15.437
   84    HB2  TYR  14           1HB      TYR  14  12.746   6.642 -13.695
   85    HB3  TYR  14           2HB      TYR  14  13.122   5.653 -15.092
   86    HD1  TYR  14           2HD      TYR  14  15.181   4.156 -15.049
   87    HD2  TYR  14           1HD      TYR  14  13.621   6.112 -11.536
   88    HE1  TYR  14           2HE      TYR  14  16.352   2.495 -13.599
   89    HE2  TYR  14           1HE      TYR  14  14.768   4.435 -10.092
   90    HH   TYR  14           HH       TYR  14  16.107   2.581 -10.025
   91    H    CYS  15           H        CYS  15  12.871   9.418 -14.372
   92    HA   CYS  15           HA       CYS  15  12.259   9.948 -17.231
   93    HB2  CYS  15           1HB      CYS  15   9.937  10.230 -16.836
   94    HB3  CYS  15           2HB      CYS  15  10.439   8.609 -16.364
   95    H    ASN  16           H        ASN  16  13.737  11.284 -14.733
   96    HA   ASN  16           HA       ASN  16  14.381  13.337 -14.130
   97    HB2  ASN  16           1HB      ASN  16  13.611  14.091 -16.964
   98    HB3  ASN  16           2HB      ASN  16  14.722  14.968 -15.917
   99   HD21  ASN  16          1HD2      ASN  16  16.703  13.733 -15.146
  100   HD22  ASN  16          2HD2      ASN  16  17.376  12.572 -16.279
  101    H    LYS  17           H        LYS  17  11.345  12.780 -13.851
  102    HA   LYS  17           HA       LYS  17  10.094  15.362 -13.538
  103    HB2  LYS  17           1HB      LYS  17   9.653  12.634 -12.277
  104    HB3  LYS  17           2HB      LYS  17   8.666  14.048 -11.847
  105    HG2  LYS  17           1HG      LYS  17   7.905  14.286 -14.161
  106    HG3  LYS  17           2HG      LYS  17   8.972  12.955 -14.658
  107    HD2  LYS  17           1HD      LYS  17   7.751  11.486 -12.962
  108    HD3  LYS  17           2HD      LYS  17   6.624  12.813 -12.699
  109    HE2  LYS  17           1HE      LYS  17   5.732  11.102 -14.179
  110    HE3  LYS  17           2HE      LYS  17   5.832  12.671 -14.991
  111    HZ1  LYS  17           3HZ      LYS  17   6.673  10.690 -16.319
  112    HZ2  LYS  17           1HZ      LYS  17   7.966  10.614 -15.294
  113    HZ3  LYS  17           2HZ      LYS  17   7.726  11.933 -16.212
  114    H    VAL  18           H        VAL  18   9.722  16.538 -11.718
  115    HA   VAL  18           HA       VAL  18  11.852  16.419  -9.614
  116    HB   VAL  18           HB       VAL  18  10.627  18.888 -10.888
  117   HG11  VAL  18          1HG1      VAL  18  12.448  20.074  -9.650
  118   HG12  VAL  18          2HG1      VAL  18  11.295  19.312  -8.555
  119   HG13  VAL  18          3HG1      VAL  18  12.870  18.537  -8.863
  120   HG21  VAL  18          3HG2      VAL  18  12.180  17.776 -12.457
  121   HG22  VAL  18          1HG2      VAL  18  12.903  19.251 -11.817
  122   HG23  VAL  18          2HG2      VAL  18  13.412  17.674 -11.178
  123    H    PHE  19           H        PHE  19  11.320  16.638  -7.548
  124    HA   PHE  19           HA       PHE  19   8.482  17.066  -6.731
  125    HB2  PHE  19           1HB      PHE  19  10.351  14.853  -5.791
  126    HB3  PHE  19           2HB      PHE  19   8.710  15.129  -5.235
  127    HD1  PHE  19           1HD      PHE  19  10.802  13.850  -7.994
  128    HD2  PHE  19           2HD      PHE  19   6.763  14.525  -6.650
  129    HE1  PHE  19           1HE      PHE  19   9.949  12.448  -9.854
  130    HE2  PHE  19           2HE      PHE  19   5.909  13.138  -8.527
  131    HZ   PHE  19           HZ       PHE  19   7.493  12.130 -10.166
  132    H    LYS  20           H        LYS  20   8.184  17.986  -4.691
  133    HA   LYS  20           HA       LYS  20  10.362  19.587  -3.620
  134    HB2  LYS  20           1HB      LYS  20   8.708  20.254  -1.887
  135    HB3  LYS  20           2HB      LYS  20   8.290  20.602  -3.545
  136    HG2  LYS  20           1HG      LYS  20   6.726  18.662  -3.590
  137    HG3  LYS  20           2HG      LYS  20   7.148  18.304  -1.904
  138    HD2  LYS  20           1HD      LYS  20   6.370  20.583  -1.258
  139    HD3  LYS  20           2HD      LYS  20   5.929  20.893  -2.948
  140    HE2  LYS  20           1HE      LYS  20   4.346  18.972  -2.884
  141    HE3  LYS  20           2HE      LYS  20   4.789  18.661  -1.201
  142    HZ1  LYS  20           3HZ      LYS  20   3.496  21.148  -2.193
  143    HZ2  LYS  20           1HZ      LYS  20   3.907  20.869  -0.637
  144    HZ3  LYS  20           2HZ      LYS  20   2.748  19.969  -1.351
  145    H    PHE  21           H        PHE  21   8.877  16.573  -2.547
  146    HA   PHE  21           HA       PHE  21  10.645  16.560  -0.129
  147    HB2  PHE  21           1HB      PHE  21   7.915  15.295  -0.431
  148    HB3  PHE  21           2HB      PHE  21   8.878  15.394   1.027
  149    HD1  PHE  21           2HD      PHE  21   9.560  18.551   0.513
  150    HD2  PHE  21           1HD      PHE  21   5.962  16.169   0.630
  151    HE1  PHE  21           2HE      PHE  21   8.290  20.506   1.299
  152    HE2  PHE  21           1HE      PHE  21   4.694  18.140   1.429
  153    HZ   PHE  21           HZ       PHE  21   5.856  20.316   1.774
  154    H    LYS  22           H        LYS  22  11.577  14.630   0.545
  155    HA   LYS  22           HA       LYS  22  12.429  12.809  -1.457
  156    HB2  LYS  22           1HB      LYS  22  13.614  13.336   0.684
  157    HB3  LYS  22           2HB      LYS  22  12.415  12.386   1.566
  158    HG2  LYS  22           1HG      LYS  22  13.063  10.370   0.239
  159    HG3  LYS  22           2HG      LYS  22  14.270  11.327  -0.626
  160    HD2  LYS  22           1HD      LYS  22  14.243  10.841   2.388
  161    HD3  LYS  22           2HD      LYS  22  15.172   9.893   1.218
  162    HE2  LYS  22           1HE      LYS  22  16.385  11.953   0.519
  163    HE3  LYS  22           2HE      LYS  22  15.499  12.882   1.736
  164    HZ1  LYS  22           3HZ      LYS  22  17.672  12.168   2.570
  165    HZ2  LYS  22           1HZ      LYS  22  17.312  10.598   2.324
  166    HZ3  LYS  22           2HZ      LYS  22  16.496  11.456   3.450
  167    H    HIS  23           H        HIS  23   9.818  12.412   0.966
  168    HA   HIS  23           HA       HIS  23   9.249   9.699   0.263
  169    HB2  HIS  23           1HB      HIS  23   7.193   9.986   1.540
  170    HB3  HIS  23           2HB      HIS  23   8.614  10.557   2.397
  171    HD1  HIS  23           1HD      HIS  23   8.479  13.018   3.314
  172    HD2  HIS  23           2HD      HIS  23   5.484  11.968   0.547
  173    HE1  HIS  23           1HE      HIS  23   6.797  14.931   3.320
  174    H    SER  24           H        SER  24   8.084  12.748  -1.173
  175    HA   SER  24           HA       SER  24   6.053  11.580  -2.843
  176    HB2  SER  24           1HB      SER  24   7.737  14.064  -3.333
  177    HB3  SER  24           2HB      SER  24   6.233  13.622  -4.164
  178    HG   SER  24           HG       SER  24   5.753  15.047  -2.489
  179    H    LEU  25           H        LEU  25   9.567  12.202  -3.402
  180    HA   LEU  25           HA       LEU  25   9.568  11.002  -6.020
  181    HB2  LEU  25           1HB      LEU  25  11.344  12.517  -5.358
  182    HB3  LEU  25           2HB      LEU  25  11.808  11.466  -4.016
  183    HG   LEU  25           HG       LEU  25  12.488   9.695  -5.604
  184   HD11  LEU  25          1HD1      LEU  25  10.994  10.239  -7.530
  185   HD12  LEU  25          2HD1      LEU  25  12.686  10.144  -7.998
  186   HD13  LEU  25          3HD1      LEU  25  11.917  11.732  -7.803
  187   HD21  LEU  25          3HD2      LEU  25  14.132  11.376  -4.853
  188   HD22  LEU  25          1HD2      LEU  25  13.746  12.361  -6.288
  189   HD23  LEU  25          2HD2      LEU  25  14.482  10.761  -6.478
  190    H    GLN  26           H        GLN  26  10.341   9.599  -2.763
  191    HA   GLN  26           HA       GLN  26  10.996   6.995  -3.664
  192    HB2  GLN  26           1HB      GLN  26   9.719   8.001  -1.097
  193    HB3  GLN  26           2HB      GLN  26  10.113   6.309  -1.330
  194    HG2  GLN  26           1HG      GLN  26  12.166   8.564  -1.538
  195    HG3  GLN  26           2HG      GLN  26  11.856   7.627  -0.078
  196   HE21  GLN  26          1HE2      GLN  26  12.249   5.197  -0.220
  197   HE22  GLN  26          2HE2      GLN  26  13.503   4.669  -1.333
  198    H    ALA  27           H        ALA  27   7.731   8.312  -2.918
  199    HA   ALA  27           HA       ALA  27   6.385   5.837  -3.519
  200    HB1  ALA  27           1HB      ALA  27   5.475   7.557  -2.039
  201    HB2  ALA  27           2HB      ALA  27   5.356   8.691  -3.412
  202    HB3  ALA  27           3HB      ALA  27   4.369   7.209  -3.390
  203    H    HIS  28           H        HIS  28   7.348   8.604  -5.553
  204    HA   HIS  28           HA       HIS  28   5.929   7.739  -7.925
  205    HB2  HIS  28           1HB      HIS  28   6.636  10.019  -7.800
  206    HB3  HIS  28           2HB      HIS  28   8.301   9.574  -7.444
  207    HD1  HIS  28           1HD      HIS  28   5.833   9.248 -10.410
  208    HD2  HIS  28           2HD      HIS  28   9.924   9.158  -9.451
  209    HE1  HIS  28           1HE      HIS  28   7.053   9.002 -12.615
  210    H    LEU  29           H        LEU  29   9.276   7.170  -6.730
  211    HA   LEU  29           HA       LEU  29  10.258   5.831  -8.994
  212    HB2  LEU  29           1HB      LEU  29  11.004   5.620  -6.056
  213    HB3  LEU  29           2HB      LEU  29  11.892   4.777  -7.306
  214    HG   LEU  29           HG       LEU  29  11.570   7.800  -7.289
  215   HD11  LEU  29          1HD1      LEU  29  13.900   6.058  -6.386
  216   HD12  LEU  29          2HD1      LEU  29  12.852   7.030  -5.329
  217   HD13  LEU  29          3HD1      LEU  29  13.908   7.832  -6.502
  218   HD21  LEU  29          3HD2      LEU  29  13.504   7.722  -8.848
  219   HD22  LEU  29          1HD2      LEU  29  12.061   6.981  -9.523
  220   HD23  LEU  29          2HD2      LEU  29  13.369   5.950  -8.891
  221    H    ARG  30           H        ARG  30   8.015   4.528  -6.681
  222    HA   ARG  30           HA       ARG  30   8.252   1.737  -6.962
  223    HB2  ARG  30           1HB      ARG  30   5.845   3.596  -6.915
  224    HB3  ARG  30           2HB      ARG  30   5.673   1.840  -6.907
  225    HG2  ARG  30           1HG      ARG  30   6.782   1.594  -4.820
  226    HG3  ARG  30           2HG      ARG  30   7.370   3.256  -4.821
  227    HD2  ARG  30           1HD      ARG  30   5.459   2.794  -3.252
  228    HD3  ARG  30           2HD      ARG  30   5.239   4.157  -4.325
  229    HE   ARG  30           HE       ARG  30   3.821   1.551  -4.445
  230   HH11  ARG  30          2HH1      ARG  30   4.127   4.773  -5.875
  231   HH12  ARG  30          1HH1      ARG  30   2.545   4.667  -6.596
  232   HH21  ARG  30          2HH2      ARG  30   1.847   1.513  -5.444
  233   HH22  ARG  30          1HH2      ARG  30   1.312   2.874  -6.384
  234    H    ILE  31           H        ILE  31   7.021   4.003  -9.475
  235    HA   ILE  31           HA       ILE  31   6.026   1.873 -11.145
  236    HB   ILE  31           HB       ILE  31   5.580   3.426 -12.778
  237   HG12  ILE  31          1HG1      ILE  31   7.395   5.464 -11.446
  238   HG13  ILE  31          2HG1      ILE  31   7.671   4.632 -12.973
  239   HG21  ILE  31          1HG2      ILE  31   5.131   4.921 -10.167
  240   HG22  ILE  31          2HG2      ILE  31   4.114   4.936 -11.620
  241   HG23  ILE  31          3HG2      ILE  31   4.228   3.466 -10.651
  242   HD11  ILE  31          3HD1      ILE  31   5.498   6.663 -12.412
  243   HD12  ILE  31          1HD1      ILE  31   6.879   6.800 -13.518
  244   HD13  ILE  31          2HD1      ILE  31   5.573   5.657 -13.882
  245    H    HIS  32           H        HIS  32   9.188   3.198 -10.770
  246    HA   HIS  32           HA       HIS  32  10.230   1.845 -13.221
  247    HB2  HIS  32           1HB      HIS  32  11.684   3.706 -11.322
  248    HB3  HIS  32           2HB      HIS  32  12.175   3.216 -12.935
  249    HD1  HIS  32           1HD      HIS  32  10.347   4.260 -14.953
  250    HD2  HIS  32           2HD      HIS  32  10.735   6.048 -11.179
  251    HE1  HIS  32           1HE      HIS  32   9.612   6.675 -15.252
  252    H    THR  33           H        THR  33  10.330   1.678  -9.721
  253    HA   THR  33           HA       THR  33  12.692  -0.109  -9.697
  254    HB   THR  33           HB       THR  33  11.482   1.255  -7.286
  255    HG1  THR  33           1HG      THR  33  11.805   2.867  -8.724
  256   HG21  THR  33          3HG2      THR  33  14.349   0.494  -8.014
  257   HG22  THR  33          1HG2      THR  33  13.354  -0.267  -6.753
  258   HG23  THR  33          2HG2      THR  33  13.857   1.413  -6.573
  259    H    ASN  34           H        ASN  34   9.775  -0.992 -10.186
  260    HA   ASN  34           HA       ASN  34   9.281  -2.873  -7.992
  261    HB2  ASN  34           1HB      ASN  34   7.392  -3.655  -9.431
  262    HB3  ASN  34           2HB      ASN  34   7.342  -1.967  -8.955
  263   HD21  ASN  34          1HD2      ASN  34   7.549  -0.342 -10.506
  264   HD22  ASN  34          2HD2      ASN  34   7.521  -0.687 -12.236
  265    H    GLU  35           H        GLU  35  11.641  -3.531  -8.327
  266    HA   GLU  35           HA       GLU  35  12.167  -5.514 -10.403
  267    HB2  GLU  35           1HB      GLU  35  14.359  -5.682  -9.414
  268    HB3  GLU  35           2HB      GLU  35  13.898  -3.994  -9.601
  269    HG2  GLU  35           1HG      GLU  35  13.360  -3.844  -7.190
  270    HG3  GLU  35           2HG      GLU  35  13.728  -5.555  -6.983
  271    H    LYS  36           H        LYS  36  10.329  -5.842  -7.695
  272    HA   LYS  36           HA       LYS  36  11.110  -8.296  -6.481
  273    HB2  LYS  36           1HB      LYS  36   8.374  -7.025  -6.839
  274    HB3  LYS  36           2HB      LYS  36   8.709  -8.413  -5.799
  275    HG2  LYS  36           1HG      LYS  36  10.341  -7.035  -4.507
  276    HG3  LYS  36           2HG      LYS  36   9.922  -5.631  -5.510
  277    HD2  LYS  36           1HD      LYS  36   7.515  -5.923  -4.786
  278    HD3  LYS  36           2HD      LYS  36   8.052  -7.156  -3.641
  279    HE2  LYS  36           1HE      LYS  36   8.990  -4.247  -3.708
  280    HE3  LYS  36           2HE      LYS  36   7.735  -4.879  -2.642
  281    HZ1  LYS  36           3HZ      LYS  36  10.582  -5.734  -2.600
  282    HZ2  LYS  36           1HZ      LYS  36   9.409  -6.336  -1.627
  283    HZ3  LYS  36           2HZ      LYS  36   9.858  -4.776  -1.501
  284    HA   PRO  37           HA       PRO  37  10.637 -10.929  -9.949
  285    HB2  PRO  37           1HB      PRO  37  10.802 -13.428  -8.801
  286    HB3  PRO  37           2HB      PRO  37  12.169 -12.286  -8.924
  287    HG2  PRO  37           1HG      PRO  37  10.322 -12.703  -6.549
  288    HG3  PRO  37           2HG      PRO  37  12.117 -12.693  -6.567
  289    HD2  PRO  37           1HD      PRO  37  10.734 -10.464  -5.907
  290    HD3  PRO  37           2HD      PRO  37  12.185 -10.348  -6.943
  291    H    TYR  38           H        TYR  38   8.383 -11.736  -7.271
  292    HA   TYR  38           HA       TYR  38   6.779 -13.403  -9.090
  293    HB2  TYR  38           1HB      TYR  38   6.371 -12.894  -6.151
  294    HB3  TYR  38           2HB      TYR  38   5.692 -14.193  -7.116
  295    HD1  TYR  38           1HD      TYR  38   7.903 -15.356  -8.604
  296    HD2  TYR  38           2HD      TYR  38   7.837 -13.761  -4.602
  297    HE1  TYR  38           1HE      TYR  38   9.871 -16.760  -8.011
  298    HE2  TYR  38           2HE      TYR  38   9.764 -15.228  -3.989
  299    HH   TYR  38           HH       TYR  38  11.339 -16.715  -4.744
  300    H    LYS  39           H        LYS  39   5.904 -11.930 -10.498
  301    HA   LYS  39           HA       LYS  39   4.114  -9.806  -9.485
  302    HB2  LYS  39           1HB      LYS  39   5.223 -10.427 -12.234
  303    HB3  LYS  39           2HB      LYS  39   4.001  -9.174 -11.925
  304    HG2  LYS  39           1HG      LYS  39   5.476  -8.119 -10.282
  305    HG3  LYS  39           2HG      LYS  39   6.728  -9.336 -10.563
  306    HD2  LYS  39           1HD      LYS  39   6.950  -8.534 -12.902
  307    HD3  LYS  39           2HD      LYS  39   5.700  -7.299 -12.585
  308    HE2  LYS  39           1HE      LYS  39   7.095  -6.450 -10.669
  309    HE3  LYS  39           2HE      LYS  39   8.353  -7.612 -11.093
  310    HZ1  LYS  39           3HZ      LYS  39   8.801  -5.425 -11.984
  311    HZ2  LYS  39           1HZ      LYS  39   7.413  -5.385 -12.824
  312    HZ3  LYS  39           2HZ      LYS  39   8.582  -6.466 -13.238
  313    H    CYS  40           H        CYS  40   2.017  -9.592  -9.835
  314    HA   CYS  40           HA       CYS  40   0.442 -11.964  -9.810
  315    HB2  CYS  40           1HB      CYS  40  -0.044 -10.010  -8.520
  316    HB3  CYS  40           2HB      CYS  40  -0.229  -9.017  -9.978
  317    HA   PRO  41           HA       PRO  41  -0.415 -12.249 -14.250
  318    HB2  PRO  41           1HB      PRO  41  -2.337 -14.185 -14.230
  319    HB3  PRO  41           2HB      PRO  41  -0.615 -14.526 -13.880
  320    HG2  PRO  41           1HG      PRO  41  -2.862 -14.070 -11.891
  321    HG3  PRO  41           2HG      PRO  41  -1.650 -15.388 -11.907
  322    HD2  PRO  41           1HD      PRO  41  -1.362 -13.126 -10.385
  323    HD3  PRO  41           2HD      PRO  41   0.043 -13.966 -11.107
  324    H    GLN  42           H        GLN  42  -2.542 -11.023 -11.820
  325    HA   GLN  42           HA       GLN  42  -4.604 -10.239 -13.846
  326    HB2  GLN  42           1HB      GLN  42  -4.835 -10.620 -10.852
  327    HB3  GLN  42           2HB      GLN  42  -6.135 -10.066 -11.898
  328    HG2  GLN  42           1HG      GLN  42  -4.765 -12.786 -12.073
  329    HG3  GLN  42           2HG      GLN  42  -6.296 -12.467 -11.288
  330   HE21  GLN  42          1HE2      GLN  42  -6.180 -14.410 -13.271
  331   HE22  GLN  42          2HE2      GLN  42  -7.040 -13.815 -14.683
  332    H    CYS  43           H        CYS  43  -2.373  -8.800 -11.395
  333    HA   CYS  43           HA       CYS  43  -3.159  -6.153 -12.464
  334    HB2  CYS  43           1HB      CYS  43  -3.591  -5.224 -10.295
  335    HB3  CYS  43           2HB      CYS  43  -4.641  -6.609 -10.542
  336    H    SER  44           H        SER  44  -1.790  -4.460 -11.017
  337    HA   SER  44           HA       SER  44   0.941  -4.810 -11.875
  338    HB2  SER  44           1HB      SER  44  -0.248  -2.635 -10.118
  339    HB3  SER  44           2HB      SER  44   1.266  -2.547 -11.032
  340    HG   SER  44           HG       SER  44   0.060  -2.688 -12.960
  341    H    TYR  45           H        TYR  45  -0.446  -6.114  -9.147
  342    HA   TYR  45           HA       TYR  45   1.338  -5.546  -7.033
  343    HB2  TYR  45           1HB      TYR  45  -0.809  -6.607  -6.728
  344    HB3  TYR  45           2HB      TYR  45  -0.340  -7.979  -7.720
  345    HD1  TYR  45           1HD      TYR  45   1.309  -9.677  -6.787
  346    HD2  TYR  45           2HD      TYR  45  -0.108  -6.356  -4.422
  347    HE1  TYR  45           1HE      TYR  45   2.157 -10.781  -4.723
  348    HE2  TYR  45           2HE      TYR  45   0.718  -7.477  -2.361
  349    HH   TYR  45           HH       TYR  45   1.757  -9.303  -1.482
  350    H    ALA  46           H        ALA  46   3.164  -6.426  -6.297
  351    HA   ALA  46           HA       ALA  46   4.361  -8.797  -7.549
  352    HB1  ALA  46           1HB      ALA  46   6.473  -7.804  -8.000
  353    HB2  ALA  46           2HB      ALA  46   5.277  -6.686  -8.693
  354    HB3  ALA  46           3HB      ALA  46   6.040  -6.295  -7.147
  355    H    SER  47           H        SER  47   5.658 -10.024  -6.164
  356    HA   SER  47           HA       SER  47   6.349  -8.897  -3.495
  357    HB2  SER  47           1HB      SER  47   5.664 -10.851  -2.336
  358    HB3  SER  47           2HB      SER  47   4.290 -10.308  -3.308
  359    HG   SER  47           HG       SER  47   5.143 -12.694  -3.301
  360    H    ALA  48           H        ALA  48   8.061  -9.935  -2.384
  361    HA   ALA  48           HA       ALA  48  10.082 -11.271  -4.099
  362    HB1  ALA  48           1HB      ALA  48  10.291 -10.074  -1.311
  363    HB2  ALA  48           2HB      ALA  48  11.629 -10.705  -2.293
  364    HB3  ALA  48           3HB      ALA  48  10.744  -9.268  -2.835
  365    H    ILE  49           H        ILE  49   7.537 -12.266  -2.261
  366    HA   ILE  49           HA       ILE  49   8.767 -14.851  -1.419
  367    HB   ILE  49           HB       ILE  49   6.808 -13.117   0.138
  368   HG12  ILE  49          1HG1      ILE  49   9.690 -13.939   0.680
  369   HG13  ILE  49          2HG1      ILE  49   9.099 -12.314   0.343
  370   HG21  ILE  49          1HG2      ILE  49   6.198 -15.503   0.347
  371   HG22  ILE  49          2HG2      ILE  49   7.870 -15.895   0.826
  372   HG23  ILE  49          3HG2      ILE  49   6.819 -14.888   1.850
  373   HD11  ILE  49          3HD1      ILE  49   9.522 -12.425   2.676
  374   HD12  ILE  49          1HD1      ILE  49   7.758 -12.399   2.468
  375   HD13  ILE  49          2HD1      ILE  49   8.598 -13.922   2.862
  376    H    LYS  50           H        LYS  50   7.779 -16.516  -2.363
  377    HA   LYS  50           HA       LYS  50   5.628 -16.227  -4.212
  378    HB2  LYS  50           1HB      LYS  50   6.781 -18.715  -2.877
  379    HB3  LYS  50           2HB      LYS  50   5.630 -18.735  -4.229
  380    HG2  LYS  50           1HG      LYS  50   7.304 -17.414  -5.577
  381    HG3  LYS  50           2HG      LYS  50   8.434 -17.592  -4.220
  382    HD2  LYS  50           1HD      LYS  50   9.006 -19.226  -5.852
  383    HD3  LYS  50           2HD      LYS  50   8.312 -20.069  -4.460
  384    HE2  LYS  50           1HE      LYS  50   6.139 -20.254  -5.664
  385    HE3  LYS  50           2HE      LYS  50   6.816 -19.356  -7.029
  386    HZ1  LYS  50           3HZ      LYS  50   6.895 -21.754  -7.414
  387    HZ2  LYS  50           1HZ      LYS  50   7.794 -21.998  -6.075
  388    HZ3  LYS  50           2HZ      LYS  50   8.415 -21.171  -7.340
  389    H    ALA  51           H        ALA  51   5.549 -17.344  -0.842
  390    HA   ALA  51           HA       ALA  51   2.823 -18.129  -0.750
  391    HB1  ALA  51           1HB      ALA  51   3.094 -17.926   1.681
  392    HB2  ALA  51           2HB      ALA  51   4.512 -18.704   0.955
  393    HB3  ALA  51           3HB      ALA  51   4.589 -16.999   1.463
  394    H    ASN  52           H        ASN  52   4.260 -14.861  -0.551
  395    HA   ASN  52           HA       ASN  52   1.818 -13.604   0.411
  396    HB2  ASN  52           1HB      ASN  52   4.343 -12.464  -0.865
  397    HB3  ASN  52           2HB      ASN  52   3.007 -11.496  -0.271
  398   HD21  ASN  52          1HD2      ASN  52   5.078 -10.670   0.920
  399   HD22  ASN  52          2HD2      ASN  52   5.298 -11.385   2.509
  400    H    LEU  53           H        LEU  53   3.239 -14.113  -2.867
  401    HA   LEU  53           HA       LEU  53   1.082 -12.836  -4.268
  402    HB2  LEU  53           1HB      LEU  53   3.215 -13.248  -5.348
  403    HB3  LEU  53           2HB      LEU  53   3.062 -14.988  -5.096
  404    HG   LEU  53           HG       LEU  53   1.133 -15.073  -6.638
  405   HD11  LEU  53          1HD1      LEU  53   0.237 -12.767  -6.321
  406   HD12  LEU  53          2HD1      LEU  53   0.524 -13.150  -8.012
  407   HD13  LEU  53          3HD1      LEU  53   1.679 -12.114  -7.135
  408   HD21  LEU  53          3HD2      LEU  53   3.504 -13.613  -7.840
  409   HD22  LEU  53          1HD2      LEU  53   2.345 -14.639  -8.706
  410   HD23  LEU  53          2HD2      LEU  53   3.430 -15.357  -7.501
  411    H    ASN  54           H        ASN  54   1.588 -16.235  -3.212
  412    HA   ASN  54           HA       ASN  54  -0.752 -17.360  -4.308
  413    HB2  ASN  54           1HB      ASN  54   1.080 -18.656  -3.323
  414    HB3  ASN  54           2HB      ASN  54   0.706 -18.028  -1.722
  415   HD21  ASN  54          1HD2      ASN  54  -0.699 -19.219  -0.466
  416   HD22  ASN  54          2HD2      ASN  54  -1.708 -20.502  -1.106
  417    H    VAL  55           H        VAL  55  -0.414 -15.709  -1.120
  418    HA   VAL  55           HA       VAL  55  -3.240 -15.891  -0.470
  419    HB   VAL  55           HB       VAL  55  -1.037 -14.124   0.579
  420   HG11  VAL  55          1HG1      VAL  55  -3.148 -12.985   1.078
  421   HG12  VAL  55          2HG1      VAL  55  -3.858 -14.506   1.670
  422   HG13  VAL  55          3HG1      VAL  55  -2.524 -13.727   2.549
  423   HG21  VAL  55          3HG2      VAL  55  -2.398 -16.580   1.776
  424   HG22  VAL  55          1HG2      VAL  55  -0.782 -16.562   1.049
  425   HG23  VAL  55          2HG2      VAL  55  -1.085 -15.636   2.519
  426    H    HIS  56           H        HIS  56  -1.278 -13.311  -2.061
  427    HA   HIS  56           HA       HIS  56  -3.315 -11.351  -2.235
  428    HB2  HIS  56           1HB      HIS  56  -1.031 -10.804  -2.753
  429    HB3  HIS  56           2HB      HIS  56  -0.961 -12.012  -4.037
  430    HD1  HIS  56           1HD      HIS  56  -2.649  -8.602  -3.372
  431    HD2  HIS  56           2HD      HIS  56  -1.807 -11.363  -6.426
  432    HE1  HIS  56           1HE      HIS  56  -3.432  -7.512  -5.521
  433    H    LEU  57           H        LEU  57  -2.775 -14.140  -4.426
  434    HA   LEU  57           HA       LEU  57  -4.678 -13.418  -6.409
  435    HB2  LEU  57           1HB      LEU  57  -3.699 -16.064  -5.364
  436    HB3  LEU  57           2HB      LEU  57  -4.765 -15.967  -6.758
  437    HG   LEU  57           HG       LEU  57  -2.134 -14.432  -6.701
  438   HD11  LEU  57          1HD1      LEU  57  -1.692 -16.794  -6.226
  439   HD12  LEU  57          2HD1      LEU  57  -1.107 -16.331  -7.840
  440   HD13  LEU  57          3HD1      LEU  57  -2.617 -17.273  -7.664
  441   HD21  LEU  57          3HD2      LEU  57  -2.331 -14.679  -9.150
  442   HD22  LEU  57          1HD2      LEU  57  -3.699 -13.785  -8.476
  443   HD23  LEU  57          2HD2      LEU  57  -3.896 -15.488  -8.953
  444    H    ARG  58           H        ARG  58  -5.257 -14.848  -3.225
  445    HA   ARG  58           HA       ARG  58  -8.054 -15.507  -3.619
  446    HB2  ARG  58           1HB      ARG  58  -6.506 -14.807  -1.082
  447    HB3  ARG  58           2HB      ARG  58  -8.209 -15.168  -1.100
  448    HG2  ARG  58           1HG      ARG  58  -7.142 -17.134  -0.450
  449    HG3  ARG  58           2HG      ARG  58  -7.776 -17.396  -2.076
  450    HD2  ARG  58           1HD      ARG  58  -5.485 -17.102  -2.989
  451    HD3  ARG  58           2HD      ARG  58  -4.869 -16.846  -1.342
  452    HE   ARG  58           HE       ARG  58  -6.128 -19.234  -1.066
  453   HH11  ARG  58          2HH1      ARG  58  -3.733 -18.237  -3.378
  454   HH12  ARG  58          1HH1      ARG  58  -3.216 -19.865  -3.702
  455   HH21  ARG  58          2HH2      ARG  58  -5.462 -21.306  -1.545
  456   HH22  ARG  58          1HH2      ARG  58  -4.252 -21.562  -2.769
  457    H    LYS  59           H        LYS  59  -6.542 -12.377  -3.307
  458    HA   LYS  59           HA       LYS  59  -9.012 -10.969  -2.563
  459    HB2  LYS  59           1HB      LYS  59  -6.415  -9.824  -3.667
  460    HB3  LYS  59           2HB      LYS  59  -7.735  -8.935  -2.910
  461    HG2  LYS  59           1HG      LYS  59  -7.359 -10.244  -0.792
  462    HG3  LYS  59           2HG      LYS  59  -5.935 -10.989  -1.547
  463    HD2  LYS  59           1HD      LYS  59  -4.903  -8.756  -1.829
  464    HD3  LYS  59           2HD      LYS  59  -6.334  -8.001  -1.087
  465    HE2  LYS  59           1HE      LYS  59  -5.943  -9.353   0.982
  466    HE3  LYS  59           2HE      LYS  59  -4.483 -10.030   0.252
  467    HZ1  LYS  59           3HZ      LYS  59  -3.567  -7.763   0.164
  468    HZ2  LYS  59           1HZ      LYS  59  -3.967  -8.146   1.698
  469    HZ3  LYS  59           2HZ      LYS  59  -4.923  -7.147   0.836
  470    H    HIS  60           H        HIS  60  -7.690 -12.132  -5.526
  471    HA   HIS  60           HA       HIS  60  -9.466 -10.496  -7.231
  472    HB2  HIS  60           1HB      HIS  60  -7.564 -12.777  -7.864
  473    HB3  HIS  60           2HB      HIS  60  -8.586 -11.957  -9.038
  474    HD1  HIS  60           1HD      HIS  60  -8.141  -9.128  -9.098
  475    HD2  HIS  60           2HD      HIS  60  -5.180 -11.700  -7.570
  476    HE1  HIS  60           1HE      HIS  60  -5.999  -7.785  -9.115
  477    H    THR  61           H        THR  61 -11.348 -11.038  -6.031
  478    HA   THR  61           HA       THR  61 -12.324 -13.742  -5.768
  479    HB   THR  61           HB       THR  61 -14.263 -12.557  -4.669
  480    HG1  THR  61           1HG      THR  61 -14.151 -10.631  -5.822
  481   HG21  THR  61          3HG2      THR  61 -11.490 -11.693  -3.747
  482   HG22  THR  61          1HG2      THR  61 -12.268 -13.242  -3.380
  483   HG23  THR  61          2HG2      THR  61 -12.973 -11.734  -2.765
  484    H    GLY  62           H        GLY  62 -12.091 -13.649  -8.402
  485    HA2  GLY  62           1HA      GLY  62 -13.251 -13.997 -10.392
  486    HA3  GLY  62           2HA      GLY  62 -14.784 -13.847  -9.524
  487    H    GLU  63           H        GLU  63 -12.178 -11.484  -9.626
  488    HA   GLU  63           HA       GLU  63 -12.011  -9.304 -10.088
  489    HB2  GLU  63           1HB      GLU  63 -14.024  -9.790 -12.303
  490    HB3  GLU  63           2HB      GLU  63 -13.118  -8.304 -12.058
  491    HG2  GLU  63           1HG      GLU  63 -10.985  -9.501 -12.309
  492    HG3  GLU  63           2HG      GLU  63 -11.847 -11.021 -12.536
  493    H    LYS  64           H        LYS  64 -12.994  -7.194 -10.154
  494    HA   LYS  64           HA       LYS  64 -15.385  -6.936  -8.378
  495    HB2  LYS  64           1HB      LYS  64 -12.628  -5.696  -8.035
  496    HB3  LYS  64           2HB      LYS  64 -14.082  -5.044  -7.273
  497    HG2  LYS  64           1HG      LYS  64 -14.485  -7.172  -6.115
  498    HG3  LYS  64           2HG      LYS  64 -13.018  -7.869  -6.833
  499    HD2  LYS  64           1HD      LYS  64 -11.590  -6.305  -5.672
  500    HD3  LYS  64           2HD      LYS  64 -12.961  -5.289  -5.222
  501    HE2  LYS  64           1HE      LYS  64 -12.309  -6.421  -3.266
  502    HE3  LYS  64           2HE      LYS  64 -13.860  -7.085  -3.787
  503    HZ1  LYS  64           3HZ      LYS  64 -12.729  -9.052  -4.601
  504    HZ2  LYS  64           1HZ      LYS  64 -12.213  -8.793  -3.086
  505    HZ3  LYS  64           2HZ      LYS  64 -11.239  -8.418  -4.339
  506    H    PHE  65           H        PHE  65 -16.484  -5.003  -8.494
  507    HA   PHE  65           HA       PHE  65 -15.923  -3.137 -10.755
  508    HB2  PHE  65           1HB      PHE  65 -18.651  -4.021  -9.746
  509    HB3  PHE  65           2HB      PHE  65 -18.299  -2.992 -11.128
  510    HD1  PHE  65           2HD      PHE  65 -17.218  -3.978 -13.197
  511    HD2  PHE  65           1HD      PHE  65 -18.574  -6.423  -9.918
  512    HE1  PHE  65           2HE      PHE  65 -17.112  -5.991 -14.650
  513    HE2  PHE  65           1HE      PHE  65 -18.486  -8.435 -11.377
  514    HZ   PHE  65           HZ       PHE  65 -17.756  -8.220 -13.745
  515    H    ALA  66           H        ALA  66 -16.594  -0.919 -10.358
  516    HA   ALA  66           HA       ALA  66 -16.951  -0.195  -7.485
  517    HB1  ALA  66           1HB      ALA  66 -14.880   0.979  -9.379
  518    HB2  ALA  66           2HB      ALA  66 -15.172   1.463  -7.695
  519    HB3  ALA  66           3HB      ALA  66 -14.542  -0.156  -8.055
  520    H    CYS  67           H        CYS  67 -18.004   1.657  -7.022
  521    HA   CYS  67           HA       CYS  67 -19.964   2.634  -8.860
  522    HB2  CYS  67           1HB      CYS  67 -20.195   2.352  -6.421
  523    HB3  CYS  67           2HB      CYS  67 -19.036   3.661  -6.154
  524    H    ASP  68           H        ASP  68 -20.224   4.603  -9.803
  525    HA   ASP  68           HA       ASP  68 -17.775   6.159 -10.451
  526    HB2  ASP  68           1HB      ASP  68 -19.276   5.229 -12.246
  527    HB3  ASP  68           2HB      ASP  68 -20.546   6.312 -11.681
  528    H    TYR  69           H        TYR  69 -20.279   6.292  -8.220
  529    HA   TYR  69           HA       TYR  69 -20.358   9.286  -8.097
  530    HB2  TYR  69           1HB      TYR  69 -22.421   7.265  -7.237
  531    HB3  TYR  69           2HB      TYR  69 -22.602   9.012  -7.196
  532    HD1  TYR  69           1HD      TYR  69 -22.949  10.291  -9.293
  533    HD2  TYR  69           2HD      TYR  69 -22.581   5.992  -9.307
  534    HE1  TYR  69           1HE      TYR  69 -23.827  10.218 -11.623
  535    HE2  TYR  69           2HE      TYR  69 -23.441   5.924 -11.640
  536    HH   TYR  69           HH       TYR  69 -24.108   7.144 -13.453
  537    H    CYS  70           H        CYS  70 -19.554   6.423  -6.265
  538    HA   CYS  70           HA       CYS  70 -18.593   8.070  -4.057
  539    HB2  CYS  70           1HB      CYS  70 -19.688   6.932  -2.285
  540    HB3  CYS  70           2HB      CYS  70 -20.907   7.543  -3.384
  541    H    SER  71           H        SER  71 -17.778   6.151  -2.310
  542    HA   SER  71           HA       SER  71 -15.529   4.914  -3.717
  543    HB2  SER  71           1HB      SER  71 -16.189   4.961  -0.753
  544    HB3  SER  71           2HB      SER  71 -14.643   4.492  -1.485
  545    HG   SER  71           HG       SER  71 -14.631   6.670  -0.754
  546    H    PHE  72           H        PHE  72 -18.578   3.712  -3.284
  547    HA   PHE  72           HA       PHE  72 -18.221   1.184  -2.062
  548    HB2  PHE  72           1HB      PHE  72 -20.371   2.257  -2.347
  549    HB3  PHE  72           2HB      PHE  72 -20.217   2.202  -4.094
  550    HD1  PHE  72           1HD      PHE  72 -20.651   0.049  -1.062
  551    HD2  PHE  72           2HD      PHE  72 -20.965   0.340  -5.350
  552    HE1  PHE  72           1HE      PHE  72 -21.903  -2.099  -1.122
  553    HE2  PHE  72           2HE      PHE  72 -22.235  -1.792  -5.406
  554    HZ   PHE  72           HZ       PHE  72 -22.697  -3.020  -3.293
  555    H    THR  73           H        THR  73 -17.929  -0.883  -2.768
  556    HA   THR  73           HA       THR  73 -17.332  -1.434  -5.623
  557    HB   THR  73           HB       THR  73 -15.655  -3.136  -4.886
  558    HG1  THR  73           1HG      THR  73 -14.739  -2.837  -2.828
  559   HG21  THR  73          3HG2      THR  73 -14.894  -0.289  -4.131
  560   HG22  THR  73          1HG2      THR  73 -14.912  -0.958  -5.779
  561   HG23  THR  73          2HG2      THR  73 -13.794  -1.620  -4.575
  562    H    CYS  74           H        CYS  74 -17.789  -3.535  -6.346
  563    HA   CYS  74           HA       CYS  74 -19.226  -5.387  -4.541
  564    HB2  CYS  74           1HB      CYS  74 -20.871  -3.717  -5.577
  565    HB3  CYS  74           2HB      CYS  74 -20.488  -4.437  -7.149
  566    HG   CYS  74           HG       CYS  74 -21.704  -5.834  -4.380
  567    H    LEU  75           H        LEU  75 -19.486  -7.516  -5.421
  568    HA   LEU  75           HA       LEU  75 -17.420  -8.327  -7.386
  569    HB2  LEU  75           1HB      LEU  75 -19.149  -9.765  -5.355
  570    HB3  LEU  75           2HB      LEU  75 -18.361 -10.648  -6.650
  571    HG   LEU  75           HG       LEU  75 -16.151  -9.904  -5.937
  572   HD11  LEU  75          1HD1      LEU  75 -17.585  -8.560  -3.608
  573   HD12  LEU  75          2HD1      LEU  75 -16.566  -7.769  -4.837
  574   HD13  LEU  75          3HD1      LEU  75 -15.838  -8.884  -3.683
  575   HD21  LEU  75          3HD2      LEU  75 -17.096 -11.998  -5.068
  576   HD22  LEU  75          1HD2      LEU  75 -17.846 -11.120  -3.713
  577   HD23  LEU  75          2HD2      LEU  75 -16.078 -11.228  -3.841
  578    H    SER  76           H        SER  76 -20.532  -7.241  -7.686
  579    HA   SER  76           HA       SER  76 -20.980  -8.706 -10.248
  580    HB2  SER  76           1HB      SER  76 -22.411  -9.827  -8.681
  581    HB3  SER  76           2HB      SER  76 -22.921  -8.297  -7.964
  582    HG   SER  76           HG       SER  76 -23.628  -9.409 -10.471
  583    H    LYS  77           H        LYS  77 -21.292  -7.350 -11.885
  584    HA   LYS  77           HA       LYS  77 -21.644  -4.504 -11.561
  585    HB2  LYS  77           1HB      LYS  77 -21.787  -4.417 -13.977
  586    HB3  LYS  77           2HB      LYS  77 -20.438  -5.416 -13.443
  587    HG2  LYS  77           1HG      LYS  77 -21.717  -7.472 -13.973
  588    HG3  LYS  77           2HG      LYS  77 -23.128  -6.501 -14.403
  589    HD2  LYS  77           1HD      LYS  77 -22.032  -7.217 -16.416
  590    HD3  LYS  77           2HD      LYS  77 -21.874  -5.463 -16.263
  591    HE2  LYS  77           1HE      LYS  77 -19.555  -5.740 -15.416
  592    HE3  LYS  77           2HE      LYS  77 -19.724  -7.499 -15.508
  593    HZ1  LYS  77           3HZ      LYS  77 -19.857  -5.650 -17.835
  594    HZ2  LYS  77           1HZ      LYS  77 -20.014  -7.275 -17.922
  595    HZ3  LYS  77           2HZ      LYS  77 -18.593  -6.614 -17.469
  596    H    GLY  78           H        GLY  78 -23.950  -7.123 -11.871
  597    HA2  GLY  78           1HA      GLY  78 -26.287  -5.525 -12.510
  598    HA3  GLY  78           2HA      GLY  78 -26.264  -7.152 -11.813
  599    H    HIS  79           H        HIS  79 -24.896  -6.764  -9.420
  600    HA   HIS  79           HA       HIS  79 -26.865  -5.435  -7.751
  601    HB2  HIS  79           1HB      HIS  79 -24.129  -6.599  -7.156
  602    HB3  HIS  79           2HB      HIS  79 -25.210  -5.945  -5.930
  603    HD1  HIS  79           1HD      HIS  79 -25.119  -8.893  -8.455
  604    HD2  HIS  79           2HD      HIS  79 -27.171  -7.477  -5.059
  605    HE1  HIS  79           1HE      HIS  79 -26.657 -10.786  -7.704
  606    H    LEU  80           H        LEU  80 -23.646  -4.455  -8.986
  607    HA   LEU  80           HA       LEU  80 -23.543  -1.951  -7.620
  608    HB2  LEU  80           1HB      LEU  80 -21.611  -2.996  -8.733
  609    HB3  LEU  80           2HB      LEU  80 -22.390  -2.786 -10.303
  610    HG   LEU  80           HG       LEU  80 -22.285  -0.323 -10.056
  611   HD11  LEU  80          1HD1      LEU  80 -22.318  -0.087  -7.602
  612   HD12  LEU  80          2HD1      LEU  80 -20.869   0.652  -8.268
  613   HD13  LEU  80          3HD1      LEU  80 -20.756  -0.939  -7.486
  614   HD21  LEU  80          3HD2      LEU  80 -19.599  -1.646  -9.563
  615   HD22  LEU  80          1HD2      LEU  80 -19.910  -0.103 -10.394
  616   HD23  LEU  80          2HD2      LEU  80 -20.446  -1.617 -11.130
  617    H    LYS  81           H        LYS  81 -25.079  -2.818 -10.775
  618    HA   LYS  81           HA       LYS  81 -25.986  -0.187 -11.416
  619    HB2  LYS  81           1HB      LYS  81 -25.998  -2.127 -12.973
  620    HB3  LYS  81           2HB      LYS  81 -27.335  -2.845 -12.061
  621    HG2  LYS  81           1HG      LYS  81 -28.755  -0.880 -12.578
  622    HG3  LYS  81           2HG      LYS  81 -27.408  -0.136 -13.460
  623    HD2  LYS  81           1HD      LYS  81 -27.418  -2.019 -15.070
  624    HD3  LYS  81           2HD      LYS  81 -28.741  -2.792 -14.163
  625    HE2  LYS  81           1HE      LYS  81 -30.174  -0.800 -14.572
  626    HE3  LYS  81           2HE      LYS  81 -28.865  -0.040 -15.485
  627    HZ1  LYS  81           3HZ      LYS  81 -30.450  -1.139 -16.958
  628    HZ2  LYS  81           1HZ      LYS  81 -30.214  -2.582 -16.234
  629    HZ3  LYS  81           2HZ      LYS  81 -29.002  -1.883 -17.081
  630    H    VAL  82           H        VAL  82 -27.538  -2.692  -9.353
  631    HA   VAL  82           HA       VAL  82 -29.805  -1.025  -8.694
  632    HB   VAL  82           HB       VAL  82 -28.655  -3.312  -7.060
  633   HG11  VAL  82          1HG1      VAL  82 -30.187  -1.891  -5.715
  634   HG12  VAL  82          2HG1      VAL  82 -31.405  -1.963  -7.007
  635   HG13  VAL  82          3HG1      VAL  82 -30.955  -3.428  -6.110
  636   HG21  VAL  82          3HG2      VAL  82 -30.470  -4.636  -8.111
  637   HG22  VAL  82          1HG2      VAL  82 -30.916  -3.238  -9.115
  638   HG23  VAL  82          2HG2      VAL  82 -29.348  -4.039  -9.332
  639    H    HIS  83           H        HIS  83 -26.599  -1.414  -7.004
  640    HA   HIS  83           HA       HIS  83 -27.101   0.454  -4.929
  641    HB2  HIS  83           1HB      HIS  83 -25.081  -0.812  -4.884
  642    HB3  HIS  83           2HB      HIS  83 -24.577  -0.233  -6.464
  643    HD1  HIS  83           1HD      HIS  83 -24.605   0.895  -2.820
  644    HD2  HIS  83           2HD      HIS  83 -23.477   2.206  -6.649
  645    HE1  HIS  83           1HE      HIS  83 -23.205   2.978  -2.451
  646    H    ILE  84           H        ILE  84 -25.990   1.143  -8.292
  647    HA   ILE  84           HA       ILE  84 -25.925   3.988  -7.941
  648    HB   ILE  84           HB       ILE  84 -26.091   2.243 -10.409
  649   HG12  ILE  84          1HG1      ILE  84 -23.820   3.918  -9.221
  650   HG13  ILE  84          2HG1      ILE  84 -24.019   2.201  -8.922
  651   HG21  ILE  84          1HG2      ILE  84 -25.711   5.269 -10.239
  652   HG22  ILE  84          2HG2      ILE  84 -25.494   4.287 -11.709
  653   HG23  ILE  84          3HG2      ILE  84 -27.087   4.417 -10.985
  654   HD11  ILE  84          3HD1      ILE  84 -23.784   1.736 -11.354
  655   HD12  ILE  84          1HD1      ILE  84 -23.410   3.460 -11.609
  656   HD13  ILE  84          2HD1      ILE  84 -22.351   2.467 -10.601
  657    H    GLU  85           H        GLU  85 -28.566   1.918  -9.262
  658    HA   GLU  85           HA       GLU  85 -30.386   4.043  -9.754
  659    HB2  GLU  85           1HB      GLU  85 -30.804   1.124  -9.008
  660    HB3  GLU  85           2HB      GLU  85 -32.146   2.214  -9.363
  661    HG2  GLU  85           1HG      GLU  85 -31.343   2.595 -11.619
  662    HG3  GLU  85           2HG      GLU  85 -29.925   1.586 -11.334
  663    H    ARG  86           H        ARG  86 -30.037   2.047  -6.776
  664    HA   ARG  86           HA       ARG  86 -32.307   3.489  -5.552
  665    HB2  ARG  86           1HB      ARG  86 -30.774   1.207  -4.305
  666    HB3  ARG  86           2HB      ARG  86 -32.413   1.742  -3.963
  667    HG2  ARG  86           1HG      ARG  86 -31.422   0.265  -6.412
  668    HG3  ARG  86           2HG      ARG  86 -32.471  -0.358  -5.164
  669    HD2  ARG  86           1HD      ARG  86 -34.327   0.867  -6.003
  670    HD3  ARG  86           2HD      ARG  86 -33.293   1.942  -6.955
  671    HE   ARG  86           HE       ARG  86 -33.081   0.360  -8.649
  672   HH11  ARG  86          2HH1      ARG  86 -34.807  -1.228  -6.027
  673   HH12  ARG  86          1HH1      ARG  86 -35.182  -2.599  -7.036
  674   HH21  ARG  86          2HH2      ARG  86 -33.537  -1.296  -9.794
  675   HH22  ARG  86          1HH2      ARG  86 -34.485  -2.648  -9.170
  676    H    VAL  87           H        VAL  87 -28.863   3.724  -5.271
  677    HA   VAL  87           HA       VAL  87 -29.172   5.370  -2.787
  678    HB   VAL  87           HB       VAL  87 -26.581   4.474  -4.082
  679   HG11  VAL  87          1HG1      VAL  87 -26.300   6.486  -2.715
  680   HG12  VAL  87          2HG1      VAL  87 -27.179   5.722  -1.371
  681   HG13  VAL  87          3HG1      VAL  87 -25.604   5.090  -1.897
  682   HG21  VAL  87          3HG2      VAL  87 -27.804   2.502  -3.216
  683   HG22  VAL  87          1HG2      VAL  87 -26.443   2.887  -2.164
  684   HG23  VAL  87          2HG2      VAL  87 -28.090   3.340  -1.676
  685    H    HIS  88           H        HIS  88 -27.915   5.652  -6.157
  686    HA   HIS  88           HA       HIS  88 -27.471   8.550  -5.646
  687    HB2  HIS  88           1HB      HIS  88 -26.403   6.759  -7.845
  688    HB3  HIS  88           2HB      HIS  88 -25.980   8.444  -7.573
  689    HD1  HIS  88           1HD      HIS  88 -24.934   8.817  -4.858
  690    HD2  HIS  88           2HD      HIS  88 -24.636   5.138  -6.860
  691    HE1  HIS  88           1HE      HIS  88 -23.038   7.562  -3.727
  692    H    LYS  89           H        LYS  89 -29.314   6.467  -7.873
  693    HA   LYS  89           HA       LYS  89 -30.467   8.902  -9.169
  694    HB2  LYS  89           1HB      LYS  89 -30.660   6.054 -10.163
  695    HB3  LYS  89           2HB      LYS  89 -31.112   7.532 -11.006
  696    HG2  LYS  89           1HG      LYS  89 -28.708   8.277 -10.828
  697    HG3  LYS  89           2HG      LYS  89 -28.292   6.663 -10.247
  698    HD2  LYS  89           1HD      LYS  89 -29.150   5.660 -12.322
  699    HD3  LYS  89           2HD      LYS  89 -29.626   7.250 -12.935
  700    HE2  LYS  89           1HE      LYS  89 -26.768   6.462 -12.197
  701    HE3  LYS  89           2HE      LYS  89 -27.429   6.352 -13.831
  702    HZ1  LYS  89           3HZ      LYS  89 -27.241   8.884 -12.286
  703    HZ2  LYS  89           1HZ      LYS  89 -27.748   8.741 -13.837
  704    HZ3  LYS  89           2HZ      LYS  89 -26.191   8.426 -13.441
  705    H    LYS  90           H        LYS  90 -31.264   7.714  -6.515
  706    HA   LYS  90           HA       LYS  90 -33.903   6.654  -6.704
  707    HB2  LYS  90           1HB      LYS  90 -34.007   6.958  -4.300
  708    HB3  LYS  90           2HB      LYS  90 -32.439   6.320  -4.785
  709    HG2  LYS  90           1HG      LYS  90 -31.493   8.662  -4.613
  710    HG3  LYS  90           2HG      LYS  90 -33.061   9.196  -3.978
  711    HD2  LYS  90           1HD      LYS  90 -32.840   7.532  -2.123
  712    HD3  LYS  90           2HD      LYS  90 -31.245   7.083  -2.727
  713    HE2  LYS  90           1HE      LYS  90 -32.081   9.831  -1.687
  714    HE3  LYS  90           2HE      LYS  90 -31.115   8.634  -0.822
  715    HZ1  LYS  90           3HZ      LYS  90 -29.620  10.201  -1.779
  716    HZ2  LYS  90           1HZ      LYS  90 -30.302  10.111  -3.258
  717    HZ3  LYS  90           2HZ      LYS  90 -29.457   8.839  -2.683
  718    H    ILE  91           H        ILE  91 -35.894   7.512  -6.039
  719    HA   ILE  91           HA       ILE  91 -36.337  10.430  -6.429
  720    HB   ILE  91           HB       ILE  91 -38.308   9.925  -7.791
  721   HG12  ILE  91          1HG1      ILE  91 -37.253   7.069  -8.002
  722   HG13  ILE  91          2HG1      ILE  91 -38.656   7.556  -7.046
  723   HG21  ILE  91          1HG2      ILE  91 -36.084  10.560  -8.762
  724   HG22  ILE  91          2HG2      ILE  91 -35.763   8.837  -9.059
  725   HG23  ILE  91          3HG2      ILE  91 -37.114   9.654  -9.870
  726   HD11  ILE  91          3HD1      ILE  91 -39.747   8.413  -9.124
  727   HD12  ILE  91          1HD1      ILE  91 -38.388   7.752 -10.067
  728   HD13  ILE  91          2HD1      ILE  91 -39.433   6.665  -9.138
  729    H    LYS  92           H        LYS  92 -38.442  11.178  -5.713
  730    HA   LYS  92           HA       LYS  92 -39.852   9.558  -3.669
  731    HB2  LYS  92           1HB      LYS  92 -38.055  10.850  -2.507
  732    HB3  LYS  92           2HB      LYS  92 -38.753  12.349  -3.140
  733    HG2  LYS  92           1HG      LYS  92 -40.864  11.886  -1.905
  734    HG3  LYS  92           2HG      LYS  92 -40.208  10.338  -1.358
  735    HD2  LYS  92           1HD      LYS  92 -40.053  11.932   0.439
  736    HD3  LYS  92           2HD      LYS  92 -38.418  11.542  -0.115
  737    HE2  LYS  92           1HE      LYS  92 -38.358  13.650  -1.429
  738    HE3  LYS  92           2HE      LYS  92 -40.015  14.015  -0.934
  739    HZ1  LYS  92           3HZ      LYS  92 -38.398  15.184   0.448
  740    HZ2  LYS  92           1HZ      LYS  92 -37.699  13.787   0.916
  741    HZ3  LYS  92           2HZ      LYS  92 -39.231  14.130   1.371
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  32.720  21.960  22.689
    2    H2   GLY   1           2H       GLY   1  31.574  22.686  23.606
    3    H3   GLY   1           3H       GLY   1  33.073  23.341  23.501
    4    HA2  GLY   1           1HA      GLY   1  31.527  24.603  22.157
    5    HA3  GLY   1           2HA      GLY   1  32.784  23.834  21.172
    6    H    SER   2           H        SER   2  30.035  24.684  20.441
    7    HA   SER   2           HA       SER   2  28.307  22.424  20.154
    8    HB2  SER   2           1HB      SER   2  28.394  24.994  18.532
    9    HB3  SER   2           2HB      SER   2  27.040  23.851  18.625
   10    HG   SER   2           HG       SER   2  26.785  25.632  20.065
   11    H    SER   3           H        SER   3  27.795  21.117  18.408
   12    HA   SER   3           HA       SER   3  29.928  20.322  16.666
   13    HB2  SER   3           1HB      SER   3  26.983  19.568  16.580
   14    HB3  SER   3           2HB      SER   3  28.311  18.719  15.765
   15    HG   SER   3           HG       SER   3  27.755  17.745  17.777
   16    H    GLY   4           H        GLY   4  30.182  20.450  14.450
   17    HA2  GLY   4           1HA      GLY   4  29.206  22.871  13.171
   18    HA3  GLY   4           2HA      GLY   4  30.371  21.716  12.532
   19    H    SER   5           H        SER   5  27.661  19.923  13.295
   20    HA   SER   5           HA       SER   5  26.184  18.745  12.070
   21    HB2  SER   5           1HB      SER   5  25.699  21.459  10.817
   22    HB3  SER   5           2HB      SER   5  24.747  20.031  10.414
   23    HG   SER   5           HG       SER   5  25.070  21.181  12.993
   24    H    SER   6           H        SER   6  29.032  19.266  10.785
   25    HA   SER   6           HA       SER   6  28.461  18.047   8.122
   26    HB2  SER   6           1HB      SER   6  30.624  19.026   7.469
   27    HB3  SER   6           2HB      SER   6  29.476  20.247   8.042
   28    HG   SER   6           HG       SER   6  31.580  20.525   8.948
   29    H    GLY   7           H        GLY   7  29.552  17.061  11.143
   30    HA2  GLY   7           1HA      GLY   7  31.930  15.630  10.571
   31    HA3  GLY   7           2HA      GLY   7  30.859  15.358  11.946
   32    H    LYS   8           H        LYS   8  28.589  14.641  10.065
   33    HA   LYS   8           HA       LYS   8  29.517  12.303   8.570
   34    HB2  LYS   8           1HB      LYS   8  29.147  11.449  10.897
   35    HB3  LYS   8           2HB      LYS   8  27.455  11.954  10.803
   36    HG2  LYS   8           1HG      LYS   8  27.046  10.393   8.956
   37    HG3  LYS   8           2HG      LYS   8  28.760   9.965   8.880
   38    HD2  LYS   8           1HD      LYS   8  26.944   9.456  11.279
   39    HD3  LYS   8           2HD      LYS   8  27.321   8.268  10.019
   40    HE2  LYS   8           1HE      LYS   8  29.746   8.456  10.567
   41    HE3  LYS   8           2HE      LYS   8  29.361   9.594  11.863
   42    HZ1  LYS   8           3HZ      LYS   8  28.062   7.833  12.938
   43    HZ2  LYS   8           1HZ      LYS   8  29.602   7.344  12.721
   44    HZ3  LYS   8           2HZ      LYS   8  28.429   6.776  11.743
   45    H    ILE   9           H        ILE   9  28.273  11.762   6.913
   46    HA   ILE   9           HA       ILE   9  25.767  13.241   6.301
   47    HB   ILE   9           HB       ILE   9  28.255  13.221   4.532
   48   HG12  ILE   9          1HG1      ILE   9  27.027  15.558   6.070
   49   HG13  ILE   9          2HG1      ILE   9  28.549  14.757   6.465
   50   HG21  ILE   9          1HG2      ILE   9  26.182  13.177   3.225
   51   HG22  ILE   9          2HG2      ILE   9  25.539  14.560   4.145
   52   HG23  ILE   9          3HG2      ILE   9  26.941  14.740   3.068
   53   HD11  ILE   9          3HD1      ILE   9  29.110  16.763   5.382
   54   HD12  ILE   9          1HD1      ILE   9  29.490  15.432   4.274
   55   HD13  ILE   9          2HD1      ILE   9  28.038  16.441   4.011
   56    H    PHE  10           H        PHE  10  24.420  12.112   4.860
   57    HA   PHE  10           HA       PHE  10  25.224   9.283   4.286
   58    HB2  PHE  10           1HB      PHE  10  22.499  10.426   4.984
   59    HB3  PHE  10           2HB      PHE  10  22.858   8.742   4.638
   60    HD1  PHE  10           2HD      PHE  10  24.136   7.343   6.232
   61    HD2  PHE  10           1HD      PHE  10  23.178  11.450   7.122
   62    HE1  PHE  10           2HE      PHE  10  24.740   6.971   8.611
   63    HE2  PHE  10           1HE      PHE  10  23.768  11.074   9.507
   64    HZ   PHE  10           HZ       PHE  10  24.532   8.825  10.257
   65    H    THR  11           H        THR  11  25.092   8.560   2.205
   66    HA   THR  11           HA       THR  11  23.804  10.318   0.162
   67    HB   THR  11           HB       THR  11  26.540   9.021  -0.033
   68    HG1  THR  11           1HG      THR  11  27.313  11.106   0.188
   69   HG21  THR  11          3HG2      THR  11  25.508   9.346  -2.236
   70   HG22  THR  11          1HG2      THR  11  26.806  10.519  -1.998
   71   HG23  THR  11          2HG2      THR  11  25.111  11.031  -1.827
   72    H    CYS  12           H        CYS  12  22.712   9.352  -1.427
   73    HA   CYS  12           HA       CYS  12  22.159   6.504  -1.397
   74    HB2  CYS  12           1HB      CYS  12  20.475   8.180  -1.899
   75    HB3  CYS  12           2HB      CYS  12  21.415   8.752  -3.297
   76    H    GLU  13           H        GLU  13  23.035   4.923  -2.565
   77    HA   GLU  13           HA       GLU  13  25.364   5.479  -4.284
   78    HB2  GLU  13           1HB      GLU  13  25.810   3.135  -4.187
   79    HB3  GLU  13           2HB      GLU  13  25.480   3.734  -2.565
   80    HG2  GLU  13           1HG      GLU  13  23.151   2.820  -2.725
   81    HG3  GLU  13           2HG      GLU  13  23.531   2.186  -4.330
   82    H    TYR  14           H        TYR  14  22.065   5.286  -4.869
   83    HA   TYR  14           HA       TYR  14  22.379   4.073  -7.586
   84    HB2  TYR  14           1HB      TYR  14  19.920   4.579  -5.908
   85    HB3  TYR  14           2HB      TYR  14  19.935   3.825  -7.490
   86    HD1  TYR  14           2HD      TYR  14  21.110   1.591  -7.802
   87    HD2  TYR  14           1HD      TYR  14  20.322   3.304  -3.921
   88    HE1  TYR  14           2HE      TYR  14  21.371  -0.656  -6.759
   89    HE2  TYR  14           1HE      TYR  14  20.572   1.046  -2.881
   90    HH   TYR  14           HH       TYR  14  21.329  -1.871  -4.817
   91    H    CYS  15           H        CYS  15  21.334   7.079  -5.991
   92    HA   CYS  15           HA       CYS  15  21.241   8.375  -8.661
   93    HB2  CYS  15           1HB      CYS  15  19.246   9.564  -8.180
   94    HB3  CYS  15           2HB      CYS  15  18.957   7.831  -8.062
   95    H    ASN  16           H        ASN  16  23.013   8.384  -6.052
   96    HA   ASN  16           HA       ASN  16  24.456   9.754  -5.039
   97    HB2  ASN  16           1HB      ASN  16  24.182  11.339  -7.609
   98    HB3  ASN  16           2HB      ASN  16  25.490  11.502  -6.448
   99   HD21  ASN  16          1HD2      ASN  16  26.147  10.962  -9.023
  100   HD22  ASN  16          2HD2      ASN  16  26.734   9.308  -9.128
  101    H    LYS  17           H        LYS  17  21.447  10.565  -4.737
  102    HA   LYS  17           HA       LYS  17  21.465  13.315  -3.866
  103    HB2  LYS  17           1HB      LYS  17  19.724  10.912  -3.221
  104    HB3  LYS  17           2HB      LYS  17  19.443  12.508  -2.493
  105    HG2  LYS  17           1HG      LYS  17  19.104  13.510  -4.704
  106    HG3  LYS  17           2HG      LYS  17  19.501  11.960  -5.474
  107    HD2  LYS  17           1HD      LYS  17  17.576  10.929  -4.141
  108    HD3  LYS  17           2HD      LYS  17  17.152  12.551  -3.605
  109    HE2  LYS  17           1HE      LYS  17  15.745  11.773  -5.432
  110    HE3  LYS  17           2HE      LYS  17  16.638  13.232  -5.883
  111    HZ1  LYS  17           3HZ      LYS  17  18.111  11.929  -7.210
  112    HZ2  LYS  17           1HZ      LYS  17  16.622  11.379  -7.599
  113    HZ3  LYS  17           2HZ      LYS  17  17.609  10.510  -6.601
  114    H    VAL  18           H        VAL  18  21.503  14.165  -1.845
  115    HA   VAL  18           HA       VAL  18  23.051  12.652   0.227
  116    HB   VAL  18           HB       VAL  18  23.251  15.610  -0.430
  117   HG11  VAL  18          1HG1      VAL  18  25.216  15.520   1.117
  118   HG12  VAL  18          2HG1      VAL  18  23.694  15.212   1.951
  119   HG13  VAL  18          3HG1      VAL  18  24.765  13.852   1.537
  120   HG21  VAL  18          3HG2      VAL  18  25.213  13.322  -0.915
  121   HG22  VAL  18          1HG2      VAL  18  24.346  14.233  -2.173
  122   HG23  VAL  18          2HG2      VAL  18  25.551  15.047  -1.174
  123    H    PHE  19           H        PHE  19  22.431  12.708   2.275
  124    HA   PHE  19           HA       PHE  19  19.983  14.201   3.094
  125    HB2  PHE  19           1HB      PHE  19  20.597  11.260   3.586
  126    HB3  PHE  19           2HB      PHE  19  19.188  12.135   4.161
  127    HD1  PHE  19           1HD      PHE  19  20.800  10.572   1.233
  128    HD2  PHE  19           2HD      PHE  19  17.353  12.763   2.609
  129    HE1  PHE  19           1HE      PHE  19  19.634  10.082  -0.902
  130    HE2  PHE  19           2HE      PHE  19  16.192  12.280   0.465
  131    HZ   PHE  19           HZ       PHE  19  17.342  10.975  -1.316
  132    H    LYS  20           H        LYS  20  19.862  14.784   5.238
  133    HA   LYS  20           HA       LYS  20  22.361  15.175   6.637
  134    HB2  LYS  20           1HB      LYS  20  20.503  16.819   6.575
  135    HB3  LYS  20           2HB      LYS  20  19.471  15.700   7.456
  136    HG2  LYS  20           1HG      LYS  20  20.264  17.424   8.933
  137    HG3  LYS  20           2HG      LYS  20  20.934  15.876   9.438
  138    HD2  LYS  20           1HD      LYS  20  23.091  16.449   8.348
  139    HD3  LYS  20           2HD      LYS  20  22.434  18.019   7.866
  140    HE2  LYS  20           1HE      LYS  20  22.718  17.007  10.738
  141    HE3  LYS  20           2HE      LYS  20  23.898  18.028   9.916
  142    HZ1  LYS  20           3HZ      LYS  20  22.438  19.385  11.258
  143    HZ2  LYS  20           1HZ      LYS  20  21.097  18.808  10.528
  144    HZ3  LYS  20           2HZ      LYS  20  22.149  19.736   9.690
  145    H    PHE  21           H        PHE  21  19.848  12.765   6.947
  146    HA   PHE  21           HA       PHE  21  21.155  11.620   9.379
  147    HB2  PHE  21           1HB      PHE  21  18.176  11.933   8.889
  148    HB3  PHE  21           2HB      PHE  21  18.927  11.196  10.293
  149    HD1  PHE  21           2HD      PHE  21  20.635  12.745  11.639
  150    HD2  PHE  21           1HD      PHE  21  17.536  14.202   9.016
  151    HE1  PHE  21           2HE      PHE  21  20.676  14.939  12.803
  152    HE2  PHE  21           1HE      PHE  21  17.569  16.387  10.194
  153    HZ   PHE  21           HZ       PHE  21  19.123  16.753  12.102
  154    H    LYS  22           H        LYS  22  20.907   9.424   9.757
  155    HA   LYS  22           HA       LYS  22  21.120   7.712   7.516
  156    HB2  LYS  22           1HB      LYS  22  22.071   7.370   9.824
  157    HB3  LYS  22           2HB      LYS  22  20.459   6.940  10.396
  158    HG2  LYS  22           1HG      LYS  22  20.402   5.061   8.749
  159    HG3  LYS  22           2HG      LYS  22  22.032   5.477   8.216
  160    HD2  LYS  22           1HD      LYS  22  21.248   4.639  11.047
  161    HD3  LYS  22           2HD      LYS  22  21.933   3.565   9.818
  162    HE2  LYS  22           1HE      LYS  22  23.986   4.959   9.730
  163    HE3  LYS  22           2HE      LYS  22  23.320   6.021  10.980
  164    HZ1  LYS  22           3HZ      LYS  22  24.796   4.348  11.941
  165    HZ2  LYS  22           1HZ      LYS  22  23.899   3.127  11.339
  166    HZ3  LYS  22           2HZ      LYS  22  23.280   4.106  12.492
  167    H    HIS  23           H        HIS  23  18.317   8.155   9.704
  168    HA   HIS  23           HA       HIS  23  16.673   6.176   8.491
  169    HB2  HIS  23           1HB      HIS  23  14.826   7.216   9.669
  170    HB3  HIS  23           2HB      HIS  23  16.235   7.073  10.709
  171    HD1  HIS  23           1HD      HIS  23  14.133   9.786   8.934
  172    HD2  HIS  23           2HD      HIS  23  17.347   9.342  11.609
  173    HE1  HIS  23           1HE      HIS  23  14.586  12.098   9.896
  174    H    SER  24           H        SER  24  17.077   9.635   7.668
  175    HA   SER  24           HA       SER  24  15.037   9.797   5.691
  176    HB2  SER  24           1HB      SER  24  17.688  11.282   5.776
  177    HB3  SER  24           2HB      SER  24  16.256  11.729   4.830
  178    HG   SER  24           HG       SER  24  16.246  12.896   6.752
  179    H    LEU  25           H        LEU  25  18.504   8.845   5.329
  180    HA   LEU  25           HA       LEU  25  18.246   8.241   2.519
  181    HB2  LEU  25           1HB      LEU  25  20.426   8.677   3.495
  182    HB3  LEU  25           2HB      LEU  25  20.252   7.312   4.604
  183    HG   LEU  25           HG       LEU  25  20.264   5.731   2.699
  184   HD11  LEU  25          1HD1      LEU  25  20.835   8.168   0.956
  185   HD12  LEU  25          2HD1      LEU  25  19.352   7.192   0.900
  186   HD13  LEU  25          3HD1      LEU  25  20.890   6.469   0.448
  187   HD21  LEU  25          3HD2      LEU  25  22.601   5.951   2.085
  188   HD22  LEU  25          1HD2      LEU  25  22.384   6.348   3.799
  189   HD23  LEU  25          2HD2      LEU  25  22.604   7.646   2.598
  190    H    GLN  26           H        GLN  26  17.985   6.149   5.455
  191    HA   GLN  26           HA       GLN  26  17.598   3.685   4.123
  192    HB2  GLN  26           1HB      GLN  26  16.616   4.762   6.782
  193    HB3  GLN  26           2HB      GLN  26  16.254   3.118   6.263
  194    HG2  GLN  26           1HG      GLN  26  18.625   2.569   6.090
  195    HG3  GLN  26           2HG      GLN  26  19.096   4.213   6.490
  196   HE21  GLN  26          1HE2      GLN  26  19.997   1.928   7.963
  197   HE22  GLN  26          2HE2      GLN  26  19.299   2.047   9.573
  198    H    ALA  27           H        ALA  27  15.103   6.123   5.000
  199    HA   ALA  27           HA       ALA  27  12.918   4.605   3.877
  200    HB1  ALA  27           1HB      ALA  27  11.683   6.701   4.172
  201    HB2  ALA  27           2HB      ALA  27  12.652   6.316   5.616
  202    HB3  ALA  27           3HB      ALA  27  13.203   7.573   4.479
  203    H    HIS  28           H        HIS  28  15.159   7.035   2.490
  204    HA   HIS  28           HA       HIS  28  13.782   7.346  -0.021
  205    HB2  HIS  28           1HB      HIS  28  15.383   9.000   0.638
  206    HB3  HIS  28           2HB      HIS  28  16.654   7.800   0.862
  207    HD1  HIS  28           1HD      HIS  28  14.598   9.276  -2.069
  208    HD2  HIS  28           2HD      HIS  28  18.116   7.145  -1.200
  209    HE1  HIS  28           1HE      HIS  28  15.806   9.006  -4.280
  210    H    LEU  29           H        LEU  29  16.390   5.095   1.008
  211    HA   LEU  29           HA       LEU  29  16.931   3.958  -1.508
  212    HB2  LEU  29           1HB      LEU  29  17.145   2.868   1.315
  213    HB3  LEU  29           2HB      LEU  29  17.716   1.957  -0.076
  214    HG   LEU  29           HG       LEU  29  18.742   4.746   0.592
  215   HD11  LEU  29          1HD1      LEU  29  19.294   3.171   2.404
  216   HD12  LEU  29          2HD1      LEU  29  20.738   3.592   1.473
  217   HD13  LEU  29          3HD1      LEU  29  19.949   2.019   1.218
  218   HD21  LEU  29          3HD2      LEU  29  19.113   4.156  -1.750
  219   HD22  LEU  29          1HD2      LEU  29  19.791   2.583  -1.266
  220   HD23  LEU  29          2HD2      LEU  29  20.633   4.095  -0.866
  221    H    ARG  30           H        ARG  30  14.085   3.421   0.396
  222    HA   ARG  30           HA       ARG  30  13.266   0.848  -0.531
  223    HB2  ARG  30           1HB      ARG  30  11.584   3.282   0.218
  224    HB3  ARG  30           2HB      ARG  30  10.978   1.633   0.047
  225    HG2  ARG  30           1HG      ARG  30  12.450   0.872   1.900
  226    HG3  ARG  30           2HG      ARG  30  13.081   2.513   2.072
  227    HD2  ARG  30           1HD      ARG  30  11.442   2.208   3.772
  228    HD3  ARG  30           2HD      ARG  30  10.787   3.338   2.576
  229    HE   ARG  30           HE       ARG  30   9.991   0.627   1.972
  230   HH11  ARG  30          1HH1      ARG  30   9.196   3.183   4.232
  231   HH12  ARG  30          2HH1      ARG  30   7.576   2.588   4.475
  232   HH21  ARG  30          2HH2      ARG  30   7.910  -0.071   2.322
  233   HH22  ARG  30          1HH2      ARG  30   6.877   0.793   3.420
  234    H    ILE  31           H        ILE  31  13.303   3.885  -2.341
  235    HA   ILE  31           HA       ILE  31  11.419   2.936  -4.348
  236    HB   ILE  31           HB       ILE  31  11.835   4.839  -5.557
  237   HG12  ILE  31          1HG1      ILE  31  14.377   5.357  -3.982
  238   HG13  ILE  31          2HG1      ILE  31  14.237   4.928  -5.683
  239   HG21  ILE  31          1HG2      ILE  31  11.231   6.563  -4.011
  240   HG22  ILE  31          2HG2      ILE  31  10.588   5.046  -3.382
  241   HG23  ILE  31          3HG2      ILE  31  12.057   5.749  -2.668
  242   HD11  ILE  31          3HD1      ILE  31  13.343   7.528  -4.418
  243   HD12  ILE  31          1HD1      ILE  31  14.647   7.265  -5.592
  244   HD13  ILE  31          2HD1      ILE  31  12.957   7.036  -6.087
  245    H    HIS  32           H        HIS  32  14.873   2.616  -3.899
  246    HA   HIS  32           HA       HIS  32  15.386   1.855  -6.690
  247    HB2  HIS  32           1HB      HIS  32  17.210   1.972  -4.263
  248    HB3  HIS  32           2HB      HIS  32  17.723   1.680  -5.921
  249    HD1  HIS  32           1HD      HIS  32  16.787   3.890  -7.652
  250    HD2  HIS  32           2HD      HIS  32  17.606   4.426  -3.572
  251    HE1  HIS  32           1HE      HIS  32  17.253   6.368  -7.366
  252    H    THR  33           H        THR  33  14.670   0.161  -3.718
  253    HA   THR  33           HA       THR  33  15.608  -2.444  -4.711
  254    HB   THR  33           HB       THR  33  14.728  -3.328  -2.599
  255    HG1  THR  33           1HG      THR  33  13.921  -1.852  -1.082
  256   HG21  THR  33          3HG2      THR  33  16.368  -0.800  -2.134
  257   HG22  THR  33          1HG2      THR  33  17.024  -2.363  -2.670
  258   HG23  THR  33          2HG2      THR  33  16.262  -2.223  -1.077
  259    H    ASN  34           H        ASN  34  13.245  -0.799  -5.954
  260    HA   ASN  34           HA       ASN  34  10.968  -2.589  -5.701
  261    HB2  ASN  34           1HB      ASN  34  10.813  -0.101  -5.923
  262    HB3  ASN  34           2HB      ASN  34  11.421  -0.238  -7.575
  263   HD21  ASN  34          1HD2      ASN  34   9.312   0.886  -8.032
  264   HD22  ASN  34          2HD2      ASN  34   7.883  -0.124  -8.200
  265    H    GLU  35           H        GLU  35  12.650  -4.350  -6.341
  266    HA   GLU  35           HA       GLU  35  12.471  -4.946  -9.277
  267    HB2  GLU  35           1HB      GLU  35  14.691  -5.696  -7.342
  268    HB3  GLU  35           2HB      GLU  35  14.618  -6.086  -9.066
  269    HG2  GLU  35           1HG      GLU  35  14.599  -3.621  -9.574
  270    HG3  GLU  35           2HG      GLU  35  14.879  -3.304  -7.857
  271    H    LYS  36           H        LYS  36  10.469  -5.656  -7.338
  272    HA   LYS  36           HA       LYS  36  10.840  -8.207  -6.174
  273    HB2  LYS  36           1HB      LYS  36   8.464  -6.420  -6.659
  274    HB3  LYS  36           2HB      LYS  36   8.200  -8.075  -6.147
  275    HG2  LYS  36           1HG      LYS  36   8.209  -6.709  -4.197
  276    HG3  LYS  36           2HG      LYS  36   9.634  -7.747  -4.164
  277    HD2  LYS  36           1HD      LYS  36  11.041  -5.814  -4.880
  278    HD3  LYS  36           2HD      LYS  36   9.583  -4.789  -4.923
  279    HE2  LYS  36           1HE      LYS  36   9.228  -5.320  -2.482
  280    HE3  LYS  36           2HE      LYS  36  10.733  -6.245  -2.498
  281    HZ1  LYS  36           3HZ      LYS  36  11.196  -4.047  -1.694
  282    HZ2  LYS  36           1HZ      LYS  36  10.466  -3.325  -2.960
  283    HZ3  LYS  36           2HZ      LYS  36  11.867  -4.139  -3.187
  284    HA   PRO  37           HA       PRO  37  10.318 -10.659  -9.859
  285    HB2  PRO  37           1HB      PRO  37  10.721 -13.170  -8.841
  286    HB3  PRO  37           2HB      PRO  37  12.004 -11.944  -9.005
  287    HG2  PRO  37           1HG      PRO  37  10.391 -12.604  -6.529
  288    HG3  PRO  37           2HG      PRO  37  12.169 -12.452  -6.678
  289    HD2  PRO  37           1HD      PRO  37  10.629 -10.390  -5.797
  290    HD3  PRO  37           2HD      PRO  37  12.048 -10.107  -6.843
  291    H    TYR  38           H        TYR  38   8.348 -11.581  -7.007
  292    HA   TYR  38           HA       TYR  38   6.664 -13.340  -8.617
  293    HB2  TYR  38           1HB      TYR  38   6.475 -12.549  -5.696
  294    HB3  TYR  38           2HB      TYR  38   5.394 -13.665  -6.501
  295    HD1  TYR  38           1HD      TYR  38   6.305 -15.734  -7.627
  296    HD2  TYR  38           2HD      TYR  38   8.644 -13.293  -4.978
  297    HE1  TYR  38           1HE      TYR  38   7.835 -17.669  -7.201
  298    HE2  TYR  38           2HE      TYR  38  10.211 -15.200  -4.580
  299    HH   TYR  38           HH       TYR  38   9.739 -18.393  -6.143
  300    H    LYS  39           H        LYS  39   6.013 -11.884 -10.143
  301    HA   LYS  39           HA       LYS  39   4.184  -9.660  -9.516
  302    HB2  LYS  39           1HB      LYS  39   5.287 -10.789 -12.104
  303    HB3  LYS  39           2HB      LYS  39   4.138  -9.443 -12.040
  304    HG2  LYS  39           1HG      LYS  39   5.668  -8.059 -10.807
  305    HG3  LYS  39           2HG      LYS  39   6.797  -9.399 -10.552
  306    HD2  LYS  39           1HD      LYS  39   7.202  -9.516 -12.997
  307    HD3  LYS  39           2HD      LYS  39   6.100  -8.141 -13.240
  308    HE2  LYS  39           1HE      LYS  39   7.540  -6.736 -11.780
  309    HE3  LYS  39           2HE      LYS  39   8.627  -8.105 -11.519
  310    HZ1  LYS  39           3HZ      LYS  39   9.457  -6.634 -13.268
  311    HZ2  LYS  39           1HZ      LYS  39   8.101  -6.825 -14.153
  312    HZ3  LYS  39           2HZ      LYS  39   9.107  -8.090 -13.913
  313    H    CYS  40           H        CYS  40   2.065  -9.524  -9.898
  314    HA   CYS  40           HA       CYS  40   0.508 -11.930  -9.806
  315    HB2  CYS  40           1HB      CYS  40  -0.048  -9.945  -8.591
  316    HB3  CYS  40           2HB      CYS  40  -0.225  -9.008 -10.089
  317    HA   PRO  41           HA       PRO  41  -0.196 -12.313 -14.278
  318    HB2  PRO  41           1HB      PRO  41  -2.079 -14.285 -14.276
  319    HB3  PRO  41           2HB      PRO  41  -0.364 -14.591 -13.863
  320    HG2  PRO  41           1HG      PRO  41  -2.678 -14.118 -11.953
  321    HG3  PRO  41           2HG      PRO  41  -1.460 -15.431 -11.911
  322    HD2  PRO  41           1HD      PRO  41  -1.220 -13.147 -10.421
  323    HD3  PRO  41           2HD      PRO  41   0.208 -13.980 -11.101
  324    H    GLN  42           H        GLN  42  -2.390 -11.076 -11.923
  325    HA   GLN  42           HA       GLN  42  -4.432 -10.380 -14.005
  326    HB2  GLN  42           1HB      GLN  42  -4.743 -10.915 -11.037
  327    HB3  GLN  42           2HB      GLN  42  -6.015 -10.264 -12.076
  328    HG2  GLN  42           1HG      GLN  42  -5.891 -12.299 -13.501
  329    HG3  GLN  42           2HG      GLN  42  -4.657 -12.970 -12.431
  330   HE21  GLN  42          1HE2      GLN  42  -8.106 -11.965 -12.575
  331   HE22  GLN  42          2HE2      GLN  42  -8.580 -12.960 -11.207
  332    H    CYS  43           H        CYS  43  -2.305  -8.875 -11.526
  333    HA   CYS  43           HA       CYS  43  -3.166  -6.262 -12.606
  334    HB2  CYS  43           1HB      CYS  43  -3.627  -5.317 -10.443
  335    HB3  CYS  43           2HB      CYS  43  -4.660  -6.708 -10.710
  336    H    SER  44           H        SER  44  -1.838  -4.555 -11.014
  337    HA   SER  44           HA       SER  44   0.902  -4.841 -11.952
  338    HB2  SER  44           1HB      SER  44   1.137  -2.532 -11.072
  339    HB3  SER  44           2HB      SER  44  -0.220  -2.728 -12.190
  340    HG   SER  44           HG       SER  44  -0.799  -1.533 -10.304
  341    H    TYR  45           H        TYR  45  -0.486  -6.081  -9.205
  342    HA   TYR  45           HA       TYR  45   1.284  -5.506  -7.090
  343    HB2  TYR  45           1HB      TYR  45  -0.814  -6.630  -6.768
  344    HB3  TYR  45           2HB      TYR  45  -0.361  -7.939  -7.841
  345    HD1  TYR  45           1HD      TYR  45   1.453  -9.607  -7.075
  346    HD2  TYR  45           2HD      TYR  45  -0.218  -6.621  -4.440
  347    HE1  TYR  45           1HE      TYR  45   2.297 -10.867  -5.108
  348    HE2  TYR  45           2HE      TYR  45   0.615  -7.902  -2.475
  349    HH   TYR  45           HH       TYR  45   1.719  -9.773  -1.755
  350    H    ALA  46           H        ALA  46   3.180  -6.266  -6.422
  351    HA   ALA  46           HA       ALA  46   4.370  -8.686  -7.539
  352    HB1  ALA  46           1HB      ALA  46   5.963  -6.091  -7.534
  353    HB2  ALA  46           2HB      ALA  46   6.509  -7.692  -8.093
  354    HB3  ALA  46           3HB      ALA  46   5.243  -6.824  -8.980
  355    H    SER  47           H        SER  47   5.779  -9.755  -6.110
  356    HA   SER  47           HA       SER  47   6.627  -8.392  -3.620
  357    HB2  SER  47           1HB      SER  47   4.370  -9.506  -3.253
  358    HB3  SER  47           2HB      SER  47   5.199 -11.062  -3.451
  359    HG   SER  47           HG       SER  47   5.782  -8.991  -1.555
  360    H    ALA  48           H        ALA  48   7.892 -10.047  -2.215
  361    HA   ALA  48           HA       ALA  48  10.031 -11.220  -3.919
  362    HB1  ALA  48           1HB      ALA  48  10.058 -10.334  -1.010
  363    HB2  ALA  48           2HB      ALA  48  11.455 -10.889  -1.957
  364    HB3  ALA  48           3HB      ALA  48  10.638  -9.379  -2.396
  365    H    ILE  49           H        ILE  49   7.339 -12.397  -2.363
  366    HA   ILE  49           HA       ILE  49   8.584 -15.075  -1.914
  367    HB   ILE  49           HB       ILE  49   6.562 -13.779  -0.044
  368   HG12  ILE  49          1HG1      ILE  49   9.555 -14.199   0.374
  369   HG13  ILE  49          2HG1      ILE  49   8.720 -12.648   0.231
  370   HG21  ILE  49          1HG2      ILE  49   8.143 -16.382   0.223
  371   HG22  ILE  49          2HG2      ILE  49   6.941 -15.754   1.372
  372   HG23  ILE  49          3HG2      ILE  49   6.426 -16.271  -0.211
  373   HD11  ILE  49          3HD1      ILE  49   7.430 -13.182   2.313
  374   HD12  ILE  49          1HD1      ILE  49   8.491 -14.599   2.535
  375   HD13  ILE  49          2HD1      ILE  49   9.180 -12.970   2.529
  376    H    LYS  50           H        LYS  50   7.502 -16.695  -2.888
  377    HA   LYS  50           HA       LYS  50   5.237 -16.276  -4.560
  378    HB2  LYS  50           1HB      LYS  50   6.965 -18.114  -4.794
  379    HB3  LYS  50           2HB      LYS  50   6.266 -18.908  -3.400
  380    HG2  LYS  50           1HG      LYS  50   5.472 -19.988  -5.390
  381    HG3  LYS  50           2HG      LYS  50   4.122 -19.172  -4.623
  382    HD2  LYS  50           1HD      LYS  50   4.342 -17.301  -6.317
  383    HD3  LYS  50           2HD      LYS  50   5.648 -18.227  -7.066
  384    HE2  LYS  50           1HE      LYS  50   3.888 -18.861  -8.392
  385    HE3  LYS  50           2HE      LYS  50   3.937 -20.175  -7.217
  386    HZ1  LYS  50           3HZ      LYS  50   2.064 -17.861  -7.202
  387    HZ2  LYS  50           1HZ      LYS  50   2.109 -18.959  -5.998
  388    HZ3  LYS  50           2HZ      LYS  50   1.677 -19.413  -7.503
  389    H    ALA  51           H        ALA  51   5.396 -17.629  -1.264
  390    HA   ALA  51           HA       ALA  51   2.643 -18.276  -0.985
  391    HB1  ALA  51           1HB      ALA  51   3.125 -18.252   1.423
  392    HB2  ALA  51           2HB      ALA  51   4.434 -19.048   0.535
  393    HB3  ALA  51           3HB      ALA  51   4.647 -17.387   1.140
  394    H    ASN  52           H        ASN  52   4.288 -15.096  -0.629
  395    HA   ASN  52           HA       ASN  52   1.928 -13.804   0.456
  396    HB2  ASN  52           1HB      ASN  52   4.361 -13.022   0.673
  397    HB3  ASN  52           2HB      ASN  52   4.235 -12.458  -0.998
  398   HD21  ASN  52          1HD2      ASN  52   4.490 -10.264  -0.397
  399   HD22  ASN  52          2HD2      ASN  52   3.280  -9.406   0.558
  400    H    LEU  53           H        LEU  53   3.238 -14.240  -2.869
  401    HA   LEU  53           HA       LEU  53   1.111 -12.852  -4.189
  402    HB2  LEU  53           1HB      LEU  53   3.183 -13.351  -5.320
  403    HB3  LEU  53           2HB      LEU  53   2.956 -15.082  -5.098
  404    HG   LEU  53           HG       LEU  53   1.008 -15.064  -6.605
  405   HD11  LEU  53          1HD1      LEU  53   0.246 -12.705  -6.253
  406   HD12  LEU  53          2HD1      LEU  53   0.450 -13.117  -7.952
  407   HD13  LEU  53          3HD1      LEU  53   1.685 -12.137  -7.128
  408   HD21  LEU  53          3HD2      LEU  53   3.420 -13.689  -7.840
  409   HD22  LEU  53          1HD2      LEU  53   2.218 -14.684  -8.681
  410   HD23  LEU  53          2HD2      LEU  53   3.305 -15.426  -7.491
  411    H    ASN  54           H        ASN  54   1.319 -16.274  -3.057
  412    HA   ASN  54           HA       ASN  54  -1.227 -17.087  -4.084
  413    HB2  ASN  54           1HB      ASN  54   0.237 -18.021  -1.577
  414    HB3  ASN  54           2HB      ASN  54  -1.151 -18.814  -2.289
  415   HD21  ASN  54          1HD2      ASN  54   0.953 -20.377  -1.914
  416   HD22  ASN  54          2HD2      ASN  54   1.746 -20.712  -3.444
  417    H    VAL  55           H        VAL  55  -0.406 -15.520  -0.966
  418    HA   VAL  55           HA       VAL  55  -3.111 -15.321   0.023
  419    HB   VAL  55           HB       VAL  55  -0.561 -13.826   0.712
  420   HG11  VAL  55          1HG1      VAL  55  -3.240 -13.739   2.164
  421   HG12  VAL  55          2HG1      VAL  55  -1.694 -13.187   2.843
  422   HG13  VAL  55          3HG1      VAL  55  -2.373 -12.363   1.441
  423   HG21  VAL  55          3HG2      VAL  55  -0.664 -16.277   1.206
  424   HG22  VAL  55          1HG2      VAL  55  -0.562 -15.288   2.666
  425   HG23  VAL  55          2HG2      VAL  55  -2.119 -15.999   2.174
  426    H    HIS  56           H        HIS  56  -1.290 -13.334  -2.208
  427    HA   HIS  56           HA       HIS  56  -3.318 -11.214  -2.327
  428    HB2  HIS  56           1HB      HIS  56  -1.037 -10.653  -2.840
  429    HB3  HIS  56           2HB      HIS  56  -0.937 -11.906  -4.079
  430    HD1  HIS  56           1HD      HIS  56  -3.014  -8.682  -3.486
  431    HD2  HIS  56           2HD      HIS  56  -1.649 -11.278  -6.497
  432    HE1  HIS  56           1HE      HIS  56  -3.896  -7.736  -5.655
  433    H    LEU  57           H        LEU  57  -2.638 -14.082  -4.411
  434    HA   LEU  57           HA       LEU  57  -4.518 -13.452  -6.431
  435    HB2  LEU  57           1HB      LEU  57  -3.385 -16.029  -5.372
  436    HB3  LEU  57           2HB      LEU  57  -4.509 -16.042  -6.722
  437    HG   LEU  57           HG       LEU  57  -1.960 -14.371  -6.797
  438   HD11  LEU  57          1HD1      LEU  57  -2.393 -17.231  -7.745
  439   HD12  LEU  57          2HD1      LEU  57  -1.352 -16.716  -6.398
  440   HD13  LEU  57          3HD1      LEU  57  -0.950 -16.233  -8.056
  441   HD21  LEU  57          3HD2      LEU  57  -2.291 -14.634  -9.243
  442   HD22  LEU  57          1HD2      LEU  57  -3.637 -13.775  -8.488
  443   HD23  LEU  57          2HD2      LEU  57  -3.817 -15.483  -8.949
  444    H    ARG  58           H        ARG  58  -5.072 -15.151  -3.363
  445    HA   ARG  58           HA       ARG  58  -7.859 -15.718  -3.821
  446    HB2  ARG  58           1HB      ARG  58  -8.004 -16.233  -1.489
  447    HB3  ARG  58           2HB      ARG  58  -6.524 -16.888  -2.198
  448    HG2  ARG  58           1HG      ARG  58  -5.199 -15.098  -1.232
  449    HG3  ARG  58           2HG      ARG  58  -6.631 -14.342  -0.513
  450    HD2  ARG  58           1HD      ARG  58  -5.639 -17.158   0.076
  451    HD3  ARG  58           2HD      ARG  58  -5.246 -15.734   1.060
  452    HE   ARG  58           HE       ARG  58  -8.042 -15.785   0.897
  453   HH11  ARG  58          2HH1      ARG  58  -5.604 -17.906   2.254
  454   HH12  ARG  58          1HH1      ARG  58  -6.691 -18.523   3.470
  455   HH21  ARG  58          2HH2      ARG  58  -9.375 -16.623   2.465
  456   HH22  ARG  58          1HH2      ARG  58  -8.765 -17.809   3.580
  457    H    LYS  59           H        LYS  59  -6.455 -12.696  -3.388
  458    HA   LYS  59           HA       LYS  59  -8.936 -11.387  -2.399
  459    HB2  LYS  59           1HB      LYS  59  -6.406 -10.013  -3.366
  460    HB3  LYS  59           2HB      LYS  59  -7.730  -9.330  -2.422
  461    HG2  LYS  59           1HG      LYS  59  -7.156 -10.954  -0.566
  462    HG3  LYS  59           2HG      LYS  59  -5.730 -11.423  -1.516
  463    HD2  LYS  59           1HD      LYS  59  -4.898  -9.096  -1.443
  464    HD3  LYS  59           2HD      LYS  59  -6.314  -8.625  -0.473
  465    HE2  LYS  59           1HE      LYS  59  -5.655 -10.296   1.262
  466    HE3  LYS  59           2HE      LYS  59  -4.232 -10.725   0.306
  467    HZ1  LYS  59           3HZ      LYS  59  -3.443  -8.425   0.584
  468    HZ2  LYS  59           1HZ      LYS  59  -3.688  -9.110   2.045
  469    HZ3  LYS  59           2HZ      LYS  59  -4.765  -8.034   1.462
  470    H    HIS  60           H        HIS  60  -7.736 -12.389  -5.457
  471    HA   HIS  60           HA       HIS  60  -9.144 -10.319  -6.973
  472    HB2  HIS  60           1HB      HIS  60  -7.669 -12.838  -7.738
  473    HB3  HIS  60           2HB      HIS  60  -8.715 -12.027  -8.888
  474    HD1  HIS  60           1HD      HIS  60  -8.161  -9.331  -9.303
  475    HD2  HIS  60           2HD      HIS  60  -5.213 -11.777  -7.556
  476    HE1  HIS  60           1HE      HIS  60  -5.998  -8.042  -9.519
  477    H    THR  61           H        THR  61 -10.290 -13.172  -5.401
  478    HA   THR  61           HA       THR  61 -12.791 -13.166  -7.017
  479    HB   THR  61           HB       THR  61 -11.790 -15.324  -6.407
  480    HG1  THR  61           1HG      THR  61 -13.764 -16.204  -5.871
  481   HG21  THR  61          3HG2      THR  61 -11.009 -14.873  -4.115
  482   HG22  THR  61          1HG2      THR  61 -12.128 -16.239  -4.156
  483   HG23  THR  61          2HG2      THR  61 -12.688 -14.660  -3.567
  484    H    GLY  62           H        GLY  62 -14.875 -13.172  -5.777
  485    HA2  GLY  62           1HA      GLY  62 -16.368 -12.263  -4.250
  486    HA3  GLY  62           2HA      GLY  62 -15.036 -11.613  -3.308
  487    H    GLU  63           H        GLU  63 -17.022 -10.029  -3.299
  488    HA   GLU  63           HA       GLU  63 -17.466  -8.267  -5.499
  489    HB2  GLU  63           1HB      GLU  63 -19.110  -8.885  -3.711
  490    HB3  GLU  63           2HB      GLU  63 -18.167  -7.934  -2.551
  491    HG2  GLU  63           1HG      GLU  63 -18.622  -5.883  -3.797
  492    HG3  GLU  63           2HG      GLU  63 -19.377  -6.796  -5.107
  493    H    LYS  64           H        LYS  64 -16.917  -6.207  -5.759
  494    HA   LYS  64           HA       LYS  64 -14.460  -5.195  -4.366
  495    HB2  LYS  64           1HB      LYS  64 -14.982  -5.310  -7.357
  496    HB3  LYS  64           2HB      LYS  64 -13.593  -4.524  -6.584
  497    HG2  LYS  64           1HG      LYS  64 -12.923  -6.681  -5.567
  498    HG3  LYS  64           2HG      LYS  64 -14.295  -7.472  -6.364
  499    HD2  LYS  64           1HD      LYS  64 -13.342  -6.797  -8.594
  500    HD3  LYS  64           2HD      LYS  64 -11.943  -6.122  -7.736
  501    HE2  LYS  64           1HE      LYS  64 -11.308  -8.317  -8.411
  502    HE3  LYS  64           2HE      LYS  64 -11.584  -8.365  -6.661
  503    HZ1  LYS  64           3HZ      LYS  64 -13.747  -9.401  -7.075
  504    HZ2  LYS  64           1HZ      LYS  64 -12.582 -10.258  -7.863
  505    HZ3  LYS  64           2HZ      LYS  64 -13.562  -9.257  -8.700
  506    H    PHE  65           H        PHE  65 -14.015  -3.091  -4.348
  507    HA   PHE  65           HA       PHE  65 -15.964  -1.069  -5.370
  508    HB2  PHE  65           1HB      PHE  65 -14.131  -0.835  -2.949
  509    HB3  PHE  65           2HB      PHE  65 -15.310   0.345  -3.508
  510    HD1  PHE  65           2HD      PHE  65 -17.755  -0.052  -3.195
  511    HD2  PHE  65           1HD      PHE  65 -14.800  -2.799  -1.679
  512    HE1  PHE  65           2HE      PHE  65 -19.463  -1.078  -1.711
  513    HE2  PHE  65           1HE      PHE  65 -16.515  -3.838  -0.214
  514    HZ   PHE  65           HZ       PHE  65 -18.848  -2.976  -0.223
  515    H    ALA  66           H        ALA  66 -14.996   0.682  -6.507
  516    HA   ALA  66           HA       ALA  66 -12.158   0.213  -7.329
  517    HB1  ALA  66           1HB      ALA  66 -12.848   0.838  -9.577
  518    HB2  ALA  66           2HB      ALA  66 -13.837  -0.514  -8.991
  519    HB3  ALA  66           3HB      ALA  66 -14.509   1.131  -9.020
  520    H    CYS  67           H        CYS  67 -10.789   1.858  -7.660
  521    HA   CYS  67           HA       CYS  67 -11.178   4.338  -6.292
  522    HB2  CYS  67           1HB      CYS  67  -9.079   3.073  -6.513
  523    HB3  CYS  67           2HB      CYS  67  -9.041   3.420  -8.248
  524    H    ASP  68           H        ASP  68 -11.322   6.400  -7.019
  525    HA   ASP  68           HA       ASP  68 -12.685   6.837  -9.615
  526    HB2  ASP  68           1HB      ASP  68 -13.602   7.699  -7.435
  527    HB3  ASP  68           2HB      ASP  68 -12.205   8.770  -7.322
  528    H    TYR  69           H        TYR  69  -9.529   6.954  -8.421
  529    HA   TYR  69           HA       TYR  69  -8.651   9.131 -10.290
  530    HB2  TYR  69           1HB      TYR  69  -7.467   8.192  -7.679
  531    HB3  TYR  69           2HB      TYR  69  -6.841   9.497  -8.675
  532    HD1  TYR  69           1HD      TYR  69  -8.121  11.642  -8.883
  533    HD2  TYR  69           2HD      TYR  69  -9.323   8.501  -6.181
  534    HE1  TYR  69           1HE      TYR  69  -9.530  13.263  -7.628
  535    HE2  TYR  69           2HE      TYR  69 -10.742  10.127  -4.926
  536    HH   TYR  69           HH       TYR  69 -10.959  13.580  -5.860
  537    H    CYS  70           H        CYS  70  -8.188   5.746  -9.523
  538    HA   CYS  70           HA       CYS  70  -6.334   5.478 -11.771
  539    HB2  CYS  70           1HB      CYS  70  -4.615   4.306 -10.617
  540    HB3  CYS  70           2HB      CYS  70  -4.843   5.865  -9.848
  541    H    SER  71           H        SER  71  -5.692   2.888 -11.692
  542    HA   SER  71           HA       SER  71  -8.200   1.524 -12.276
  543    HB2  SER  71           1HB      SER  71  -5.346   0.503 -12.439
  544    HB3  SER  71           2HB      SER  71  -6.780  -0.245 -13.166
  545    HG   SER  71           HG       SER  71  -5.613   1.035 -14.676
  546    H    PHE  72           H        PHE  72  -6.741   1.890  -9.324
  547    HA   PHE  72           HA       PHE  72  -6.497  -0.740  -8.295
  548    HB2  PHE  72           1HB      PHE  72  -5.503   1.231  -7.277
  549    HB3  PHE  72           2HB      PHE  72  -7.091   1.906  -6.950
  550    HD1  PHE  72           1HD      PHE  72  -4.776  -0.883  -6.023
  551    HD2  PHE  72           2HD      PHE  72  -8.274   1.400  -4.954
  552    HE1  PHE  72           1HE      PHE  72  -4.748  -1.893  -3.751
  553    HE2  PHE  72           2HE      PHE  72  -8.230   0.407  -2.680
  554    HZ   PHE  72           HZ       PHE  72  -6.466  -1.246  -2.076
  555    H    THR  73           H        THR  73  -7.761  -2.068  -7.082
  556    HA   THR  73           HA       THR  73 -10.530  -1.321  -6.419
  557    HB   THR  73           HB       THR  73 -11.379  -3.575  -6.955
  558    HG1  THR  73           1HG      THR  73  -8.995  -3.865  -8.458
  559   HG21  THR  73          3HG2      THR  73 -11.794  -1.775  -8.569
  560   HG22  THR  73          1HG2      THR  73 -11.609  -3.346  -9.366
  561   HG23  THR  73          2HG2      THR  73 -10.282  -2.162  -9.417
  562    H    CYS  74           H        CYS  74 -11.409  -2.417  -4.618
  563    HA   CYS  74           HA       CYS  74  -9.637  -4.230  -3.079
  564    HB2  CYS  74           1HB      CYS  74  -9.174  -1.806  -2.441
  565    HB3  CYS  74           2HB      CYS  74 -10.837  -1.718  -1.830
  566    HG   CYS  74           HG       CYS  74  -8.329  -3.741  -0.976
  567    H    LEU  75           H        LEU  75 -10.711  -5.328  -1.339
  568    HA   LEU  75           HA       LEU  75 -13.534  -5.984  -1.839
  569    HB2  LEU  75           1HB      LEU  75 -11.249  -7.124  -0.231
  570    HB3  LEU  75           2HB      LEU  75 -12.886  -7.521   0.257
  571    HG   LEU  75           HG       LEU  75 -13.418  -8.530  -1.853
  572   HD11  LEU  75          1HD1      LEU  75 -12.123  -7.161  -3.432
  573   HD12  LEU  75          2HD1      LEU  75 -11.753  -8.871  -3.631
  574   HD13  LEU  75          3HD1      LEU  75 -10.603  -7.817  -2.777
  575   HD21  LEU  75          3HD2      LEU  75 -11.870 -10.429  -1.789
  576   HD22  LEU  75          1HD2      LEU  75 -12.271  -9.892  -0.149
  577   HD23  LEU  75          2HD2      LEU  75 -10.697  -9.469  -0.862
  578    H    SER  76           H        SER  76 -12.109  -3.532  -0.074
  579    HA   SER  76           HA       SER  76 -14.538  -3.235   1.636
  580    HB2  SER  76           1HB      SER  76 -12.871  -4.012   3.158
  581    HB3  SER  76           2HB      SER  76 -11.650  -2.910   2.495
  582    HG   SER  76           HG       SER  76 -12.827  -2.282   4.521
  583    H    LYS  77           H        LYS  77 -15.508  -1.349   1.415
  584    HA   LYS  77           HA       LYS  77 -14.378   0.829  -0.117
  585    HB2  LYS  77           1HB      LYS  77 -16.439   2.057   0.463
  586    HB3  LYS  77           2HB      LYS  77 -16.654   0.524  -0.329
  587    HG2  LYS  77           1HG      LYS  77 -18.380   0.681   1.232
  588    HG3  LYS  77           2HG      LYS  77 -17.288  -0.550   1.827
  589    HD2  LYS  77           1HD      LYS  77 -18.199   0.836   3.619
  590    HD3  LYS  77           2HD      LYS  77 -16.450   0.996   3.558
  591    HE2  LYS  77           1HE      LYS  77 -16.664   3.167   2.383
  592    HE3  LYS  77           2HE      LYS  77 -18.419   2.963   2.301
  593    HZ1  LYS  77           3HZ      LYS  77 -16.867   3.229   4.824
  594    HZ2  LYS  77           1HZ      LYS  77 -18.489   3.049   4.731
  595    HZ3  LYS  77           2HZ      LYS  77 -17.784   4.399   4.151
  596    H    GLY  78           H        GLY  78 -14.140  -0.012   3.218
  597    HA2  GLY  78           1HA      GLY  78 -13.414   2.640   4.235
  598    HA3  GLY  78           2HA      GLY  78 -13.190   1.078   5.037
  599    H    HIS  79           H        HIS  79 -11.624  -0.332   3.236
  600    HA   HIS  79           HA       HIS  79  -9.009   0.857   3.517
  601    HB2  HIS  79           1HB      HIS  79  -9.519  -1.595   3.460
  602    HB3  HIS  79           2HB      HIS  79  -9.858  -1.446   1.737
  603    HD1  HIS  79           1HD      HIS  79  -6.972  -1.725   4.175
  604    HD2  HIS  79           2HD      HIS  79  -7.659  -0.781   0.131
  605    HE1  HIS  79           1HE      HIS  79  -4.701  -1.822   3.022
  606    H    LEU  80           H        LEU  80 -11.316   0.713   0.766
  607    HA   LEU  80           HA       LEU  80  -9.623   1.981  -1.136
  608    HB2  LEU  80           1HB      LEU  80 -11.710   0.806  -1.708
  609    HB3  LEU  80           2HB      LEU  80 -12.645   2.041  -0.855
  610    HG   LEU  80           HG       LEU  80 -11.893   3.764  -2.471
  611   HD11  LEU  80          1HD1      LEU  80 -10.774   3.050  -4.564
  612   HD12  LEU  80          2HD1      LEU  80 -10.536   1.425  -3.890
  613   HD13  LEU  80          3HD1      LEU  80  -9.720   2.842  -3.177
  614   HD21  LEU  80          3HD2      LEU  80 -13.967   2.441  -2.838
  615   HD22  LEU  80          1HD2      LEU  80 -13.026   1.308  -3.842
  616   HD23  LEU  80          2HD2      LEU  80 -13.217   3.007  -4.335
  617    H    LYS  81           H        LYS  81 -11.866   3.456   1.282
  618    HA   LYS  81           HA       LYS  81 -11.382   6.182   0.575
  619    HB2  LYS  81           1HB      LYS  81 -13.194   5.438   2.055
  620    HB3  LYS  81           2HB      LYS  81 -12.025   4.941   3.285
  621    HG2  LYS  81           1HG      LYS  81 -11.283   7.254   3.574
  622    HG3  LYS  81           2HG      LYS  81 -12.367   7.799   2.277
  623    HD2  LYS  81           1HD      LYS  81 -14.321   7.061   3.579
  624    HD3  LYS  81           2HD      LYS  81 -13.281   6.449   4.869
  625    HE2  LYS  81           1HE      LYS  81 -13.365   9.366   3.967
  626    HE3  LYS  81           2HE      LYS  81 -14.355   8.713   5.276
  627    HZ1  LYS  81           3HZ      LYS  81 -11.375   8.768   5.251
  628    HZ2  LYS  81           1HZ      LYS  81 -12.290   8.099   6.437
  629    HZ3  LYS  81           2HZ      LYS  81 -12.349   9.704   6.161
  630    H    VAL  82           H        VAL  82  -9.555   4.057   2.816
  631    HA   VAL  82           HA       VAL  82  -7.550   6.028   3.453
  632    HB   VAL  82           HB       VAL  82  -7.416   2.985   3.539
  633   HG11  VAL  82          1HG1      VAL  82  -5.533   5.052   4.760
  634   HG12  VAL  82          2HG1      VAL  82  -5.534   3.315   5.136
  635   HG13  VAL  82          3HG1      VAL  82  -5.119   3.855   3.510
  636   HG21  VAL  82          3HG2      VAL  82  -7.775   3.296   5.957
  637   HG22  VAL  82          1HG2      VAL  82  -7.880   5.057   5.733
  638   HG23  VAL  82          2HG2      VAL  82  -9.121   3.989   5.053
  639    H    HIS  83           H        HIS  83  -7.627   3.541   0.819
  640    HA   HIS  83           HA       HIS  83  -5.107   4.148  -0.333
  641    HB2  HIS  83           1HB      HIS  83  -6.302   2.263  -1.150
  642    HB3  HIS  83           2HB      HIS  83  -7.730   3.208  -1.523
  643    HD1  HIS  83           1HD      HIS  83  -4.356   2.318  -3.037
  644    HD2  HIS  83           2HD      HIS  83  -7.779   4.629  -3.803
  645    HE1  HIS  83           1HE      HIS  83  -4.174   3.038  -5.462
  646    H    ILE  84           H        ILE  84  -8.274   5.798  -0.909
  647    HA   ILE  84           HA       ILE  84  -7.179   7.744  -2.719
  648    HB   ILE  84           HB       ILE  84  -9.676   7.796  -1.000
  649   HG12  ILE  84          1HG1      ILE  84  -9.314   7.321  -4.003
  650   HG13  ILE  84          2HG1      ILE  84  -9.467   6.028  -2.831
  651   HG21  ILE  84          1HG2      ILE  84  -8.819   9.694  -3.238
  652   HG22  ILE  84          2HG2      ILE  84 -10.427   9.665  -2.477
  653   HG23  ILE  84          3HG2      ILE  84  -9.031  10.114  -1.520
  654   HD11  ILE  84          3HD1      ILE  84 -11.718   6.880  -2.173
  655   HD12  ILE  84          1HD1      ILE  84 -11.613   8.062  -3.503
  656   HD13  ILE  84          2HD1      ILE  84 -11.594   6.330  -3.855
  657    H    GLU  85           H        GLU  85  -7.704   7.937   0.832
  658    HA   GLU  85           HA       GLU  85  -6.643  10.579   1.082
  659    HB2  GLU  85           1HB      GLU  85  -7.032   8.322   3.087
  660    HB3  GLU  85           2HB      GLU  85  -6.419   9.915   3.536
  661    HG2  GLU  85           1HG      GLU  85  -8.458  10.958   2.522
  662    HG3  GLU  85           2HG      GLU  85  -9.131   9.356   2.272
  663    H    ARG  86           H        ARG  86  -4.859   7.556   0.856
  664    HA   ARG  86           HA       ARG  86  -2.319   8.960   1.634
  665    HB2  ARG  86           1HB      ARG  86  -2.890   6.010   1.185
  666    HB3  ARG  86           2HB      ARG  86  -1.363   6.694   1.730
  667    HG2  ARG  86           1HG      ARG  86  -3.987   6.769   3.297
  668    HG3  ARG  86           2HG      ARG  86  -2.648   5.664   3.549
  669    HD2  ARG  86           1HD      ARG  86  -2.481   7.291   5.233
  670    HD3  ARG  86           2HD      ARG  86  -1.183   7.653   4.079
  671    HE   ARG  86           HE       ARG  86  -3.349   9.215   3.263
  672   HH11  ARG  86          2HH1      ARG  86  -1.499   9.110   6.240
  673   HH12  ARG  86          1HH1      ARG  86  -1.752  10.810   6.536
  674   HH21  ARG  86          2HH2      ARG  86  -3.581  11.277   3.632
  675   HH22  ARG  86          1HH2      ARG  86  -2.949  12.028   5.086
  676    H    VAL  87           H        VAL  87  -3.717   7.344  -1.203
  677    HA   VAL  87           HA       VAL  87  -1.172   7.727  -2.656
  678    HB   VAL  87           HB       VAL  87  -3.746   6.440  -3.620
  679   HG11  VAL  87          1HG1      VAL  87  -2.324   7.135  -5.498
  680   HG12  VAL  87          2HG1      VAL  87  -0.914   6.363  -4.740
  681   HG13  VAL  87          3HG1      VAL  87  -2.281   5.384  -5.312
  682   HG21  VAL  87          3HG2      VAL  87  -2.803   5.168  -1.717
  683   HG22  VAL  87          1HG2      VAL  87  -2.502   4.304  -3.224
  684   HG23  VAL  87          2HG2      VAL  87  -1.190   5.223  -2.462
  685    H    HIS  88           H        HIS  88  -4.459   9.131  -2.718
  686    HA   HIS  88           HA       HIS  88  -3.636  10.789  -5.071
  687    HB2  HIS  88           1HB      HIS  88  -6.394   9.914  -4.174
  688    HB3  HIS  88           2HB      HIS  88  -6.014  10.864  -5.611
  689    HD1  HIS  88           1HD      HIS  88  -4.086   9.431  -7.299
  690    HD2  HIS  88           2HD      HIS  88  -6.642   7.381  -4.676
  691    HE1  HIS  88           1HE      HIS  88  -4.196   7.044  -8.161
  692    H    LYS  89           H        LYS  89  -5.114  11.126  -1.826
  693    HA   LYS  89           HA       LYS  89  -5.286  14.064  -2.094
  694    HB2  LYS  89           1HB      LYS  89  -5.517  12.333   0.381
  695    HB3  LYS  89           2HB      LYS  89  -5.877  14.050   0.274
  696    HG2  LYS  89           1HG      LYS  89  -7.386  11.809  -1.129
  697    HG3  LYS  89           2HG      LYS  89  -7.925  12.745   0.260
  698    HD2  LYS  89           1HD      LYS  89  -7.911  14.817  -1.188
  699    HD3  LYS  89           2HD      LYS  89  -7.445  13.805  -2.560
  700    HE2  LYS  89           1HE      LYS  89  -9.765  14.115  -2.777
  701    HE3  LYS  89           2HE      LYS  89  -9.532  12.450  -2.248
  702    HZ1  LYS  89           3HZ      LYS  89 -10.310  14.721  -0.483
  703    HZ2  LYS  89           1HZ      LYS  89 -10.131  13.174   0.019
  704    HZ3  LYS  89           2HZ      LYS  89 -11.323  13.567  -1.024
  705    H    LYS  90           H        LYS  90  -3.244  14.490  -2.848
  706    HA   LYS  90           HA       LYS  90  -0.845  13.711  -1.473
  707    HB2  LYS  90           1HB      LYS  90  -1.350  14.071  -4.019
  708    HB3  LYS  90           2HB      LYS  90  -1.020  15.756  -3.711
  709    HG2  LYS  90           1HG      LYS  90   0.957  14.679  -4.584
  710    HG3  LYS  90           2HG      LYS  90   1.276  15.171  -2.927
  711    HD2  LYS  90           1HD      LYS  90   2.215  12.946  -3.492
  712    HD3  LYS  90           2HD      LYS  90   1.088  12.869  -2.140
  713    HE2  LYS  90           1HE      LYS  90  -0.705  12.077  -3.671
  714    HE3  LYS  90           2HE      LYS  90   0.406  12.186  -5.041
  715    HZ1  LYS  90           3HZ      LYS  90   0.822  10.414  -2.691
  716    HZ2  LYS  90           1HZ      LYS  90   1.740  10.443  -4.050
  717    HZ3  LYS  90           2HZ      LYS  90   0.177   9.937  -4.114
  718    H    ILE  91           H        ILE  91  -1.939  14.874   0.535
  719    HA   ILE  91           HA       ILE  91  -1.248  17.683   0.864
  720    HB   ILE  91           HB       ILE  91  -2.018  17.430   3.140
  721   HG12  ILE  91          1HG1      ILE  91  -2.525  14.482   2.521
  722   HG13  ILE  91          2HG1      ILE  91  -1.243  15.097   3.567
  723   HG21  ILE  91          1HG2      ILE  91  -3.973  16.129   1.196
  724   HG22  ILE  91          2HG2      ILE  91  -4.356  17.126   2.614
  725   HG23  ILE  91          3HG2      ILE  91  -3.573  17.861   1.217
  726   HD11  ILE  91          3HD1      ILE  91  -2.983  16.145   5.037
  727   HD12  ILE  91          1HD1      ILE  91  -4.232  15.332   4.060
  728   HD13  ILE  91          2HD1      ILE  91  -3.051  14.373   4.964
  729    H    LYS  92           H        LYS  92   0.124  18.491   2.461
  730    HA   LYS  92           HA       LYS  92   2.369  16.893   3.490
  731    HB2  LYS  92           1HB      LYS  92   4.098  18.263   2.502
  732    HB3  LYS  92           2HB      LYS  92   3.146  17.475   1.246
  733    HG2  LYS  92           1HG      LYS  92   1.872  19.617   0.904
  734    HG3  LYS  92           2HG      LYS  92   2.917  20.403   2.092
  735    HD2  LYS  92           1HD      LYS  92   3.848  19.127  -0.518
  736    HD3  LYS  92           2HD      LYS  92   3.576  20.856  -0.255
  737    HE2  LYS  92           1HE      LYS  92   5.314  20.854   1.535
  738    HE3  LYS  92           2HE      LYS  92   5.623  19.141   1.221
  739    HZ1  LYS  92           3HZ      LYS  92   6.005  21.327  -0.755
  740    HZ2  LYS  92           1HZ      LYS  92   6.286  19.744  -1.047
  741    HZ3  LYS  92           2HZ      LYS  92   7.200  20.550   0.037
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1   1.020  39.459 -12.874
    2    H2   GLY   1           2H       GLY   1   0.871  40.418 -14.195
    3    H3   GLY   1           3H       GLY   1   2.238  40.470 -13.290
    4    HA2  GLY   1           1HA      GLY   1   1.324  38.157 -14.874
    5    HA3  GLY   1           2HA      GLY   1   2.638  39.257 -15.332
    6    H    SER   2           H        SER   2   3.161  36.592 -15.211
    7    HA   SER   2           HA       SER   2   4.085  35.597 -12.699
    8    HB2  SER   2           1HB      SER   2   4.949  34.802 -15.505
    9    HB3  SER   2           2HB      SER   2   5.171  33.852 -14.022
   10    HG   SER   2           HG       SER   2   3.306  33.202 -15.208
   11    H    SER   3           H        SER   3   6.163  35.300 -11.854
   12    HA   SER   3           HA       SER   3   8.083  37.436 -12.338
   13    HB2  SER   3           1HB      SER   3   9.284  36.380 -10.437
   14    HB3  SER   3           2HB      SER   3   7.590  36.758 -10.085
   15    HG   SER   3           HG       SER   3   8.188  34.643  -9.381
   16    H    GLY   4           H        GLY   4   7.703  34.387 -13.776
   17    HA2  GLY   4           1HA      GLY   4  10.116  34.585 -15.337
   18    HA3  GLY   4           2HA      GLY   4  10.248  33.306 -14.126
   19    H    SER   5           H        SER   5  10.466  32.046 -16.221
   20    HA   SER   5           HA       SER   5   8.125  31.597 -17.877
   21    HB2  SER   5           1HB      SER   5   9.525  29.890 -18.943
   22    HB3  SER   5           2HB      SER   5  10.407  31.416 -18.746
   23    HG   SER   5           HG       SER   5  11.690  29.639 -18.098
   24    H    SER   6           H        SER   6   9.183  30.214 -14.886
   25    HA   SER   6           HA       SER   6   8.646  28.414 -13.643
   26    HB2  SER   6           1HB      SER   6   5.930  28.664 -14.963
   27    HB3  SER   6           2HB      SER   6   6.292  27.791 -13.462
   28    HG   SER   6           HG       SER   6   5.516  29.918 -13.067
   29    H    GLY   7           H        GLY   7   9.857  27.799 -16.257
   30    HA2  GLY   7           1HA      GLY   7   8.816  25.333 -17.298
   31    HA3  GLY   7           2HA      GLY   7  10.447  25.955 -17.529
   32    H    LYS   8           H        LYS   8   9.609  23.216 -17.101
   33    HA   LYS   8           HA       LYS   8  11.344  22.468 -14.834
   34    HB2  LYS   8           1HB      LYS   8   9.695  20.939 -13.863
   35    HB3  LYS   8           2HB      LYS   8   9.171  22.619 -13.793
   36    HG2  LYS   8           1HG      LYS   8   7.711  22.185 -15.834
   37    HG3  LYS   8           2HG      LYS   8   8.200  20.490 -15.753
   38    HD2  LYS   8           1HD      LYS   8   6.052  20.697 -14.717
   39    HD3  LYS   8           2HD      LYS   8   7.229  20.371 -13.433
   40    HE2  LYS   8           1HE      LYS   8   7.276  22.791 -12.865
   41    HE3  LYS   8           2HE      LYS   8   6.162  23.135 -14.192
   42    HZ1  LYS   8           3HZ      LYS   8   4.490  21.772 -13.053
   43    HZ2  LYS   8           1HZ      LYS   8   4.993  22.973 -12.071
   44    HZ3  LYS   8           2HZ      LYS   8   5.524  21.449 -11.827
   45    H    ILE   9           H        ILE   9  12.094  20.361 -14.840
   46    HA   ILE   9           HA       ILE   9  12.001  18.848 -17.408
   47    HB   ILE   9           HB       ILE   9  14.517  19.881 -16.027
   48   HG12  ILE   9          1HG1      ILE   9  13.336  20.575 -18.759
   49   HG13  ILE   9          2HG1      ILE   9  13.381  21.638 -17.351
   50   HG21  ILE   9          1HG2      ILE   9  15.747  18.790 -17.888
   51   HG22  ILE   9          2HG2      ILE   9  14.892  17.632 -16.906
   52   HG23  ILE   9          3HG2      ILE   9  14.220  18.106 -18.489
   53   HD11  ILE   9          3HD1      ILE   9  15.105  22.360 -18.789
   54   HD12  ILE   9          1HD1      ILE   9  15.886  21.569 -17.406
   55   HD13  ILE   9          2HD1      ILE   9  15.766  20.733 -18.979
   56    H    PHE  10           H        PHE  10  12.398  16.624 -17.174
   57    HA   PHE  10           HA       PHE  10  12.293  15.621 -14.351
   58    HB2  PHE  10           1HB      PHE  10  10.902  14.586 -16.845
   59    HB3  PHE  10           2HB      PHE  10  10.767  13.921 -15.231
   60    HD1  PHE  10           2HD      PHE  10   9.546  15.125 -13.435
   61    HD2  PHE  10           1HD      PHE  10   9.729  16.646 -17.464
   62    HE1  PHE  10           2HE      PHE  10   7.656  16.661 -12.944
   63    HE2  PHE  10           1HE      PHE  10   7.833  18.176 -16.976
   64    HZ   PHE  10           HZ       PHE  10   6.784  18.169 -14.713
   65    H    THR  11           H        THR  11  14.221  14.676 -13.852
   66    HA   THR  11           HA       THR  11  15.553  12.956 -15.900
   67    HB   THR  11           HB       THR  11  16.863  14.592 -13.722
   68    HG1  THR  11           1HG      THR  11  17.487  15.916 -15.369
   69   HG21  THR  11          3HG2      THR  11  18.233  12.646 -14.335
   70   HG22  THR  11          1HG2      THR  11  18.949  14.142 -14.937
   71   HG23  THR  11          2HG2      THR  11  18.081  13.072 -16.055
   72    H    CYS  12           H        CYS  12  16.159  10.970 -15.436
   73    HA   CYS  12           HA       CYS  12  15.162   9.520 -13.164
   74    HB2  CYS  12           1HB      CYS  12  15.304   8.636 -15.435
   75    HB3  CYS  12           2HB      CYS  12  17.066   8.845 -15.437
   76    H    GLU  13           H        GLU  13  16.114   9.021 -11.297
   77    HA   GLU  13           HA       GLU  13  18.781  10.077 -10.657
   78    HB2  GLU  13           1HB      GLU  13  18.281   9.537  -8.380
   79    HB3  GLU  13           2HB      GLU  13  16.912  10.376  -9.103
   80    HG2  GLU  13           1HG      GLU  13  15.739   8.186  -9.394
   81    HG3  GLU  13           2HG      GLU  13  17.110   7.367  -8.636
   82    H    TYR  14           H        TYR  14  17.734   7.177 -12.008
   83    HA   TYR  14           HA       TYR  14  19.834   5.518 -10.681
   84    HB2  TYR  14           1HB      TYR  14  17.489   4.736 -12.413
   85    HB3  TYR  14           2HB      TYR  14  18.595   3.629 -11.625
   86    HD1  TYR  14           2HD      TYR  14  18.621   3.439  -9.114
   87    HD2  TYR  14           1HD      TYR  14  15.622   5.701 -11.237
   88    HE1  TYR  14           2HE      TYR  14  17.123   3.309  -7.130
   89    HE2  TYR  14           1HE      TYR  14  14.117   5.557  -9.245
   90    HH   TYR  14           HH       TYR  14  15.082   3.861  -6.245
   91    H    CYS  15           H        CYS  15  18.890   6.700 -13.913
   92    HA   CYS  15           HA       CYS  15  21.495   5.716 -14.953
   93    HB2  CYS  15           1HB      CYS  15  20.545   4.906 -16.966
   94    HB3  CYS  15           2HB      CYS  15  19.798   4.100 -15.589
   95    H    ASN  16           H        ASN  16  19.986   8.450 -14.295
   96    HA   ASN  16           HA       ASN  16  20.137  10.584 -14.888
   97    HB2  ASN  16           1HB      ASN  16  22.555   9.850 -14.609
   98    HB3  ASN  16           2HB      ASN  16  22.671   9.852 -16.368
   99   HD21  ASN  16          1HD2      ASN  16  24.269  11.529 -16.326
  100   HD22  ASN  16          2HD2      ASN  16  23.838  13.173 -15.882
  101    H    LYS  17           H        LYS  17  18.808   8.734 -16.985
  102    HA   LYS  17           HA       LYS  17  18.806  10.297 -19.449
  103    HB2  LYS  17           1HB      LYS  17  16.865   8.310 -18.215
  104    HB3  LYS  17           2HB      LYS  17  16.545   9.124 -19.761
  105    HG2  LYS  17           1HG      LYS  17  18.524   8.146 -20.778
  106    HG3  LYS  17           2HG      LYS  17  19.013   7.471 -19.215
  107    HD2  LYS  17           1HD      LYS  17  16.746   6.236 -19.194
  108    HD3  LYS  17           2HD      LYS  17  16.525   6.776 -20.854
  109    HE2  LYS  17           1HE      LYS  17  17.301   4.483 -20.732
  110    HE3  LYS  17           2HE      LYS  17  18.476   5.500 -21.576
  111    HZ1  LYS  17           3HZ      LYS  17  19.430   3.924 -19.846
  112    HZ2  LYS  17           1HZ      LYS  17  18.745   4.869 -18.677
  113    HZ3  LYS  17           2HZ      LYS  17  19.880   5.484 -19.662
  114    H    VAL  18           H        VAL  18  17.418  11.832 -20.100
  115    HA   VAL  18           HA       VAL  18  15.621  13.075 -18.068
  116    HB   VAL  18           HB       VAL  18  17.530  14.373 -17.986
  117   HG11  VAL  18          1HG1      VAL  18  17.497  14.705 -20.991
  118   HG12  VAL  18          2HG1      VAL  18  18.532  15.583 -19.833
  119   HG13  VAL  18          3HG1      VAL  18  18.710  13.840 -20.004
  120   HG21  VAL  18          3HG2      VAL  18  16.730  16.566 -18.557
  121   HG22  VAL  18          1HG2      VAL  18  15.599  15.918 -19.762
  122   HG23  VAL  18          2HG2      VAL  18  15.356  15.588 -18.028
  123    H    PHE  19           H        PHE  19  13.782  13.866 -18.597
  124    HA   PHE  19           HA       PHE  19  12.664  13.344 -21.306
  125    HB2  PHE  19           1HB      PHE  19  11.467  12.704 -18.578
  126    HB3  PHE  19           2HB      PHE  19  10.723  12.376 -20.128
  127    HD1  PHE  19           1HD      PHE  19  13.303  11.317 -17.714
  128    HD2  PHE  19           2HD      PHE  19  11.544  10.502 -21.563
  129    HE1  PHE  19           1HE      PHE  19  14.463   9.125 -17.777
  130    HE2  PHE  19           2HE      PHE  19  12.718   8.313 -21.631
  131    HZ   PHE  19           HZ       PHE  19  14.210   7.626 -19.758
  132    H    LYS  20           H        LYS  20  10.924  14.654 -21.935
  133    HA   LYS  20           HA       LYS  20  10.951  17.364 -20.837
  134    HB2  LYS  20           1HB      LYS  20   9.361  16.115 -23.114
  135    HB3  LYS  20           2HB      LYS  20   9.374  17.836 -22.710
  136    HG2  LYS  20           1HG      LYS  20  11.874  17.853 -23.027
  137    HG3  LYS  20           2HG      LYS  20  11.775  16.194 -23.628
  138    HD2  LYS  20           1HD      LYS  20  10.393  18.625 -24.851
  139    HD3  LYS  20           2HD      LYS  20  11.874  17.864 -25.446
  140    HE2  LYS  20           1HE      LYS  20  10.619  15.739 -25.827
  141    HE3  LYS  20           2HE      LYS  20   9.133  16.531 -25.288
  142    HZ1  LYS  20           3HZ      LYS  20   9.375  18.097 -27.144
  143    HZ2  LYS  20           1HZ      LYS  20   9.325  16.566 -27.709
  144    HZ3  LYS  20           2HZ      LYS  20  10.745  17.361 -27.642
  145    H    PHE  21           H        PHE  21   8.971  14.644 -20.180
  146    HA   PHE  21           HA       PHE  21   6.906  16.349 -18.863
  147    HB2  PHE  21           1HB      PHE  21   6.328  13.889 -20.540
  148    HB3  PHE  21           2HB      PHE  21   5.159  14.941 -19.761
  149    HD1  PHE  21           2HD      PHE  21   5.234  17.502 -20.509
  150    HD2  PHE  21           1HD      PHE  21   6.820  14.224 -22.818
  151    HE1  PHE  21           2HE      PHE  21   5.127  18.895 -22.563
  152    HE2  PHE  21           1HE      PHE  21   6.704  15.615 -24.871
  153    HZ   PHE  21           HZ       PHE  21   5.865  17.956 -24.745
  154    H    LYS  22           H        LYS  22   5.813  15.469 -17.126
  155    HA   LYS  22           HA       LYS  22   7.321  13.849 -15.363
  156    HB2  LYS  22           1HB      LYS  22   5.574  15.605 -14.806
  157    HB3  LYS  22           2HB      LYS  22   4.327  14.420 -15.202
  158    HG2  LYS  22           1HG      LYS  22   5.190  12.918 -13.419
  159    HG3  LYS  22           2HG      LYS  22   6.492  14.073 -13.073
  160    HD2  LYS  22           1HD      LYS  22   4.781  15.794 -12.480
  161    HD3  LYS  22           2HD      LYS  22   3.498  14.601 -12.784
  162    HE2  LYS  22           1HE      LYS  22   4.481  13.125 -11.030
  163    HE3  LYS  22           2HE      LYS  22   5.737  14.338 -10.725
  164    HZ1  LYS  22           3HZ      LYS  22   2.820  14.770 -10.336
  165    HZ2  LYS  22           1HZ      LYS  22   3.977  15.889 -10.053
  166    HZ3  LYS  22           2HZ      LYS  22   3.905  14.540  -9.141
  167    H    HIS  23           H        HIS  23   4.458  12.948 -17.311
  168    HA   HIS  23           HA       HIS  23   4.245  10.280 -16.335
  169    HB2  HIS  23           1HB      HIS  23   2.813   9.866 -18.244
  170    HB3  HIS  23           2HB      HIS  23   2.429  11.409 -17.498
  171    HD1  HIS  23           1HD      HIS  23   3.956   9.992 -20.748
  172    HD2  HIS  23           2HD      HIS  23   2.770  13.622 -18.983
  173    HE1  HIS  23           1HE      HIS  23   3.989  11.733 -22.605
  174    H    SER  24           H        SER  24   6.151  11.579 -19.078
  175    HA   SER  24           HA       SER  24   7.097   9.099 -20.091
  176    HB2  SER  24           1HB      SER  24   8.481  11.802 -20.089
  177    HB3  SER  24           2HB      SER  24   8.916  10.406 -21.093
  178    HG   SER  24           HG       SER  24   7.569  11.735 -22.289
  179    H    LEU  25           H        LEU  25   8.526  11.199 -17.518
  180    HA   LEU  25           HA       LEU  25  10.683   9.331 -16.987
  181    HB2  LEU  25           1HB      LEU  25  10.947  11.652 -16.354
  182    HB3  LEU  25           2HB      LEU  25   9.504  11.594 -15.340
  183    HG   LEU  25           HG       LEU  25  10.643   9.929 -13.847
  184   HD11  LEU  25          1HD1      LEU  25  13.060   9.585 -14.015
  185   HD12  LEU  25          2HD1      LEU  25  13.127  10.545 -15.505
  186   HD13  LEU  25          3HD1      LEU  25  12.280   8.983 -15.474
  187   HD21  LEU  25          3HD2      LEU  25  12.262  12.452 -14.203
  188   HD22  LEU  25          1HD2      LEU  25  12.157  11.451 -12.750
  189   HD23  LEU  25          2HD2      LEU  25  10.725  12.329 -13.311
  190    H    GLN  26           H        GLN  26   7.456   9.832 -15.413
  191    HA   GLN  26           HA       GLN  26   7.829   7.899 -13.371
  192    HB2  GLN  26           1HB      GLN  26   5.370   9.016 -14.755
  193    HB3  GLN  26           2HB      GLN  26   5.221   7.807 -13.494
  194    HG2  GLN  26           1HG      GLN  26   6.664  10.484 -13.153
  195    HG3  GLN  26           2HG      GLN  26   4.998  10.182 -12.676
  196   HE21  GLN  26          1HE2      GLN  26   7.004  11.077 -10.841
  197   HE22  GLN  26          2HE2      GLN  26   7.240   9.778  -9.681
  198    H    ALA  27           H        ALA  27   6.608   7.380 -16.705
  199    HA   ALA  27           HA       ALA  27   6.171   4.543 -16.282
  200    HB1  ALA  27           1HB      ALA  27   6.482   6.168 -18.827
  201    HB2  ALA  27           2HB      ALA  27   5.837   4.513 -18.697
  202    HB3  ALA  27           3HB      ALA  27   4.962   5.869 -17.946
  203    H    HIS  28           H        HIS  28   8.981   6.465 -17.414
  204    HA   HIS  28           HA       HIS  28  10.611   4.216 -18.171
  205    HB2  HIS  28           1HB      HIS  28  11.256   6.384 -18.934
  206    HB3  HIS  28           2HB      HIS  28  11.247   7.056 -17.304
  207    HD1  HIS  28           1HD      HIS  28  13.278   4.421 -19.290
  208    HD2  HIS  28           2HD      HIS  28  13.427   6.861 -15.873
  209    HE1  HIS  28           1HE      HIS  28  15.564   4.041 -18.273
  210    H    LEU  29           H        LEU  29  10.245   5.961 -15.053
  211    HA   LEU  29           HA       LEU  29  12.300   4.706 -13.633
  212    HB2  LEU  29           1HB      LEU  29   9.654   5.913 -12.772
  213    HB3  LEU  29           2HB      LEU  29  10.780   5.267 -11.590
  214    HG   LEU  29           HG       LEU  29  11.524   7.472 -13.551
  215   HD11  LEU  29          1HD1      LEU  29  10.709   7.630 -10.618
  216   HD12  LEU  29          2HD1      LEU  29   9.752   8.213 -11.998
  217   HD13  LEU  29          3HD1      LEU  29  11.299   8.982 -11.611
  218   HD21  LEU  29          3HD2      LEU  29  13.502   6.295 -12.732
  219   HD22  LEU  29          1HD2      LEU  29  12.905   6.414 -11.060
  220   HD23  LEU  29          2HD2      LEU  29  13.387   7.868 -11.958
  221    H    ARG  30           H        ARG  30   9.224   3.281 -14.453
  222    HA   ARG  30           HA       ARG  30   8.875   1.295 -12.499
  223    HB2  ARG  30           1HB      ARG  30   8.423   1.120 -15.513
  224    HB3  ARG  30           2HB      ARG  30   7.756  -0.004 -14.324
  225    HG2  ARG  30           1HG      ARG  30   6.468   1.799 -13.262
  226    HG3  ARG  30           2HG      ARG  30   7.161   2.987 -14.382
  227    HD2  ARG  30           1HD      ARG  30   6.186   1.756 -16.296
  228    HD3  ARG  30           2HD      ARG  30   5.423   0.618 -15.167
  229    HE   ARG  30           HE       ARG  30   4.554   3.072 -14.265
  230   HH11  ARG  30          2HH1      ARG  30   4.314   1.509 -17.392
  231   HH12  ARG  30          1HH1      ARG  30   2.867   2.379 -17.818
  232   HH21  ARG  30          2HH2      ARG  30   2.701   4.138 -14.867
  233   HH22  ARG  30          1HH2      ARG  30   1.981   3.825 -16.418
  234    H    ILE  31           H        ILE  31  11.307   1.265 -15.093
  235    HA   ILE  31           HA       ILE  31  11.975  -1.530 -14.782
  236    HB   ILE  31           HB       ILE  31  13.761  -1.189 -16.200
  237   HG12  ILE  31          1HG1      ILE  31  13.587   1.808 -15.753
  238   HG13  ILE  31          2HG1      ILE  31  14.880   0.720 -15.258
  239   HG21  ILE  31          1HG2      ILE  31  11.621   0.718 -17.218
  240   HG22  ILE  31          2HG2      ILE  31  12.669  -0.353 -18.165
  241   HG23  ILE  31          3HG2      ILE  31  11.420  -1.048 -17.130
  242   HD11  ILE  31          3HD1      ILE  31  15.302   0.171 -17.663
  243   HD12  ILE  31          1HD1      ILE  31  14.162   1.470 -18.102
  244   HD13  ILE  31          2HD1      ILE  31  15.643   1.852 -17.200
  245    H    HIS  32           H        HIS  32  12.878   1.292 -13.012
  246    HA   HIS  32           HA       HIS  32  15.178  -0.043 -11.666
  247    HB2  HIS  32           1HB      HIS  32  14.209   2.819 -11.414
  248    HB3  HIS  32           2HB      HIS  32  15.728   2.148 -10.845
  249    HD1  HIS  32           1HD      HIS  32  17.356   1.217 -13.095
  250    HD2  HIS  32           2HD      HIS  32  14.441   4.201 -13.522
  251    HE1  HIS  32           1HE      HIS  32  18.056   2.581 -15.125
  252    H    THR  33           H        THR  33  11.978   1.437 -10.947
  253    HA   THR  33           HA       THR  33  12.325   1.227  -8.082
  254    HB   THR  33           HB       THR  33   9.991   2.034  -7.969
  255    HG1  THR  33           1HG      THR  33   8.950   2.541  -9.884
  256   HG21  THR  33          3HG2      THR  33  11.839   3.655  -8.172
  257   HG22  THR  33          1HG2      THR  33  10.376   4.232  -8.986
  258   HG23  THR  33          2HG2      THR  33  11.728   3.585  -9.940
  259    H    ASN  34           H        ASN  34  11.153  -1.074 -10.380
  260    HA   ASN  34           HA       ASN  34  10.304  -2.824  -8.114
  261    HB2  ASN  34           1HB      ASN  34   8.319  -1.988  -9.354
  262    HB3  ASN  34           2HB      ASN  34   8.976  -2.669 -10.845
  263   HD21  ASN  34          1HD2      ASN  34   6.676  -3.681 -10.597
  264   HD22  ASN  34          2HD2      ASN  34   6.646  -5.225  -9.758
  265    H    GLU  35           H        GLU  35  11.452  -4.577  -7.947
  266    HA   GLU  35           HA       GLU  35  12.635  -5.929 -10.335
  267    HB2  GLU  35           1HB      GLU  35  14.024  -5.474  -7.665
  268    HB3  GLU  35           2HB      GLU  35  14.655  -6.424  -9.016
  269    HG2  GLU  35           1HG      GLU  35  14.631  -4.367 -10.442
  270    HG3  GLU  35           2HG      GLU  35  14.157  -3.422  -9.026
  271    H    LYS  36           H        LYS  36  10.215  -6.347  -8.333
  272    HA   LYS  36           HA       LYS  36  10.969  -8.686  -6.791
  273    HB2  LYS  36           1HB      LYS  36   8.443  -7.101  -7.185
  274    HB3  LYS  36           2HB      LYS  36   8.335  -8.718  -6.520
  275    HG2  LYS  36           1HG      LYS  36   8.407  -7.156  -4.716
  276    HG3  LYS  36           2HG      LYS  36   9.881  -8.127  -4.696
  277    HD2  LYS  36           1HD      LYS  36  11.163  -6.251  -5.649
  278    HD3  LYS  36           2HD      LYS  36   9.670  -5.290  -5.808
  279    HE2  LYS  36           1HE      LYS  36   9.352  -5.406  -3.344
  280    HE3  LYS  36           2HE      LYS  36  10.831  -6.362  -3.192
  281    HZ1  LYS  36           3HZ      LYS  36  10.706  -3.567  -4.206
  282    HZ2  LYS  36           1HZ      LYS  36  12.076  -4.453  -4.064
  283    HZ3  LYS  36           2HZ      LYS  36  11.242  -4.016  -2.736
  284    HA   PRO  37           HA       PRO  37  10.276 -11.622 -10.033
  285    HB2  PRO  37           1HB      PRO  37  10.470 -13.987  -8.644
  286    HB3  PRO  37           2HB      PRO  37  11.847 -12.906  -8.984
  287    HG2  PRO  37           1HG      PRO  37  10.195 -13.054  -6.449
  288    HG3  PRO  37           2HG      PRO  37  11.979 -13.050  -6.606
  289    HD2  PRO  37           1HD      PRO  37  10.586 -10.779  -6.057
  290    HD3  PRO  37           2HD      PRO  37  12.015 -10.751  -7.129
  291    H    TYR  38           H        TYR  38   8.223 -12.091  -7.102
  292    HA   TYR  38           HA       TYR  38   6.410 -13.828  -8.622
  293    HB2  TYR  38           1HB      TYR  38   6.336 -12.988  -5.712
  294    HB3  TYR  38           2HB      TYR  38   5.250 -14.127  -6.476
  295    HD1  TYR  38           1HD      TYR  38   6.233 -16.203  -7.647
  296    HD2  TYR  38           2HD      TYR  38   8.431 -13.747  -4.886
  297    HE1  TYR  38           1HE      TYR  38   7.850 -18.067  -7.283
  298    HE2  TYR  38           2HE      TYR  38  10.053 -15.607  -4.503
  299    HH   TYR  38           HH       TYR  38   9.752 -18.755  -6.199
  300    H    LYS  39           H        LYS  39   5.687 -12.437 -10.158
  301    HA   LYS  39           HA       LYS  39   4.132 -10.021  -9.490
  302    HB2  LYS  39           1HB      LYS  39   4.966 -11.292 -12.113
  303    HB3  LYS  39           2HB      LYS  39   3.993  -9.820 -11.997
  304    HG2  LYS  39           1HG      LYS  39   5.757  -8.630 -10.856
  305    HG3  LYS  39           2HG      LYS  39   6.732 -10.097 -10.694
  306    HD2  LYS  39           1HD      LYS  39   6.917 -10.235 -13.165
  307    HD3  LYS  39           2HD      LYS  39   5.985  -8.726 -13.313
  308    HE2  LYS  39           1HE      LYS  39   7.714  -7.538 -11.972
  309    HE3  LYS  39           2HE      LYS  39   8.632  -9.039 -11.816
  310    HZ1  LYS  39           3HZ      LYS  39   8.902  -9.051 -14.241
  311    HZ2  LYS  39           1HZ      LYS  39   9.495  -7.663 -13.622
  312    HZ3  LYS  39           2HZ      LYS  39   8.054  -7.662 -14.389
  313    H    CYS  40           H        CYS  40   2.036  -9.651  -9.870
  314    HA   CYS  40           HA       CYS  40   0.184 -11.881  -9.824
  315    HB2  CYS  40           1HB      CYS  40  -0.116  -9.908  -8.484
  316    HB3  CYS  40           2HB      CYS  40  -0.171  -8.879  -9.931
  317    HA   PRO  41           HA       PRO  41  -0.531 -11.828 -14.315
  318    HB2  PRO  41           1HB      PRO  41  -2.519 -13.666 -14.490
  319    HB3  PRO  41           2HB      PRO  41  -0.844 -14.121 -14.053
  320    HG2  PRO  41           1HG      PRO  41  -3.186 -13.629 -12.184
  321    HG3  PRO  41           2HG      PRO  41  -2.053 -15.015 -12.194
  322    HD2  PRO  41           1HD      PRO  41  -1.746 -12.823 -10.557
  323    HD3  PRO  41           2HD      PRO  41  -0.352 -13.749 -11.192
  324    H    GLN  42           H        GLN  42  -2.739 -10.772 -11.845
  325    HA   GLN  42           HA       GLN  42  -4.770  -9.850 -13.839
  326    HB2  GLN  42           1HB      GLN  42  -4.928 -10.455 -10.876
  327    HB3  GLN  42           2HB      GLN  42  -6.212  -9.629 -11.751
  328    HG2  GLN  42           1HG      GLN  42  -5.171 -12.395 -12.509
  329    HG3  GLN  42           2HG      GLN  42  -6.536 -12.107 -11.440
  330   HE21  GLN  42          1HE2      GLN  42  -8.456 -10.931 -12.364
  331   HE22  GLN  42          2HE2      GLN  42  -8.784 -11.136 -14.079
  332    H    CYS  43           H        CYS  43  -2.478  -8.522 -11.394
  333    HA   CYS  43           HA       CYS  43  -3.188  -5.838 -12.408
  334    HB2  CYS  43           1HB      CYS  43  -3.561  -4.921 -10.231
  335    HB3  CYS  43           2HB      CYS  43  -4.657  -6.276 -10.460
  336    H    SER  44           H        SER  44  -1.693  -4.213 -11.004
  337    HA   SER  44           HA       SER  44   0.965  -4.688 -11.986
  338    HB2  SER  44           1HB      SER  44  -0.029  -2.484 -10.147
  339    HB3  SER  44           2HB      SER  44   1.457  -2.466 -11.114
  340    HG   SER  44           HG       SER  44  -0.267  -1.341 -12.142
  341    H    TYR  45           H        TYR  45  -0.316  -5.971  -9.214
  342    HA   TYR  45           HA       TYR  45   1.566  -5.478  -7.171
  343    HB2  TYR  45           1HB      TYR  45  -0.629  -6.401  -6.792
  344    HB3  TYR  45           2HB      TYR  45  -0.282  -7.802  -7.788
  345    HD1  TYR  45           1HD      TYR  45   1.375  -9.567  -6.904
  346    HD2  TYR  45           2HD      TYR  45   0.041  -6.240  -4.495
  347    HE1  TYR  45           1HE      TYR  45   2.174 -10.726  -4.854
  348    HE2  TYR  45           2HE      TYR  45   0.825  -7.414  -2.449
  349    HH   TYR  45           HH       TYR  45   1.801  -9.286  -1.594
  350    H    ALA  46           H        ALA  46   3.379  -6.417  -6.500
  351    HA   ALA  46           HA       ALA  46   4.315  -8.962  -7.554
  352    HB1  ALA  46           1HB      ALA  46   5.285  -7.247  -9.121
  353    HB2  ALA  46           2HB      ALA  46   6.131  -6.523  -7.740
  354    HB3  ALA  46           3HB      ALA  46   6.506  -8.190  -8.250
  355    H    SER  47           H        SER  47   5.763 -10.055  -6.148
  356    HA   SER  47           HA       SER  47   6.707  -8.647  -3.707
  357    HB2  SER  47           1HB      SER  47   4.468  -9.796  -3.268
  358    HB3  SER  47           2HB      SER  47   5.319 -11.335  -3.490
  359    HG   SER  47           HG       SER  47   5.791  -9.274  -1.573
  360    H    ALA  48           H        ALA  48   8.215  -9.944  -2.416
  361    HA   ALA  48           HA       ALA  48  10.174 -11.392  -4.089
  362    HB1  ALA  48           1HB      ALA  48  10.916  -9.564  -2.608
  363    HB2  ALA  48           2HB      ALA  48  10.289 -10.451  -1.196
  364    HB3  ALA  48           3HB      ALA  48  11.636 -11.117  -2.143
  365    H    ILE  49           H        ILE  49   7.489 -12.274  -2.245
  366    HA   ILE  49           HA       ILE  49   8.561 -15.008  -1.645
  367    HB   ILE  49           HB       ILE  49   6.502 -13.363  -0.156
  368   HG12  ILE  49          1HG1      ILE  49   8.780 -12.455   0.224
  369   HG13  ILE  49          2HG1      ILE  49   8.007 -13.080   1.657
  370   HG21  ILE  49          1HG2      ILE  49   6.706 -15.146   1.611
  371   HG22  ILE  49          2HG2      ILE  49   5.934 -15.663   0.122
  372   HG23  ILE  49          3HG2      ILE  49   7.611 -16.131   0.437
  373   HD11  ILE  49          3HD1      ILE  49  10.409 -13.695   1.518
  374   HD12  ILE  49          1HD1      ILE  49   9.350 -15.116   1.587
  375   HD13  ILE  49          2HD1      ILE  49  10.075 -14.625   0.039
  376    H    LYS  50           H        LYS  50   7.488 -16.698  -2.491
  377    HA   LYS  50           HA       LYS  50   5.303 -16.383  -4.325
  378    HB2  LYS  50           1HB      LYS  50   7.097 -18.196  -4.278
  379    HB3  LYS  50           2HB      LYS  50   6.194 -18.964  -2.969
  380    HG2  LYS  50           1HG      LYS  50   4.214 -19.165  -4.467
  381    HG3  LYS  50           2HG      LYS  50   5.105 -18.338  -5.758
  382    HD2  LYS  50           1HD      LYS  50   6.783 -20.171  -5.772
  383    HD3  LYS  50           2HD      LYS  50   5.886 -20.997  -4.478
  384    HE2  LYS  50           1HE      LYS  50   3.886 -21.125  -5.954
  385    HE3  LYS  50           2HE      LYS  50   4.783 -20.309  -7.242
  386    HZ1  LYS  50           3HZ      LYS  50   5.502 -22.949  -6.074
  387    HZ2  LYS  50           1HZ      LYS  50   6.332 -22.197  -7.264
  388    HZ3  LYS  50           2HZ      LYS  50   4.811 -22.721  -7.534
  389    H    ALA  51           H        ALA  51   5.363 -17.417  -0.920
  390    HA   ALA  51           HA       ALA  51   2.576 -17.962  -0.657
  391    HB1  ALA  51           1HB      ALA  51   4.294 -18.689   0.962
  392    HB2  ALA  51           2HB      ALA  51   4.545 -16.999   1.462
  393    HB3  ALA  51           3HB      ALA  51   2.983 -17.786   1.743
  394    H    ASN  52           H        ASN  52   4.361 -14.802  -0.343
  395    HA   ASN  52           HA       ASN  52   2.041 -13.283   0.424
  396    HB2  ASN  52           1HB      ASN  52   4.535 -12.488  -1.137
  397    HB3  ASN  52           2HB      ASN  52   3.282 -11.361  -0.671
  398   HD21  ASN  52          1HD2      ASN  52   5.683 -10.732   0.124
  399   HD22  ASN  52          2HD2      ASN  52   5.843 -10.975   1.867
  400    H    LEU  53           H        LEU  53   3.297 -14.111  -2.870
  401    HA   LEU  53           HA       LEU  53   1.177 -12.820  -4.262
  402    HB2  LEU  53           1HB      LEU  53   3.264 -13.473  -5.338
  403    HB3  LEU  53           2HB      LEU  53   2.913 -15.182  -5.062
  404    HG   LEU  53           HG       LEU  53   0.921 -15.012  -6.545
  405   HD11  LEU  53          1HD1      LEU  53   1.940 -12.194  -7.119
  406   HD12  LEU  53          2HD1      LEU  53   0.397 -12.605  -6.334
  407   HD13  LEU  53          3HD1      LEU  53   0.665 -13.049  -8.017
  408   HD21  LEU  53          3HD2      LEU  53   2.110 -14.926  -8.638
  409   HD22  LEU  53          1HD2      LEU  53   3.136 -15.708  -7.423
  410   HD23  LEU  53          2HD2      LEU  53   3.440 -14.020  -7.901
  411    H    ASN  54           H        ASN  54   1.315 -16.160  -2.903
  412    HA   ASN  54           HA       ASN  54  -1.232 -16.975  -3.931
  413    HB2  ASN  54           1HB      ASN  54   0.458 -18.519  -3.018
  414    HB3  ASN  54           2HB      ASN  54   0.232 -17.846  -1.405
  415   HD21  ASN  54          1HD2      ASN  54  -1.456 -18.667  -0.127
  416   HD22  ASN  54          2HD2      ASN  54  -2.624 -19.822  -0.748
  417    H    VAL  55           H        VAL  55  -0.417 -15.324  -0.852
  418    HA   VAL  55           HA       VAL  55  -3.121 -15.090   0.134
  419    HB   VAL  55           HB       VAL  55  -0.575 -13.547   0.742
  420   HG11  VAL  55          1HG1      VAL  55  -1.698 -12.840   2.857
  421   HG12  VAL  55          2HG1      VAL  55  -2.405 -12.084   1.430
  422   HG13  VAL  55          3HG1      VAL  55  -3.243 -13.445   2.215
  423   HG21  VAL  55          3HG2      VAL  55  -2.088 -15.693   2.294
  424   HG22  VAL  55          1HG2      VAL  55  -0.622 -15.973   1.342
  425   HG23  VAL  55          2HG2      VAL  55  -0.551 -14.929   2.763
  426    H    HIS  56           H        HIS  56  -1.314 -13.233  -2.199
  427    HA   HIS  56           HA       HIS  56  -3.325 -11.101  -2.402
  428    HB2  HIS  56           1HB      HIS  56  -0.966 -10.641  -2.795
  429    HB3  HIS  56           2HB      HIS  56  -0.907 -11.834  -4.095
  430    HD1  HIS  56           1HD      HIS  56  -2.753  -8.518  -3.332
  431    HD2  HIS  56           2HD      HIS  56  -1.577 -11.041  -6.483
  432    HE1  HIS  56           1HE      HIS  56  -3.516  -7.368  -5.447
  433    H    LEU  57           H        LEU  57  -2.519 -13.959  -4.451
  434    HA   LEU  57           HA       LEU  57  -4.432 -13.453  -6.494
  435    HB2  LEU  57           1HB      LEU  57  -3.136 -15.922  -5.384
  436    HB3  LEU  57           2HB      LEU  57  -4.251 -16.046  -6.733
  437    HG   LEU  57           HG       LEU  57  -1.763 -14.285  -6.838
  438   HD11  LEU  57          1HD1      LEU  57  -1.132 -16.627  -6.409
  439   HD12  LEU  57          2HD1      LEU  57  -0.725 -16.158  -8.071
  440   HD13  LEU  57          3HD1      LEU  57  -2.160 -17.165  -7.756
  441   HD21  LEU  57          3HD2      LEU  57  -2.087 -14.611  -9.286
  442   HD22  LEU  57          1HD2      LEU  57  -3.426 -13.725  -8.540
  443   HD23  LEU  57          2HD2      LEU  57  -3.619 -15.443  -8.967
  444    H    ARG  58           H        ARG  58  -4.880 -15.134  -3.370
  445    HA   ARG  58           HA       ARG  58  -7.578 -15.970  -3.881
  446    HB2  ARG  58           1HB      ARG  58  -7.786 -16.385  -1.547
  447    HB3  ARG  58           2HB      ARG  58  -6.203 -16.910  -2.121
  448    HG2  ARG  58           1HG      ARG  58  -5.149 -14.930  -1.187
  449    HG3  ARG  58           2HG      ARG  58  -6.699 -14.294  -0.618
  450    HD2  ARG  58           1HD      ARG  58  -5.490 -16.954   0.228
  451    HD3  ARG  58           2HD      ARG  58  -5.293 -15.436   1.132
  452    HE   ARG  58           HE       ARG  58  -8.062 -15.789   0.772
  453   HH11  ARG  58          2HH1      ARG  58  -5.525 -17.467   2.514
  454   HH12  ARG  58          1HH1      ARG  58  -6.631 -18.067   3.720
  455   HH21  ARG  58          2HH2      ARG  58  -9.415 -16.599   2.336
  456   HH22  ARG  58          1HH2      ARG  58  -8.772 -17.584   3.615
  457    H    LYS  59           H        LYS  59  -6.463 -12.790  -3.461
  458    HA   LYS  59           HA       LYS  59  -9.083 -11.659  -2.676
  459    HB2  LYS  59           1HB      LYS  59  -6.688 -10.166  -3.812
  460    HB3  LYS  59           2HB      LYS  59  -8.070  -9.507  -2.940
  461    HG2  LYS  59           1HG      LYS  59  -7.344 -10.870  -0.920
  462    HG3  LYS  59           2HG      LYS  59  -5.864 -11.275  -1.814
  463    HD2  LYS  59           1HD      LYS  59  -5.295  -8.877  -1.989
  464    HD3  LYS  59           2HD      LYS  59  -6.773  -8.464  -1.086
  465    HE2  LYS  59           1HE      LYS  59  -5.968  -9.871   0.820
  466    HE3  LYS  59           2HE      LYS  59  -4.477 -10.206  -0.065
  467    HZ1  LYS  59           3HZ      LYS  59  -5.382  -7.508   0.806
  468    HZ2  LYS  59           1HZ      LYS  59  -3.998  -7.801  -0.012
  469    HZ3  LYS  59           2HZ      LYS  59  -4.189  -8.370   1.505
  470    H    HIS  60           H        HIS  60  -7.566 -12.675  -5.603
  471    HA   HIS  60           HA       HIS  60  -9.318 -11.082  -7.344
  472    HB2  HIS  60           1HB      HIS  60  -7.000 -12.954  -7.902
  473    HB3  HIS  60           2HB      HIS  60  -7.977 -12.258  -9.172
  474    HD1  HIS  60           1HD      HIS  60  -8.190  -9.304  -8.778
  475    HD2  HIS  60           2HD      HIS  60  -4.825 -11.587  -7.602
  476    HE1  HIS  60           1HE      HIS  60  -6.253  -7.695  -8.742
  477    H    THR  61           H        THR  61 -10.566 -13.220  -5.616
  478    HA   THR  61           HA       THR  61 -11.590 -15.228  -7.461
  479    HB   THR  61           HB       THR  61 -13.361 -15.525  -5.672
  480    HG1  THR  61           1HG      THR  61 -13.207 -13.452  -4.734
  481   HG21  THR  61          3HG2      THR  61 -10.441 -15.694  -4.807
  482   HG22  THR  61          1HG2      THR  61 -11.335 -16.916  -5.735
  483   HG23  THR  61          2HG2      THR  61 -11.805 -16.559  -4.063
  484    H    GLY  62           H        GLY  62 -13.320 -15.152  -8.803
  485    HA2  GLY  62           1HA      GLY  62 -15.185 -14.398  -9.912
  486    HA3  GLY  62           2HA      GLY  62 -15.525 -13.322  -8.557
  487    H    GLU  63           H        GLU  63 -12.452 -12.976 -10.259
  488    HA   GLU  63           HA       GLU  63 -13.099 -10.256 -11.082
  489    HB2  GLU  63           1HB      GLU  63 -10.636 -12.025 -11.262
  490    HB3  GLU  63           2HB      GLU  63 -10.664 -10.393 -11.910
  491    HG2  GLU  63           1HG      GLU  63 -11.360 -10.886  -8.997
  492    HG3  GLU  63           2HG      GLU  63  -9.701 -10.808  -9.584
  493    H    LYS  64           H        LYS  64 -12.371  -9.493 -13.127
  494    HA   LYS  64           HA       LYS  64 -13.584 -10.814 -15.434
  495    HB2  LYS  64           1HB      LYS  64 -11.956  -8.268 -15.077
  496    HB3  LYS  64           2HB      LYS  64 -12.457  -8.833 -16.663
  497    HG2  LYS  64           1HG      LYS  64 -14.373  -8.107 -14.407
  498    HG3  LYS  64           2HG      LYS  64 -13.915  -7.081 -15.768
  499    HD2  LYS  64           1HD      LYS  64 -14.794  -9.021 -17.286
  500    HD3  LYS  64           2HD      LYS  64 -15.523  -9.654 -15.825
  501    HE2  LYS  64           1HE      LYS  64 -17.215  -8.421 -16.905
  502    HE3  LYS  64           2HE      LYS  64 -16.708  -7.443 -15.520
  503    HZ1  LYS  64           3HZ      LYS  64 -15.375  -6.101 -17.085
  504    HZ2  LYS  64           1HZ      LYS  64 -16.938  -6.118 -17.551
  505    HZ3  LYS  64           2HZ      LYS  64 -15.851  -7.039 -18.347
  506    H    PHE  65           H        PHE  65 -12.700 -11.647 -17.167
  507    HA   PHE  65           HA       PHE  65  -9.750 -12.014 -17.441
  508    HB2  PHE  65           1HB      PHE  65 -11.982 -13.969 -18.137
  509    HB3  PHE  65           2HB      PHE  65 -10.303 -14.152 -18.613
  510    HD1  PHE  65           1HD      PHE  65 -12.602 -14.071 -15.682
  511    HD2  PHE  65           2HD      PHE  65  -8.636 -15.005 -17.081
  512    HE1  PHE  65           1HE      PHE  65 -12.138 -15.258 -13.554
  513    HE2  PHE  65           2HE      PHE  65  -8.161 -16.175 -14.941
  514    HZ   PHE  65           HZ       PHE  65  -9.914 -16.316 -13.181
  515    H    ALA  66           H        ALA  66  -8.975 -11.350 -19.430
  516    HA   ALA  66           HA       ALA  66 -10.971 -10.098 -21.270
  517    HB1  ALA  66           1HB      ALA  66  -9.359  -8.296 -21.549
  518    HB2  ALA  66           2HB      ALA  66  -9.740  -8.511 -19.829
  519    HB3  ALA  66           3HB      ALA  66  -8.203  -9.120 -20.483
  520    H    CYS  67           H        CYS  67 -10.692 -10.086 -23.424
  521    HA   CYS  67           HA       CYS  67  -9.197 -12.218 -24.660
  522    HB2  CYS  67           1HB      CYS  67 -11.449 -11.464 -25.280
  523    HB3  CYS  67           2HB      CYS  67 -10.780  -9.916 -25.810
  524    H    ASP  68           H        ASP  68  -7.574 -12.142 -26.110
  525    HA   ASP  68           HA       ASP  68  -5.646  -9.879 -25.908
  526    HB2  ASP  68           1HB      ASP  68  -4.963 -12.235 -25.334
  527    HB3  ASP  68           2HB      ASP  68  -5.243 -12.678 -27.018
  528    H    TYR  69           H        TYR  69  -8.061 -11.001 -27.981
  529    HA   TYR  69           HA       TYR  69  -6.751  -9.959 -30.467
  530    HB2  TYR  69           1HB      TYR  69  -8.907 -12.050 -30.129
  531    HB3  TYR  69           2HB      TYR  69  -8.178 -11.560 -31.650
  532    HD1  TYR  69           1HD      TYR  69  -5.720 -12.083 -32.065
  533    HD2  TYR  69           2HD      TYR  69  -7.921 -13.690 -28.721
  534    HE1  TYR  69           1HE      TYR  69  -4.002 -13.865 -31.792
  535    HE2  TYR  69           2HE      TYR  69  -6.201 -15.479 -28.455
  536    HH   TYR  69           HH       TYR  69  -3.340 -15.706 -30.599
  537    H    CYS  70           H        CYS  70  -9.435  -9.439 -28.330
  538    HA   CYS  70           HA       CYS  70 -10.232  -7.114 -29.885
  539    HB2  CYS  70           1HB      CYS  70 -12.569  -7.590 -30.044
  540    HB3  CYS  70           2HB      CYS  70 -11.674  -8.871 -30.837
  541    H    SER  71           H        SER  71 -12.326  -6.175 -28.516
  542    HA   SER  71           HA       SER  71 -11.193  -5.438 -25.934
  543    HB2  SER  71           1HB      SER  71 -13.793  -4.567 -27.236
  544    HB3  SER  71           2HB      SER  71 -12.990  -3.795 -25.856
  545    HG   SER  71           HG       SER  71 -12.517  -2.733 -27.839
  546    H    PHE  72           H        PHE  72 -12.962  -8.127 -26.633
  547    HA   PHE  72           HA       PHE  72 -15.149  -8.087 -24.833
  548    HB2  PHE  72           1HB      PHE  72 -14.943  -9.636 -26.687
  549    HB3  PHE  72           2HB      PHE  72 -13.501 -10.354 -25.979
  550    HD1  PHE  72           1HD      PHE  72 -17.192 -10.046 -25.632
  551    HD2  PHE  72           2HD      PHE  72 -13.623 -12.070 -24.298
  552    HE1  PHE  72           1HE      PHE  72 -18.584 -11.774 -24.512
  553    HE2  PHE  72           2HE      PHE  72 -15.016 -13.801 -23.197
  554    HZ   PHE  72           HZ       PHE  72 -17.499 -13.648 -23.296
  555    H    THR  73           H        THR  73 -15.542  -8.915 -22.828
  556    HA   THR  73           HA       THR  73 -13.382 -10.164 -21.276
  557    HB   THR  73           HB       THR  73 -13.936  -9.022 -19.211
  558    HG1  THR  73           1HG      THR  73 -15.470  -7.290 -20.850
  559   HG21  THR  73          3HG2      THR  73 -13.162  -6.969 -21.314
  560   HG22  THR  73          1HG2      THR  73 -12.058  -8.105 -20.509
  561   HG23  THR  73          2HG2      THR  73 -12.897  -6.869 -19.556
  562    H    CYS  74           H        CYS  74 -14.050 -11.505 -19.619
  563    HA   CYS  74           HA       CYS  74 -16.912 -12.097 -19.199
  564    HB2  CYS  74           1HB      CYS  74 -16.561 -14.510 -19.670
  565    HB3  CYS  74           2HB      CYS  74 -16.295 -13.517 -21.101
  566    HG   CYS  74           HG       CYS  74 -13.661 -13.333 -20.796
  567    H    LEU  75           H        LEU  75 -16.861 -14.137 -17.511
  568    HA   LEU  75           HA       LEU  75 -15.090 -13.191 -15.312
  569    HB2  LEU  75           1HB      LEU  75 -17.830 -13.080 -15.461
  570    HB3  LEU  75           2HB      LEU  75 -17.607 -14.619 -14.649
  571    HG   LEU  75           HG       LEU  75 -16.097 -13.371 -12.972
  572   HD11  LEU  75          1HD1      LEU  75 -16.438 -10.901 -12.854
  573   HD12  LEU  75          2HD1      LEU  75 -17.324 -10.952 -14.394
  574   HD13  LEU  75          3HD1      LEU  75 -15.600 -11.363 -14.335
  575   HD21  LEU  75          3HD2      LEU  75 -18.437 -13.960 -12.463
  576   HD22  LEU  75          1HD2      LEU  75 -18.993 -12.455 -13.230
  577   HD23  LEU  75          2HD2      LEU  75 -17.999 -12.396 -11.755
  578    H    SER  76           H        SER  76 -14.644 -15.514 -17.292
  579    HA   SER  76           HA       SER  76 -13.348 -17.222 -15.292
  580    HB2  SER  76           1HB      SER  76 -15.474 -18.351 -15.377
  581    HB3  SER  76           2HB      SER  76 -15.499 -18.302 -17.147
  582    HG   SER  76           HG       SER  76 -14.797 -20.339 -16.123
  583    H    LYS  77           H        LYS  77 -11.497 -18.141 -16.053
  584    HA   LYS  77           HA       LYS  77 -10.394 -17.513 -18.628
  585    HB2  LYS  77           1HB      LYS  77  -8.617 -19.059 -18.059
  586    HB3  LYS  77           2HB      LYS  77  -8.993 -18.007 -16.698
  587    HG2  LYS  77           1HG      LYS  77 -10.346 -19.870 -15.672
  588    HG3  LYS  77           2HG      LYS  77  -9.838 -20.929 -16.993
  589    HD2  LYS  77           1HD      LYS  77  -7.971 -19.556 -15.008
  590    HD3  LYS  77           2HD      LYS  77  -8.523 -21.235 -14.913
  591    HE2  LYS  77           1HE      LYS  77  -7.468 -21.702 -17.128
  592    HE3  LYS  77           2HE      LYS  77  -6.864 -20.040 -17.179
  593    HZ1  LYS  77           3HZ      LYS  77  -5.180 -21.564 -16.331
  594    HZ2  LYS  77           1HZ      LYS  77  -6.146 -22.049 -15.111
  595    HZ3  LYS  77           2HZ      LYS  77  -5.589 -20.513 -15.153
  596    H    GLY  78           H        GLY  78 -12.473 -20.154 -17.608
  597    HA2  GLY  78           1HA      GLY  78 -12.117 -21.846 -19.948
  598    HA3  GLY  78           2HA      GLY  78 -13.468 -21.869 -18.804
  599    H    HIS  79           H        HIS  79 -14.434 -19.238 -19.060
  600    HA   HIS  79           HA       HIS  79 -15.935 -19.335 -21.519
  601    HB2  HIS  79           1HB      HIS  79 -16.654 -18.349 -19.319
  602    HB3  HIS  79           2HB      HIS  79 -15.597 -16.976 -19.638
  603    HD1  HIS  79           1HD      HIS  79 -16.521 -16.828 -22.858
  604    HD2  HIS  79           2HD      HIS  79 -18.913 -17.025 -19.407
  605    HE1  HIS  79           1HE      HIS  79 -18.790 -15.839 -23.503
  606    H    LEU  80           H        LEU  80 -13.010 -17.521 -20.531
  607    HA   LEU  80           HA       LEU  80 -12.733 -16.008 -22.943
  608    HB2  LEU  80           1HB      LEU  80 -11.570 -15.419 -20.885
  609    HB3  LEU  80           2HB      LEU  80 -10.700 -16.950 -20.888
  610    HG   LEU  80           HG       LEU  80  -9.471 -16.313 -22.910
  611   HD11  LEU  80          1HD1      LEU  80 -10.937 -13.639 -22.722
  612   HD12  LEU  80          2HD1      LEU  80 -11.130 -14.839 -24.024
  613   HD13  LEU  80          3HD1      LEU  80  -9.581 -14.045 -23.797
  614   HD21  LEU  80          3HD2      LEU  80  -8.599 -15.703 -20.672
  615   HD22  LEU  80          1HD2      LEU  80  -9.401 -14.120 -20.807
  616   HD23  LEU  80          2HD2      LEU  80  -8.100 -14.558 -21.929
  617    H    LYS  81           H        LYS  81 -11.347 -19.198 -22.014
  618    HA   LYS  81           HA       LYS  81  -9.967 -19.740 -24.440
  619    HB2  LYS  81           1HB      LYS  81  -9.708 -20.949 -22.297
  620    HB3  LYS  81           2HB      LYS  81 -11.320 -21.629 -22.459
  621    HG2  LYS  81           1HG      LYS  81  -9.539 -23.218 -22.969
  622    HG3  LYS  81           2HG      LYS  81 -10.635 -22.994 -24.336
  623    HD2  LYS  81           1HD      LYS  81  -9.026 -21.862 -25.621
  624    HD3  LYS  81           2HD      LYS  81  -8.090 -21.362 -24.210
  625    HE2  LYS  81           1HE      LYS  81  -6.951 -23.083 -25.592
  626    HE3  LYS  81           2HE      LYS  81  -7.147 -23.525 -23.895
  627    HZ1  LYS  81           3HZ      LYS  81  -8.935 -24.994 -24.490
  628    HZ2  LYS  81           1HZ      LYS  81  -7.694 -25.338 -25.489
  629    HZ3  LYS  81           2HZ      LYS  81  -8.984 -24.483 -26.034
  630    H    VAL  82           H        VAL  82 -13.358 -20.476 -23.572
  631    HA   VAL  82           HA       VAL  82 -14.095 -21.581 -26.127
  632    HB   VAL  82           HB       VAL  82 -15.725 -20.306 -23.897
  633   HG11  VAL  82          1HG1      VAL  82 -17.713 -21.399 -24.937
  634   HG12  VAL  82          2HG1      VAL  82 -17.082 -20.073 -25.914
  635   HG13  VAL  82          3HG1      VAL  82 -16.734 -21.758 -26.378
  636   HG21  VAL  82          3HG2      VAL  82 -14.584 -22.486 -23.397
  637   HG22  VAL  82          1HG2      VAL  82 -16.345 -22.625 -23.398
  638   HG23  VAL  82          2HG2      VAL  82 -15.405 -23.210 -24.790
  639    H    HIS  83           H        HIS  83 -14.272 -18.167 -24.924
  640    HA   HIS  83           HA       HIS  83 -15.466 -17.056 -27.251
  641    HB2  HIS  83           1HB      HIS  83 -15.276 -15.738 -25.258
  642    HB3  HIS  83           2HB      HIS  83 -13.526 -15.914 -25.209
  643    HD1  HIS  83           1HD      HIS  83 -16.211 -13.945 -27.113
  644    HD2  HIS  83           2HD      HIS  83 -12.044 -14.304 -26.722
  645    HE1  HIS  83           1HE      HIS  83 -15.230 -11.979 -28.378
  646    H    ILE  84           H        ILE  84 -11.956 -17.562 -26.553
  647    HA   ILE  84           HA       ILE  84 -11.077 -16.510 -29.079
  648    HB   ILE  84           HB       ILE  84  -9.730 -18.425 -27.145
  649   HG12  ILE  84          1HG1      ILE  84  -9.252 -15.442 -27.645
  650   HG13  ILE  84          2HG1      ILE  84 -10.308 -16.035 -26.376
  651   HG21  ILE  84          1HG2      ILE  84  -8.537 -16.902 -29.519
  652   HG22  ILE  84          2HG2      ILE  84  -7.615 -17.850 -28.334
  653   HG23  ILE  84          3HG2      ILE  84  -8.725 -18.673 -29.413
  654   HD11  ILE  84          3HD1      ILE  84  -7.319 -16.539 -26.542
  655   HD12  ILE  84          1HD1      ILE  84  -8.186 -15.493 -25.409
  656   HD13  ILE  84          2HD1      ILE  84  -8.415 -17.252 -25.332
  657    H    GLU  85           H        GLU  85 -11.805 -19.889 -28.091
  658    HA   GLU  85           HA       GLU  85 -11.201 -21.109 -30.583
  659    HB2  GLU  85           1HB      GLU  85 -13.062 -21.842 -28.308
  660    HB3  GLU  85           2HB      GLU  85 -12.877 -22.865 -29.743
  661    HG2  GLU  85           1HG      GLU  85 -10.491 -23.076 -29.386
  662    HG3  GLU  85           2HG      GLU  85 -10.535 -21.992 -28.006
  663    H    ARG  86           H        ARG  86 -14.208 -19.484 -29.576
  664    HA   ARG  86           HA       ARG  86 -15.618 -20.329 -32.037
  665    HB2  ARG  86           1HB      ARG  86 -16.439 -18.664 -29.633
  666    HB3  ARG  86           2HB      ARG  86 -17.485 -18.963 -31.029
  667    HG2  ARG  86           1HG      ARG  86 -17.313 -21.404 -30.682
  668    HG3  ARG  86           2HG      ARG  86 -16.282 -21.144 -29.262
  669    HD2  ARG  86           1HD      ARG  86 -18.098 -19.873 -28.174
  670    HD3  ARG  86           2HD      ARG  86 -19.132 -20.126 -29.597
  671    HE   ARG  86           HE       ARG  86 -18.289 -22.677 -28.757
  672   HH11  ARG  86          2HH1      ARG  86 -20.297 -20.136 -27.423
  673   HH12  ARG  86          1HH1      ARG  86 -21.229 -21.251 -26.463
  674   HH21  ARG  86          2HH2      ARG  86 -19.518 -24.044 -27.510
  675   HH22  ARG  86          1HH2      ARG  86 -20.796 -23.406 -26.518
  676    H    VAL  87           H        VAL  87 -14.192 -17.309 -30.833
  677    HA   VAL  87           HA       VAL  87 -15.325 -15.842 -33.151
  678    HB   VAL  87           HB       VAL  87 -13.962 -14.766 -30.663
  679   HG11  VAL  87          1HG1      VAL  87 -15.085 -12.642 -31.276
  680   HG12  VAL  87          2HG1      VAL  87 -13.911 -13.126 -32.495
  681   HG13  VAL  87          3HG1      VAL  87 -15.644 -13.377 -32.793
  682   HG21  VAL  87          3HG2      VAL  87 -16.063 -15.916 -30.054
  683   HG22  VAL  87          1HG2      VAL  87 -16.296 -14.172 -29.969
  684   HG23  VAL  87          2HG2      VAL  87 -16.924 -15.075 -31.362
  685    H    HIS  88           H        HIS  88 -12.096 -16.731 -31.914
  686    HA   HIS  88           HA       HIS  88 -10.877 -15.070 -34.106
  687    HB2  HIS  88           1HB      HIS  88  -9.755 -15.803 -31.387
  688    HB3  HIS  88           2HB      HIS  88  -8.973 -14.794 -32.604
  689    HD1  HIS  88           1HD      HIS  88 -10.697 -12.527 -33.301
  690    HD2  HIS  88           2HD      HIS  88 -10.970 -14.430 -29.566
  691    HE1  HIS  88           1HE      HIS  88 -11.817 -10.852 -31.752
  692    H    LYS  89           H        LYS  89 -10.709 -18.281 -32.583
  693    HA   LYS  89           HA       LYS  89  -8.321 -19.104 -33.958
  694    HB2  LYS  89           1HB      LYS  89  -9.240 -19.967 -31.765
  695    HB3  LYS  89           2HB      LYS  89 -10.465 -20.848 -32.697
  696    HG2  LYS  89           1HG      LYS  89  -8.666 -22.096 -33.865
  697    HG3  LYS  89           2HG      LYS  89  -7.443 -21.171 -32.967
  698    HD2  LYS  89           1HD      LYS  89  -8.439 -22.038 -30.823
  699    HD3  LYS  89           2HD      LYS  89  -9.521 -23.069 -31.768
  700    HE2  LYS  89           1HE      LYS  89  -6.469 -23.125 -31.872
  701    HE3  LYS  89           2HE      LYS  89  -7.451 -24.201 -30.879
  702    HZ1  LYS  89           3HZ      LYS  89  -8.471 -25.073 -32.914
  703    HZ2  LYS  89           1HZ      LYS  89  -6.853 -25.267 -32.971
  704    HZ3  LYS  89           2HZ      LYS  89  -7.560 -24.089 -33.850
  705    H    LYS  90           H        LYS  90  -8.028 -20.036 -35.843
  706    HA   LYS  90           HA       LYS  90 -10.198 -20.228 -37.794
  707    HB2  LYS  90           1HB      LYS  90  -8.496 -20.680 -39.435
  708    HB3  LYS  90           2HB      LYS  90  -8.027 -19.305 -38.441
  709    HG2  LYS  90           1HG      LYS  90  -6.433 -20.698 -37.184
  710    HG3  LYS  90           2HG      LYS  90  -6.979 -22.146 -38.052
  711    HD2  LYS  90           1HD      LYS  90  -6.194 -21.185 -40.193
  712    HD3  LYS  90           2HD      LYS  90  -5.697 -19.710 -39.358
  713    HE2  LYS  90           1HE      LYS  90  -3.772 -21.119 -39.813
  714    HE3  LYS  90           2HE      LYS  90  -4.009 -20.950 -38.070
  715    HZ1  LYS  90           3HZ      LYS  90  -3.540 -23.273 -38.877
  716    HZ2  LYS  90           1HZ      LYS  90  -5.009 -23.294 -39.612
  717    HZ3  LYS  90           2HZ      LYS  90  -4.906 -23.160 -37.992
  718    H    ILE  91           H        ILE  91 -10.748 -21.996 -39.064
  719    HA   ILE  91           HA       ILE  91 -10.559 -24.632 -37.725
  720    HB   ILE  91           HB       ILE  91 -12.769 -23.526 -38.084
  721   HG12  ILE  91          1HG1      ILE  91 -14.040 -25.410 -38.876
  722   HG13  ILE  91          2HG1      ILE  91 -12.620 -26.165 -39.584
  723   HG21  ILE  91          1HG2      ILE  91 -13.795 -23.471 -40.302
  724   HG22  ILE  91          2HG2      ILE  91 -12.335 -22.483 -40.295
  725   HG23  ILE  91          3HG2      ILE  91 -12.313 -24.094 -41.047
  726   HD11  ILE  91          3HD1      ILE  91 -11.657 -26.521 -37.345
  727   HD12  ILE  91          1HD1      ILE  91 -12.993 -25.604 -36.604
  728   HD13  ILE  91          2HD1      ILE  91 -13.306 -27.159 -37.399
  729    H    LYS  92           H        LYS  92  -9.045 -23.079 -40.195
  730    HA   LYS  92           HA       LYS  92  -8.809 -25.356 -42.082
  731    HB2  LYS  92           1HB      LYS  92  -7.862 -22.469 -42.263
  732    HB3  LYS  92           2HB      LYS  92  -7.623 -23.706 -43.503
  733    HG2  LYS  92           1HG      LYS  92 -10.085 -23.967 -43.743
  734    HG3  LYS  92           2HG      LYS  92 -10.342 -22.753 -42.486
  735    HD2  LYS  92           1HD      LYS  92 -10.677 -21.713 -44.618
  736    HD3  LYS  92           2HD      LYS  92  -9.209 -21.046 -43.890
  737    HE2  LYS  92           1HE      LYS  92  -7.823 -22.537 -45.317
  738    HE3  LYS  92           2HE      LYS  92  -9.288 -23.253 -46.003
  739    HZ1  LYS  92           3HZ      LYS  92  -8.500 -20.399 -46.274
  740    HZ2  LYS  92           1HZ      LYS  92  -9.851 -21.062 -46.912
  741    HZ3  LYS  92           2HZ      LYS  92  -8.383 -21.526 -47.448
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -21.304  16.439  -5.911
    2    H2   GLY   1           2H       GLY   1 -21.333  17.490  -4.656
    3    H3   GLY   1           3H       GLY   1 -22.392  17.666  -5.894
    4    HA2  GLY   1           1HA      GLY   1 -23.515  16.735  -3.985
    5    HA3  GLY   1           2HA      GLY   1 -23.494  15.605  -5.351
    6    H    SER   2           H        SER   2 -23.835  14.899  -2.634
    7    HA   SER   2           HA       SER   2 -23.237  13.465  -1.025
    8    HB2  SER   2           1HB      SER   2 -21.226  12.347  -2.994
    9    HB3  SER   2           2HB      SER   2 -21.790  11.569  -1.510
   10    HG   SER   2           HG       SER   2 -22.947  10.858  -3.372
   11    H    SER   3           H        SER   3 -21.623  12.710   0.552
   12    HA   SER   3           HA       SER   3 -20.073  14.924   1.516
   13    HB2  SER   3           1HB      SER   3 -20.108  12.035   2.465
   14    HB3  SER   3           2HB      SER   3 -19.476  13.432   3.360
   15    HG   SER   3           HG       SER   3 -21.631  12.894   3.979
   16    H    GLY   4           H        GLY   4 -17.887  15.258   1.687
   17    HA2  GLY   4           1HA      GLY   4 -16.060  13.923  -0.161
   18    HA3  GLY   4           2HA      GLY   4 -15.673  15.223   0.959
   19    H    SER   5           H        SER   5 -14.034  12.954   0.450
   20    HA   SER   5           HA       SER   5 -14.207  11.001   2.571
   21    HB2  SER   5           1HB      SER   5 -11.802  11.804   0.896
   22    HB3  SER   5           2HB      SER   5 -11.975  10.317   1.841
   23    HG   SER   5           HG       SER   5 -13.706   9.711   0.472
   24    H    SER   6           H        SER   6 -13.067  10.809   4.489
   25    HA   SER   6           HA       SER   6 -12.271  13.251   5.831
   26    HB2  SER   6           1HB      SER   6 -12.043  10.359   6.737
   27    HB3  SER   6           2HB      SER   6 -11.852  11.798   7.757
   28    HG   SER   6           HG       SER   6 -13.976  10.921   7.882
   29    H    GLY   7           H        GLY   7 -10.282  13.945   6.500
   30    HA2  GLY   7           1HA      GLY   7  -7.996  14.132   6.730
   31    HA3  GLY   7           2HA      GLY   7  -7.858  12.404   6.434
   32    H    LYS   8           H        LYS   8  -5.836  13.260   5.455
   33    HA   LYS   8           HA       LYS   8  -5.951  14.504   2.801
   34    HB2  LYS   8           1HB      LYS   8  -4.127  14.933   4.415
   35    HB3  LYS   8           2HB      LYS   8  -3.636  13.238   4.338
   36    HG2  LYS   8           1HG      LYS   8  -3.017  13.456   1.992
   37    HG3  LYS   8           2HG      LYS   8  -3.670  15.099   1.916
   38    HD2  LYS   8           1HD      LYS   8  -1.332  14.238   3.679
   39    HD3  LYS   8           2HD      LYS   8  -1.172  14.949   2.068
   40    HE2  LYS   8           1HE      LYS   8  -2.389  16.982   2.848
   41    HE3  LYS   8           2HE      LYS   8  -2.487  16.292   4.474
   42    HZ1  LYS   8           3HZ      LYS   8   0.041  16.933   3.048
   43    HZ2  LYS   8           1HZ      LYS   8  -0.049  16.292   4.550
   44    HZ3  LYS   8           2HZ      LYS   8  -0.600  17.803   4.269
   45    H    ILE   9           H        ILE   9  -5.309  13.570   0.865
   46    HA   ILE   9           HA       ILE   9  -5.817  10.630   0.611
   47    HB   ILE   9           HB       ILE   9  -6.500  12.842  -1.358
   48   HG12  ILE   9          1HG1      ILE   9  -8.364  11.142   0.376
   49   HG13  ILE   9          2HG1      ILE   9  -7.964  12.827   0.699
   50   HG21  ILE   9          1HG2      ILE   9  -7.656  11.038  -2.609
   51   HG22  ILE   9          2HG2      ILE   9  -5.935  10.758  -2.502
   52   HG23  ILE   9          3HG2      ILE   9  -7.041   9.849  -1.439
   53   HD11  ILE   9          3HD1      ILE   9  -9.544  11.804  -1.668
   54   HD12  ILE   9          1HD1      ILE   9 -10.079  12.838  -0.334
   55   HD13  ILE   9          2HD1      ILE   9  -8.922  13.471  -1.518
   56    H    PHE  10           H        PHE  10  -4.445   9.431  -0.608
   57    HA   PHE  10           HA       PHE  10  -1.927  10.746  -1.568
   58    HB2  PHE  10           1HB      PHE  10  -2.289   8.116  -0.083
   59    HB3  PHE  10           2HB      PHE  10  -0.767   8.784  -0.647
   60    HD1  PHE  10           1HD      PHE  10  -3.449   9.090   1.878
   61    HD2  PHE  10           2HD      PHE  10   0.295  10.703   0.471
   62    HE1  PHE  10           1HE      PHE  10  -3.200  10.357   3.999
   63    HE2  PHE  10           2HE      PHE  10   0.543  11.968   2.594
   64    HZ   PHE  10           HZ       PHE  10  -1.192  11.786   4.365
   65    H    THR  11           H        THR  11  -1.206  10.170  -3.594
   66    HA   THR  11           HA       THR  11  -2.731   8.052  -5.057
   67    HB   THR  11           HB       THR  11  -1.949  10.786  -6.109
   68    HG1  THR  11           1HG      THR  11  -4.123  11.262  -5.895
   69   HG21  THR  11          3HG2      THR  11  -3.580  10.240  -7.902
   70   HG22  THR  11          1HG2      THR  11  -3.778   8.614  -7.216
   71   HG23  THR  11          2HG2      THR  11  -2.214   9.120  -7.897
   72    H    CYS  12           H        CYS  12  -1.655   6.734  -6.378
   73    HA   CYS  12           HA       CYS  12   1.249   6.665  -6.396
   74    HB2  CYS  12           1HB      CYS  12  -0.108   4.676  -6.206
   75    HB3  CYS  12           2HB      CYS  12  -0.898   5.014  -7.764
   76    H    GLU  13           H        GLU  13   2.640   7.278  -7.914
   77    HA   GLU  13           HA       GLU  13   1.691   8.918 -10.164
   78    HB2  GLU  13           1HB      GLU  13   3.962   9.617 -10.417
   79    HB3  GLU  13           2HB      GLU  13   3.507   9.708  -8.718
   80    HG2  GLU  13           1HG      GLU  13   4.702   7.545  -8.302
   81    HG3  GLU  13           2HG      GLU  13   5.182   7.504 -10.003
   82    H    TYR  14           H        TYR  14   2.379   5.623  -9.807
   83    HA   TYR  14           HA       TYR  14   3.366   5.297 -12.608
   84    HB2  TYR  14           1HB      TYR  14   3.279   3.388 -10.274
   85    HB3  TYR  14           2HB      TYR  14   3.917   3.008 -11.861
   86    HD1  TYR  14           2HD      TYR  14   5.981   4.177 -12.713
   87    HD2  TYR  14           1HD      TYR  14   4.616   4.541  -8.637
   88    HE1  TYR  14           2HE      TYR  14   8.262   4.900 -12.010
   89    HE2  TYR  14           1HE      TYR  14   6.903   5.246  -7.935
   90    HH   TYR  14           HH       TYR  14   9.054   5.685  -8.604
   91    H    CYS  15           H        CYS  15   0.609   4.381 -10.544
   92    HA   CYS  15           HA       CYS  15  -0.767   3.310 -12.957
   93    HB2  CYS  15           1HB      CYS  15  -1.636   1.441 -11.760
   94    HB3  CYS  15           2HB      CYS  15   0.126   1.430 -11.710
   95    H    ASN  16           H        ASN  16  -0.939   5.737 -10.825
   96    HA   ASN  16           HA       ASN  16  -2.476   7.172 -10.108
   97    HB2  ASN  16           1HB      ASN  16  -2.791   7.147 -12.629
   98    HB3  ASN  16           2HB      ASN  16  -4.244   6.188 -12.354
   99   HD21  ASN  16          1HD2      ASN  16  -5.537   7.880 -13.300
  100   HD22  ASN  16          2HD2      ASN  16  -5.825   9.375 -12.421
  101    H    LYS  17           H        LYS  17  -2.729   4.348  -8.984
  102    HA   LYS  17           HA       LYS  17  -5.448   4.177  -7.965
  103    HB2  LYS  17           1HB      LYS  17  -2.802   3.031  -7.009
  104    HB3  LYS  17           2HB      LYS  17  -4.336   2.750  -6.167
  105    HG2  LYS  17           1HG      LYS  17  -5.294   1.729  -8.207
  106    HG3  LYS  17           2HG      LYS  17  -3.758   2.003  -9.046
  107    HD2  LYS  17           1HD      LYS  17  -2.684   0.684  -7.063
  108    HD3  LYS  17           2HD      LYS  17  -4.323   0.162  -6.677
  109    HE2  LYS  17           1HE      LYS  17  -2.841  -0.248  -9.313
  110    HE3  LYS  17           2HE      LYS  17  -3.022  -1.459  -8.039
  111    HZ1  LYS  17           3HZ      LYS  17  -4.673  -1.787  -9.783
  112    HZ2  LYS  17           1HZ      LYS  17  -5.263  -0.278  -9.598
  113    HZ3  LYS  17           2HZ      LYS  17  -5.440  -1.379  -8.400
  114    H    VAL  18           H        VAL  18  -6.151   4.589  -5.908
  115    HA   VAL  18           HA       VAL  18  -4.877   6.929  -4.533
  116    HB   VAL  18           HB       VAL  18  -7.850   6.470  -4.954
  117   HG11  VAL  18          1HG1      VAL  18  -8.028   8.807  -4.066
  118   HG12  VAL  18          2HG1      VAL  18  -7.418   7.681  -2.856
  119   HG13  VAL  18          3HG1      VAL  18  -6.292   8.770  -3.701
  120   HG21  VAL  18          3HG2      VAL  18  -7.729   8.491  -6.386
  121   HG22  VAL  18          1HG2      VAL  18  -5.963   8.518  -6.203
  122   HG23  VAL  18          2HG2      VAL  18  -6.761   7.182  -7.064
  123    H    PHE  19           H        PHE  19  -4.745   6.936  -2.396
  124    HA   PHE  19           HA       PHE  19  -5.728   4.613  -0.806
  125    HB2  PHE  19           1HB      PHE  19  -2.948   5.849  -0.758
  126    HB3  PHE  19           2HB      PHE  19  -3.512   4.522   0.246
  127    HD1  PHE  19           1HD      PHE  19  -2.426   5.517  -3.139
  128    HD2  PHE  19           2HD      PHE  19  -3.817   2.249  -0.697
  129    HE1  PHE  19           1HE      PHE  19  -1.840   3.920  -4.943
  130    HE2  PHE  19           2HE      PHE  19  -3.234   0.651  -2.509
  131    HZ   PHE  19           HZ       PHE  19  -2.288   1.484  -4.656
  132    H    LYS  20           H        LYS  20  -6.160   4.976   1.337
  133    HA   LYS  20           HA       LYS  20  -6.969   7.678   2.073
  134    HB2  LYS  20           1HB      LYS  20  -8.248   5.550   2.437
  135    HB3  LYS  20           2HB      LYS  20  -7.099   5.121   3.709
  136    HG2  LYS  20           1HG      LYS  20  -7.722   7.135   4.984
  137    HG3  LYS  20           2HG      LYS  20  -8.782   7.680   3.675
  138    HD2  LYS  20           1HD      LYS  20  -9.136   5.104   5.261
  139    HD3  LYS  20           2HD      LYS  20  -9.949   6.636   5.620
  140    HE2  LYS  20           1HE      LYS  20 -11.003   6.607   3.365
  141    HE3  LYS  20           2HE      LYS  20 -10.233   5.053   3.027
  142    HZ1  LYS  20           3HZ      LYS  20 -12.189   5.537   5.211
  143    HZ2  LYS  20           1HZ      LYS  20 -11.473   4.101   4.898
  144    HZ3  LYS  20           2HZ      LYS  20 -12.505   4.752   3.817
  145    H    PHE  21           H        PHE  21  -4.124   5.815   2.727
  146    HA   PHE  21           HA       PHE  21  -3.207   7.800   4.755
  147    HB2  PHE  21           1HB      PHE  21  -2.900   4.791   4.999
  148    HB3  PHE  21           2HB      PHE  21  -2.339   6.004   6.137
  149    HD1  PHE  21           2HD      PHE  21  -4.149   7.545   7.242
  150    HD2  PHE  21           1HD      PHE  21  -5.038   3.805   5.288
  151    HE1  PHE  21           2HE      PHE  21  -6.307   7.416   8.466
  152    HE2  PHE  21           1HE      PHE  21  -7.189   3.673   6.522
  153    HZ   PHE  21           HZ       PHE  21  -7.829   5.480   8.108
  154    H    LYS  22           H        LYS  22  -0.991   8.092   4.954
  155    HA   LYS  22           HA       LYS  22   0.490   7.999   2.536
  156    HB2  LYS  22           1HB      LYS  22   0.697   9.623   4.497
  157    HB3  LYS  22           2HB      LYS  22   1.643   8.390   5.333
  158    HG2  LYS  22           1HG      LYS  22   3.302   8.412   3.476
  159    HG3  LYS  22           2HG      LYS  22   2.307   9.595   2.603
  160    HD2  LYS  22           1HD      LYS  22   2.590  11.195   4.510
  161    HD3  LYS  22           2HD      LYS  22   3.647  10.014   5.315
  162    HE2  LYS  22           1HE      LYS  22   5.169  10.066   3.333
  163    HE3  LYS  22           2HE      LYS  22   4.118  11.269   2.572
  164    HZ1  LYS  22           3HZ      LYS  22   5.995  12.321   3.701
  165    HZ2  LYS  22           1HZ      LYS  22   5.579  11.661   5.132
  166    HZ3  LYS  22           2HZ      LYS  22   4.608  12.772   4.431
  167    H    HIS  23           H        HIS  23   0.766   5.913   5.428
  168    HA   HIS  23           HA       HIS  23   3.004   4.400   4.516
  169    HB2  HIS  23           1HB      HIS  23   2.424   2.798   6.227
  170    HB3  HIS  23           2HB      HIS  23   2.289   4.436   6.848
  171    HD1  HIS  23           1HD      HIS  23   0.049   1.428   5.923
  172    HD2  HIS  23           2HD      HIS  23  -0.134   5.258   7.651
  173    HE1  HIS  23           1HE      HIS  23  -2.267   1.634   6.958
  174    H    SER  24           H        SER  24  -0.497   3.911   3.949
  175    HA   SER  24           HA       SER  24  -0.313   1.426   2.577
  176    HB2  SER  24           1HB      SER  24  -2.315   3.669   2.132
  177    HB3  SER  24           2HB      SER  24  -2.484   1.984   1.609
  178    HG   SER  24           HG       SER  24  -3.550   2.236   3.569
  179    H    LEU  25           H        LEU  25  -0.114   4.789   1.249
  180    HA   LEU  25           HA       LEU  25   0.415   3.887  -1.437
  181    HB2  LEU  25           1HB      LEU  25  -0.386   6.145  -1.038
  182    HB3  LEU  25           2HB      LEU  25   1.039   6.523  -0.062
  183    HG   LEU  25           HG       LEU  25   2.498   6.231  -2.055
  184   HD11  LEU  25          1HD1      LEU  25   1.532   6.086  -4.300
  185   HD12  LEU  25          2HD1      LEU  25  -0.101   5.928  -3.624
  186   HD13  LEU  25          3HD1      LEU  25   1.106   4.646  -3.384
  187   HD21  LEU  25          3HD2      LEU  25   1.591   8.460  -1.505
  188   HD22  LEU  25          1HD2      LEU  25   0.223   8.141  -2.603
  189   HD23  LEU  25          2HD2      LEU  25   1.871   8.236  -3.242
  190    H    GLN  26           H        GLN  26   2.656   4.839   1.243
  191    HA   GLN  26           HA       GLN  26   5.055   4.553  -0.231
  192    HB2  GLN  26           1HB      GLN  26   4.401   4.229   2.719
  193    HB3  GLN  26           2HB      GLN  26   6.040   4.045   2.124
  194    HG2  GLN  26           1HG      GLN  26   4.356   6.561   1.705
  195    HG3  GLN  26           2HG      GLN  26   5.512   6.336   3.016
  196   HE21  GLN  26          1HE2      GLN  26   7.862   5.972   2.370
  197   HE22  GLN  26          2HE2      GLN  26   8.392   6.720   0.872
  198    H    ALA  27           H        ALA  27   3.275   2.012   1.573
  199    HA   ALA  27           HA       ALA  27   5.166  -0.075   0.909
  200    HB1  ALA  27           1HB      ALA  27   2.252  -0.194   1.778
  201    HB2  ALA  27           2HB      ALA  27   3.413  -1.542   1.790
  202    HB3  ALA  27           3HB      ALA  27   3.671  -0.141   2.854
  203    H    HIS  28           H        HIS  28   2.204   1.158  -0.698
  204    HA   HIS  28           HA       HIS  28   2.026  -0.900  -2.696
  205    HB2  HIS  28           1HB      HIS  28   0.127   0.509  -2.285
  206    HB3  HIS  28           2HB      HIS  28   1.053   1.977  -2.587
  207    HD1  HIS  28           1HD      HIS  28  -0.314  -1.037  -4.571
  208    HD2  HIS  28           2HD      HIS  28   1.330   2.799  -5.071
  209    HE1  HIS  28           1HE      HIS  28  -0.464  -0.541  -7.050
  210    H    LEU  29           H        LEU  29   3.724   2.276  -2.715
  211    HA   LEU  29           HA       LEU  29   4.537   2.251  -5.405
  212    HB2  LEU  29           1HB      LEU  29   5.772   3.470  -2.914
  213    HB3  LEU  29           2HB      LEU  29   6.449   3.751  -4.514
  214    HG   LEU  29           HG       LEU  29   3.568   4.435  -3.802
  215   HD11  LEU  29          1HD1      LEU  29   5.133   5.762  -2.439
  216   HD12  LEU  29          2HD1      LEU  29   4.360   6.769  -3.672
  217   HD13  LEU  29          3HD1      LEU  29   6.034   6.221  -3.901
  218   HD21  LEU  29          3HD2      LEU  29   3.911   4.182  -6.217
  219   HD22  LEU  29          1HD2      LEU  29   5.326   5.259  -6.141
  220   HD23  LEU  29          2HD2      LEU  29   3.697   5.878  -5.801
  221    H    ARG  30           H        ARG  30   5.877   0.299  -2.827
  222    HA   ARG  30           HA       ARG  30   8.448  -0.224  -4.003
  223    HB2  ARG  30           1HB      ARG  30   6.852  -2.019  -2.139
  224    HB3  ARG  30           2HB      ARG  30   8.576  -2.113  -2.508
  225    HG2  ARG  30           1HG      ARG  30   8.560   0.445  -1.681
  226    HG3  ARG  30           2HG      ARG  30   7.080  -0.072  -0.866
  227    HD2  ARG  30           1HD      ARG  30   8.864  -0.324   0.689
  228    HD3  ARG  30           2HD      ARG  30   8.415  -1.963   0.174
  229    HE   ARG  30           HE       ARG  30  10.481  -1.004  -1.554
  230   HH11  ARG  30          2HH1      ARG  30  10.253  -1.948   1.821
  231   HH12  ARG  30          1HH1      ARG  30  11.947  -2.351   1.898
  232   HH21  ARG  30          2HH2      ARG  30  12.540  -1.506  -1.400
  233   HH22  ARG  30          1HH2      ARG  30  13.237  -2.107   0.091
  234    H    ILE  31           H        ILE  31   5.318  -1.482  -4.983
  235    HA   ILE  31           HA       ILE  31   6.395  -3.751  -6.437
  236    HB   ILE  31           HB       ILE  31   4.341  -4.013  -7.427
  237   HG12  ILE  31          1HG1      ILE  31   3.751  -1.111  -6.840
  238   HG13  ILE  31          2HG1      ILE  31   3.800  -1.952  -8.382
  239   HG21  ILE  31          1HG2      ILE  31   2.865  -4.226  -5.537
  240   HG22  ILE  31          2HG2      ILE  31   4.519  -4.476  -4.969
  241   HG23  ILE  31          3HG2      ILE  31   3.692  -2.932  -4.662
  242   HD11  ILE  31          3HD1      ILE  31   1.520  -1.556  -7.884
  243   HD12  ILE  31          1HD1      ILE  31   1.806  -3.288  -7.661
  244   HD13  ILE  31          2HD1      ILE  31   1.682  -2.228  -6.241
  245    H    HIS  32           H        HIS  32   6.207  -0.348  -7.088
  246    HA   HIS  32           HA       HIS  32   6.849  -0.654  -9.972
  247    HB2  HIS  32           1HB      HIS  32   6.287   1.862  -8.368
  248    HB3  HIS  32           2HB      HIS  32   6.379   1.709 -10.115
  249    HD1  HIS  32           1HD      HIS  32   4.284  -0.062 -11.116
  250    HD2  HIS  32           2HD      HIS  32   3.909   2.008  -7.488
  251    HE1  HIS  32           1HE      HIS  32   1.788   0.145 -10.694
  252    H    THR  33           H        THR  33   8.191   0.882  -7.005
  253    HA   THR  33           HA       THR  33  10.520   1.820  -8.509
  254    HB   THR  33           HB       THR  33   9.204   3.178  -6.847
  255    HG1  THR  33           1HG      THR  33  12.020   2.980  -6.642
  256   HG21  THR  33          3HG2      THR  33   9.206   1.607  -4.927
  257   HG22  THR  33          1HG2      THR  33   9.903   3.180  -4.528
  258   HG23  THR  33          2HG2      THR  33  10.967   1.782  -4.786
  259    H    ASN  34           H        ASN  34   9.983  -1.092  -6.870
  260    HA   ASN  34           HA       ASN  34  12.924  -1.587  -6.839
  261    HB2  ASN  34           1HB      ASN  34  10.930  -2.714  -4.830
  262    HB3  ASN  34           2HB      ASN  34  12.642  -3.112  -4.935
  263   HD21  ASN  34          1HD2      ASN  34  13.999  -0.766  -5.017
  264   HD22  ASN  34          2HD2      ASN  34  13.583   0.199  -3.616
  265    H    GLU  35           H        GLU  35  13.612  -3.482  -7.705
  266    HA   GLU  35           HA       GLU  35  11.864  -4.967  -9.450
  267    HB2  GLU  35           1HB      GLU  35  14.658  -5.768  -8.545
  268    HB3  GLU  35           2HB      GLU  35  13.778  -6.294  -9.973
  269    HG2  GLU  35           1HG      GLU  35  15.069  -4.761 -10.999
  270    HG3  GLU  35           2HG      GLU  35  13.797  -3.651 -10.518
  271    H    LYS  36           H        LYS  36  10.686  -6.764  -9.086
  272    HA   LYS  36           HA       LYS  36  11.180  -8.465  -6.688
  273    HB2  LYS  36           1HB      LYS  36   8.563  -7.107  -7.427
  274    HB3  LYS  36           2HB      LYS  36   8.682  -8.459  -6.294
  275    HG2  LYS  36           1HG      LYS  36  10.251  -7.122  -4.887
  276    HG3  LYS  36           2HG      LYS  36  10.030  -5.743  -5.982
  277    HD2  LYS  36           1HD      LYS  36   7.584  -5.780  -5.506
  278    HD3  LYS  36           2HD      LYS  36   7.846  -7.061  -4.318
  279    HE2  LYS  36           1HE      LYS  36   9.112  -4.285  -4.240
  280    HE3  LYS  36           2HE      LYS  36   7.662  -4.751  -3.348
  281    HZ1  LYS  36           3HZ      LYS  36   9.000  -6.402  -2.146
  282    HZ2  LYS  36           1HZ      LYS  36   9.625  -4.914  -1.940
  283    HZ3  LYS  36           2HZ      LYS  36  10.353  -5.959  -2.956
  284    HA   PRO  37           HA       PRO  37  10.682 -11.528  -9.838
  285    HB2  PRO  37           1HB      PRO  37  10.565 -13.836  -8.335
  286    HB3  PRO  37           2HB      PRO  37  12.044 -12.869  -8.598
  287    HG2  PRO  37           1HG      PRO  37  10.157 -12.763  -6.226
  288    HG3  PRO  37           2HG      PRO  37  11.945 -12.884  -6.213
  289    HD2  PRO  37           1HD      PRO  37  10.694 -10.497  -5.905
  290    HD3  PRO  37           2HD      PRO  37  12.183 -10.627  -6.881
  291    H    TYR  38           H        TYR  38   8.290 -11.896  -7.140
  292    HA   TYR  38           HA       TYR  38   6.586 -13.527  -8.895
  293    HB2  TYR  38           1HB      TYR  38   6.281 -12.824  -5.964
  294    HB3  TYR  38           2HB      TYR  38   5.322 -13.988  -6.859
  295    HD1  TYR  38           1HD      TYR  38   6.656 -15.880  -8.130
  296    HD2  TYR  38           2HD      TYR  38   8.197 -13.579  -4.837
  297    HE1  TYR  38           1HE      TYR  38   8.352 -17.655  -7.685
  298    HE2  TYR  38           2HE      TYR  38   9.922 -15.332  -4.405
  299    HH   TYR  38           HH       TYR  38  10.152 -18.298  -6.411
  300    H    LYS  39           H        LYS  39   5.934 -11.999 -10.406
  301    HA   LYS  39           HA       LYS  39   4.184  -9.738  -9.675
  302    HB2  LYS  39           1HB      LYS  39   5.075 -10.970 -12.294
  303    HB3  LYS  39           2HB      LYS  39   3.640  -9.965 -12.240
  304    HG2  LYS  39           1HG      LYS  39   5.363  -8.535 -12.889
  305    HG3  LYS  39           2HG      LYS  39   4.902  -8.099 -11.256
  306    HD2  LYS  39           1HD      LYS  39   7.292  -7.940 -11.504
  307    HD3  LYS  39           2HD      LYS  39   6.949  -9.270 -10.393
  308    HE2  LYS  39           1HE      LYS  39   7.414 -10.924 -12.074
  309    HE3  LYS  39           2HE      LYS  39   7.373  -9.727 -13.377
  310    HZ1  LYS  39           3HZ      LYS  39   9.657 -10.405 -12.649
  311    HZ2  LYS  39           1HZ      LYS  39   9.390  -9.650 -11.208
  312    HZ3  LYS  39           2HZ      LYS  39   9.407  -8.790 -12.594
  313    H    CYS  40           H        CYS  40   2.029  -9.577  -9.833
  314    HA   CYS  40           HA       CYS  40   0.344 -11.914  -9.633
  315    HB2  CYS  40           1HB      CYS  40  -0.068  -9.896  -8.404
  316    HB3  CYS  40           2HB      CYS  40  -0.175  -8.941  -9.898
  317    HA   PRO  41           HA       PRO  41  -0.452 -12.167 -14.100
  318    HB2  PRO  41           1HB      PRO  41  -2.391 -14.075 -14.124
  319    HB3  PRO  41           2HB      PRO  41  -0.687 -14.443 -13.725
  320    HG2  PRO  41           1HG      PRO  41  -2.982 -13.958 -11.802
  321    HG3  PRO  41           2HG      PRO  41  -1.782 -15.284 -11.781
  322    HD2  PRO  41           1HD      PRO  41  -1.534 -13.000 -10.264
  323    HD3  PRO  41           2HD      PRO  41  -0.117 -13.887 -10.901
  324    H    GLN  42           H        GLN  42  -2.582 -10.895 -11.702
  325    HA   GLN  42           HA       GLN  42  -4.640 -10.133 -13.740
  326    HB2  GLN  42           1HB      GLN  42  -4.854 -10.476 -10.739
  327    HB3  GLN  42           2HB      GLN  42  -6.153  -9.895 -11.768
  328    HG2  GLN  42           1HG      GLN  42  -4.844 -12.642 -11.983
  329    HG3  GLN  42           2HG      GLN  42  -6.344 -12.299 -11.150
  330   HE21  GLN  42          1HE2      GLN  42  -6.370 -14.233 -13.119
  331   HE22  GLN  42          2HE2      GLN  42  -7.242 -13.611 -14.512
  332    H    CYS  43           H        CYS  43  -2.398  -8.668 -11.332
  333    HA   CYS  43           HA       CYS  43  -3.172  -6.031 -12.434
  334    HB2  CYS  43           1HB      CYS  43  -3.547  -5.053 -10.279
  335    HB3  CYS  43           2HB      CYS  43  -4.622  -6.428 -10.479
  336    H    SER  44           H        SER  44  -1.712  -4.355 -10.936
  337    HA   SER  44           HA       SER  44   0.947  -4.736 -12.011
  338    HB2  SER  44           1HB      SER  44   1.348  -2.486 -11.009
  339    HB3  SER  44           2HB      SER  44  -0.064  -2.565 -12.078
  340    HG   SER  44           HG       SER  44  -0.584  -1.452 -10.178
  341    H    TYR  45           H        TYR  45  -0.380  -5.846  -9.117
  342    HA   TYR  45           HA       TYR  45   1.543  -5.429  -7.136
  343    HB2  TYR  45           1HB      TYR  45  -0.648  -6.373  -6.755
  344    HB3  TYR  45           2HB      TYR  45  -0.273  -7.778  -7.738
  345    HD1  TYR  45           1HD      TYR  45   1.337  -9.536  -6.837
  346    HD2  TYR  45           2HD      TYR  45   0.097  -6.150  -4.462
  347    HE1  TYR  45           1HE      TYR  45   2.081 -10.710  -4.785
  348    HE2  TYR  45           2HE      TYR  45   0.857  -7.333  -2.403
  349    HH   TYR  45           HH       TYR  45   2.242 -10.632  -2.501
  350    H    ALA  46           H        ALA  46   3.377  -6.350  -6.497
  351    HA   ALA  46           HA       ALA  46   4.292  -8.876  -7.603
  352    HB1  ALA  46           1HB      ALA  46   6.088  -6.423  -7.784
  353    HB2  ALA  46           2HB      ALA  46   6.522  -8.095  -8.222
  354    HB3  ALA  46           3HB      ALA  46   5.298  -7.226  -9.157
  355    H    SER  47           H        SER  47   5.724 -10.010  -6.254
  356    HA   SER  47           HA       SER  47   6.443  -8.775  -3.628
  357    HB2  SER  47           1HB      SER  47   4.351 -10.198  -3.488
  358    HB3  SER  47           2HB      SER  47   5.366 -11.594  -3.903
  359    HG   SER  47           HG       SER  47   5.451  -9.909  -1.622
  360    H    ALA  48           H        ALA  48   8.084  -9.860  -2.447
  361    HA   ALA  48           HA       ALA  48  10.175 -11.199  -4.067
  362    HB1  ALA  48           1HB      ALA  48  10.815  -9.298  -2.637
  363    HB2  ALA  48           2HB      ALA  48  10.196 -10.161  -1.206
  364    HB3  ALA  48           3HB      ALA  48  11.587 -10.803  -2.105
  365    H    ILE  49           H        ILE  49   7.473 -12.146  -2.267
  366    HA   ILE  49           HA       ILE  49   8.662 -14.813  -1.599
  367    HB   ILE  49           HB       ILE  49   6.656 -13.210   0.020
  368   HG12  ILE  49          1HG1      ILE  49   9.598 -13.832   0.512
  369   HG13  ILE  49          2HG1      ILE  49   8.875 -12.245   0.240
  370   HG21  ILE  49          1HG2      ILE  49   6.804 -15.026   1.669
  371   HG22  ILE  49          2HG2      ILE  49   6.257 -15.662   0.141
  372   HG23  ILE  49          3HG2      ILE  49   7.949 -15.907   0.632
  373   HD11  ILE  49          3HD1      ILE  49   8.538 -13.977   2.705
  374   HD12  ILE  49          1HD1      ILE  49   9.357 -12.417   2.561
  375   HD13  ILE  49          2HD1      ILE  49   7.593 -12.498   2.383
  376    H    LYS  50           H        LYS  50   7.701 -16.463  -2.561
  377    HA   LYS  50           HA       LYS  50   5.485 -16.148  -4.341
  378    HB2  LYS  50           1HB      LYS  50   7.447 -17.828  -4.385
  379    HB3  LYS  50           2HB      LYS  50   6.507 -18.801  -3.253
  380    HG2  LYS  50           1HG      LYS  50   4.649 -18.899  -4.919
  381    HG3  LYS  50           2HG      LYS  50   5.590 -17.882  -6.023
  382    HD2  LYS  50           1HD      LYS  50   7.368 -19.627  -6.095
  383    HD3  LYS  50           2HD      LYS  50   6.400 -20.647  -5.010
  384    HE2  LYS  50           1HE      LYS  50   4.560 -20.667  -6.686
  385    HE3  LYS  50           2HE      LYS  50   5.528 -19.653  -7.764
  386    HZ1  LYS  50           3HZ      LYS  50   6.277 -22.390  -6.871
  387    HZ2  LYS  50           1HZ      LYS  50   7.173 -21.453  -7.868
  388    HZ3  LYS  50           2HZ      LYS  50   5.716 -22.002  -8.353
  389    H    ALA  51           H        ALA  51   5.626 -17.396  -1.030
  390    HA   ALA  51           HA       ALA  51   2.931 -18.287  -0.807
  391    HB1  ALA  51           1HB      ALA  51   4.782 -17.159   1.339
  392    HB2  ALA  51           2HB      ALA  51   3.333 -18.145   1.606
  393    HB3  ALA  51           3HB      ALA  51   4.736 -18.850   0.782
  394    H    ASN  52           H        ASN  52   4.293 -14.982  -0.566
  395    HA   ASN  52           HA       ASN  52   1.856 -13.795   0.490
  396    HB2  ASN  52           1HB      ASN  52   4.318 -12.599  -0.851
  397    HB3  ASN  52           2HB      ASN  52   2.971 -11.648  -0.249
  398   HD21  ASN  52          1HD2      ASN  52   5.175 -10.868   0.826
  399   HD22  ASN  52          2HD2      ASN  52   5.361 -11.489   2.461
  400    H    LEU  53           H        LEU  53   3.179 -14.200  -2.850
  401    HA   LEU  53           HA       LEU  53   0.961 -12.962  -4.161
  402    HB2  LEU  53           1HB      LEU  53   3.058 -13.422  -5.305
  403    HB3  LEU  53           2HB      LEU  53   2.862 -15.158  -5.058
  404    HG   LEU  53           HG       LEU  53   0.890 -15.187  -6.535
  405   HD11  LEU  53          1HD1      LEU  53   0.289 -13.238  -7.891
  406   HD12  LEU  53          2HD1      LEU  53   1.466 -12.229  -7.013
  407   HD13  LEU  53          3HD1      LEU  53   0.031 -12.884  -6.188
  408   HD21  LEU  53          3HD2      LEU  53   3.229 -13.752  -7.834
  409   HD22  LEU  53          1HD2      LEU  53   2.036 -14.790  -8.636
  410   HD23  LEU  53          2HD2      LEU  53   3.171 -15.495  -7.469
  411    H    ASN  54           H        ASN  54   1.427 -16.307  -2.988
  412    HA   ASN  54           HA       ASN  54  -1.114 -17.293  -3.940
  413    HB2  ASN  54           1HB      ASN  54   0.944 -18.296  -1.966
  414    HB3  ASN  54           2HB      ASN  54  -0.624 -19.079  -2.096
  415   HD21  ASN  54          1HD2      ASN  54   2.287 -18.230  -4.021
  416   HD22  ASN  54          2HD2      ASN  54   1.974 -19.478  -5.227
  417    H    VAL  55           H        VAL  55  -0.502 -15.128  -1.348
  418    HA   VAL  55           HA       VAL  55  -3.233 -15.570  -0.219
  419    HB   VAL  55           HB       VAL  55  -0.961 -13.789   0.696
  420   HG11  VAL  55          1HG1      VAL  55  -2.388 -13.334   2.687
  421   HG12  VAL  55          2HG1      VAL  55  -3.063 -12.640   1.214
  422   HG13  VAL  55          3HG1      VAL  55  -3.750 -14.141   1.878
  423   HG21  VAL  55          3HG2      VAL  55  -0.958 -15.258   2.666
  424   HG22  VAL  55          1HG2      VAL  55  -2.300 -16.207   1.994
  425   HG23  VAL  55          2HG2      VAL  55  -0.711 -16.224   1.210
  426    H    HIS  56           H        HIS  56  -1.317 -13.151  -2.033
  427    HA   HIS  56           HA       HIS  56  -3.362 -11.179  -2.273
  428    HB2  HIS  56           1HB      HIS  56  -1.012 -10.725  -2.723
  429    HB3  HIS  56           2HB      HIS  56  -0.987 -11.915  -4.029
  430    HD1  HIS  56           1HD      HIS  56  -2.592  -8.479  -3.283
  431    HD2  HIS  56           2HD      HIS  56  -1.746 -11.157  -6.410
  432    HE1  HIS  56           1HE      HIS  56  -3.305  -7.299  -5.408
  433    H    LEU  57           H        LEU  57  -2.701 -13.986  -4.420
  434    HA   LEU  57           HA       LEU  57  -4.613 -13.405  -6.442
  435    HB2  LEU  57           1HB      LEU  57  -3.586 -15.969  -5.242
  436    HB3  LEU  57           2HB      LEU  57  -4.631 -15.973  -6.658
  437    HG   LEU  57           HG       LEU  57  -1.990 -14.448  -6.628
  438   HD11  LEU  57          1HD1      LEU  57  -2.560 -17.287  -7.555
  439   HD12  LEU  57          2HD1      LEU  57  -1.589 -16.818  -6.141
  440   HD13  LEU  57          3HD1      LEU  57  -1.029 -16.395  -7.772
  441   HD21  LEU  57          3HD2      LEU  57  -3.808 -15.458  -8.855
  442   HD22  LEU  57          1HD2      LEU  57  -2.194 -14.762  -9.082
  443   HD23  LEU  57          2HD2      LEU  57  -3.490 -13.758  -8.419
  444    H    ARG  58           H        ARG  58  -5.131 -14.722  -3.229
  445    HA   ARG  58           HA       ARG  58  -7.832 -15.647  -3.528
  446    HB2  ARG  58           1HB      ARG  58  -6.628 -14.434  -1.018
  447    HB3  ARG  58           2HB      ARG  58  -7.974 -15.562  -1.119
  448    HG2  ARG  58           1HG      ARG  58  -6.472 -17.345  -1.930
  449    HG3  ARG  58           2HG      ARG  58  -5.106 -16.218  -1.915
  450    HD2  ARG  58           1HD      ARG  58  -5.477 -15.876   0.552
  451    HD3  ARG  58           2HD      ARG  58  -6.674 -17.193   0.490
  452    HE   ARG  58           HE       ARG  58  -4.083 -17.881  -0.687
  453   HH11  ARG  58          2HH1      ARG  58  -5.659 -17.691   2.445
  454   HH12  ARG  58          1HH1      ARG  58  -4.544 -18.819   3.165
  455   HH21  ARG  58          2HH2      ARG  58  -2.750 -19.328   0.271
  456   HH22  ARG  58          1HH2      ARG  58  -2.928 -19.720   1.958
  457    H    LYS  59           H        LYS  59  -6.600 -12.377  -3.332
  458    HA   LYS  59           HA       LYS  59  -9.197 -11.130  -2.757
  459    HB2  LYS  59           1HB      LYS  59  -6.662  -9.853  -3.874
  460    HB3  LYS  59           2HB      LYS  59  -8.064  -9.029  -3.193
  461    HG2  LYS  59           1HG      LYS  59  -7.611 -10.197  -0.994
  462    HG3  LYS  59           2HG      LYS  59  -6.096 -10.811  -1.693
  463    HD2  LYS  59           1HD      LYS  59  -5.320  -8.494  -2.077
  464    HD3  LYS  59           2HD      LYS  59  -6.843  -7.870  -1.401
  465    HE2  LYS  59           1HE      LYS  59  -6.343  -9.059   0.745
  466    HE3  LYS  59           2HE      LYS  59  -4.796  -9.590   0.077
  467    HZ1  LYS  59           3HZ      LYS  59  -4.544  -7.583   1.425
  468    HZ2  LYS  59           1HZ      LYS  59  -5.597  -6.756   0.497
  469    HZ3  LYS  59           2HZ      LYS  59  -4.162  -7.234  -0.122
  470    H    HIS  60           H        HIS  60  -7.651 -12.347  -5.595
  471    HA   HIS  60           HA       HIS  60  -9.405 -10.860  -7.444
  472    HB2  HIS  60           1HB      HIS  60  -7.188 -12.874  -7.935
  473    HB3  HIS  60           2HB      HIS  60  -8.143 -12.117  -9.201
  474    HD1  HIS  60           1HD      HIS  60  -8.115  -9.228  -8.959
  475    HD2  HIS  60           2HD      HIS  60  -4.938 -11.596  -7.533
  476    HE1  HIS  60           1HE      HIS  60  -6.116  -7.677  -8.829
  477    H    THR  61           H        THR  61 -10.320 -13.169  -5.464
  478    HA   THR  61           HA       THR  61 -12.325 -14.148  -7.413
  479    HB   THR  61           HB       THR  61 -10.783 -16.019  -7.176
  480    HG1  THR  61           1HG      THR  61 -12.443 -17.470  -6.288
  481   HG21  THR  61          3HG2      THR  61  -9.908 -15.635  -4.892
  482   HG22  THR  61          1HG2      THR  61 -10.573 -17.261  -5.076
  483   HG23  THR  61          2HG2      THR  61 -11.503 -16.023  -4.208
  484    H    GLY  62           H        GLY  62 -14.351 -14.588  -6.587
  485    HA2  GLY  62           1HA      GLY  62 -15.041 -13.372  -3.944
  486    HA3  GLY  62           2HA      GLY  62 -16.147 -13.666  -5.284
  487    H    GLU  63           H        GLU  63 -14.396 -16.478  -5.218
  488    HA   GLU  63           HA       GLU  63 -15.934 -17.826  -3.087
  489    HB2  GLU  63           1HB      GLU  63 -17.147 -19.283  -4.560
  490    HB3  GLU  63           2HB      GLU  63 -17.524 -17.612  -4.970
  491    HG2  GLU  63           1HG      GLU  63 -15.771 -17.804  -6.837
  492    HG3  GLU  63           2HG      GLU  63 -15.718 -19.534  -6.497
  493    H    LYS  64           H        LYS  64 -15.505 -19.971  -2.742
  494    HA   LYS  64           HA       LYS  64 -13.166 -21.241  -4.005
  495    HB2  LYS  64           1HB      LYS  64 -13.391 -20.771  -0.993
  496    HB3  LYS  64           2HB      LYS  64 -12.258 -21.882  -1.762
  497    HG2  LYS  64           1HG      LYS  64 -11.248 -19.943  -3.007
  498    HG3  LYS  64           2HG      LYS  64 -12.322 -18.856  -2.116
  499    HD2  LYS  64           1HD      LYS  64 -10.167 -18.826  -1.051
  500    HD3  LYS  64           2HD      LYS  64 -11.312 -19.645   0.028
  501    HE2  LYS  64           1HE      LYS  64 -10.473 -21.844  -0.776
  502    HE3  LYS  64           2HE      LYS  64  -9.322 -21.030  -1.838
  503    HZ1  LYS  64           3HZ      LYS  64  -8.411 -21.792   0.330
  504    HZ2  LYS  64           1HZ      LYS  64  -9.350 -20.722   1.119
  505    HZ3  LYS  64           2HZ      LYS  64  -8.187 -20.178   0.097
  506    H    PHE  65           H        PHE  65 -12.990 -23.497  -3.507
  507    HA   PHE  65           HA       PHE  65 -15.490 -24.842  -2.561
  508    HB2  PHE  65           1HB      PHE  65 -13.453 -25.773  -4.620
  509    HB3  PHE  65           2HB      PHE  65 -14.823 -26.709  -4.040
  510    HD1  PHE  65           2HD      PHE  65 -17.147 -26.120  -4.654
  511    HD2  PHE  65           1HD      PHE  65 -13.791 -23.863  -6.138
  512    HE1  PHE  65           2HE      PHE  65 -18.615 -25.042  -6.345
  513    HE2  PHE  65           1HE      PHE  65 -15.253 -22.811  -7.856
  514    HZ   PHE  65           HZ       PHE  65 -17.668 -23.404  -7.958
  515    H    ALA  66           H        ALA  66 -15.238 -26.626  -1.151
  516    HA   ALA  66           HA       ALA  66 -12.574 -26.886   0.165
  517    HB1  ALA  66           1HB      ALA  66 -13.646 -26.523   2.332
  518    HB2  ALA  66           2HB      ALA  66 -13.913 -25.117   1.282
  519    HB3  ALA  66           3HB      ALA  66 -15.222 -26.289   1.544
  520    H    CYS  67           H        CYS  67 -12.103 -28.748   1.180
  521    HA   CYS  67           HA       CYS  67 -13.474 -31.161   0.406
  522    HB2  CYS  67           1HB      CYS  67 -11.040 -30.818   0.563
  523    HB3  CYS  67           2HB      CYS  67 -11.183 -30.662   2.318
  524    H    ASP  68           H        ASP  68 -14.419 -32.695   1.629
  525    HA   ASP  68           HA       ASP  68 -15.832 -31.813   4.104
  526    HB2  ASP  68           1HB      ASP  68 -17.119 -32.636   2.102
  527    HB3  ASP  68           2HB      ASP  68 -16.362 -34.213   2.319
  528    H    TYR  69           H        TYR  69 -13.119 -33.605   3.190
  529    HA   TYR  69           HA       TYR  69 -13.257 -35.469   5.534
  530    HB2  TYR  69           1HB      TYR  69 -11.776 -35.732   2.914
  531    HB3  TYR  69           2HB      TYR  69 -11.820 -36.930   4.198
  532    HD1  TYR  69           1HD      TYR  69 -13.962 -38.158   4.693
  533    HD2  TYR  69           2HD      TYR  69 -13.541 -35.520   1.303
  534    HE1  TYR  69           1HE      TYR  69 -15.958 -39.200   3.635
  535    HE2  TYR  69           2HE      TYR  69 -15.547 -36.563   0.248
  536    HH   TYR  69           HH       TYR  69 -17.358 -39.228   1.816
  537    H    CYS  70           H        CYS  70 -11.413 -32.852   4.164
  538    HA   CYS  70           HA       CYS  70  -9.660 -32.847   6.498
  539    HB2  CYS  70           1HB      CYS  70  -7.581 -32.722   5.341
  540    HB3  CYS  70           2HB      CYS  70  -8.395 -34.203   4.875
  541    H    SER  71           H        SER  71  -7.988 -30.777   5.840
  542    HA   SER  71           HA       SER  71  -9.796 -28.466   5.918
  543    HB2  SER  71           1HB      SER  71  -7.756 -27.246   6.609
  544    HB3  SER  71           2HB      SER  71  -8.106 -28.656   7.620
  545    HG   SER  71           HG       SER  71  -5.883 -28.538   7.022
  546    H    PHE  72           H        PHE  72  -8.474 -30.025   3.322
  547    HA   PHE  72           HA       PHE  72  -7.133 -28.023   1.853
  548    HB2  PHE  72           1HB      PHE  72  -7.029 -30.410   1.372
  549    HB3  PHE  72           2HB      PHE  72  -8.734 -30.427   0.941
  550    HD1  PHE  72           1HD      PHE  72  -5.374 -29.200  -0.105
  551    HD2  PHE  72           2HD      PHE  72  -9.488 -29.811  -1.255
  552    HE1  PHE  72           1HE      PHE  72  -4.782 -28.752  -2.478
  553    HE2  PHE  72           2HE      PHE  72  -8.890 -29.379  -3.621
  554    HZ   PHE  72           HZ       PHE  72  -6.535 -28.844  -4.234
  555    H    THR  73           H        THR  73  -7.666 -26.616   0.234
  556    HA   THR  73           HA       THR  73 -10.456 -26.309  -0.642
  557    HB   THR  73           HB       THR  73 -10.383 -23.859  -0.525
  558    HG1  THR  73           1HG      THR  73  -8.084 -24.282   1.081
  559   HG21  THR  73          3HG2      THR  73  -9.982 -25.048   2.247
  560   HG22  THR  73          1HG2      THR  73 -11.493 -25.088   1.317
  561   HG23  THR  73          2HG2      THR  73 -10.815 -23.533   1.827
  562    H    CYS  74           H        CYS  74 -10.736 -25.355  -2.658
  563    HA   CYS  74           HA       CYS  74  -8.390 -24.614  -4.289
  564    HB2  CYS  74           1HB      CYS  74  -8.988 -26.289  -6.053
  565    HB3  CYS  74           2HB      CYS  74  -8.421 -27.000  -4.544
  566    HG   CYS  74           HG       CYS  74 -11.504 -26.807  -5.792
  567    H    LEU  75           H        LEU  75  -9.152 -24.052  -6.603
  568    HA   LEU  75           HA       LEU  75 -11.427 -22.163  -6.303
  569    HB2  LEU  75           1HB      LEU  75  -9.166 -22.202  -8.327
  570    HB3  LEU  75           2HB      LEU  75 -10.378 -20.939  -8.139
  571    HG   LEU  75           HG       LEU  75  -8.210 -21.663  -6.125
  572   HD11  LEU  75          1HD1      LEU  75  -8.680 -19.161  -7.796
  573   HD12  LEU  75          2HD1      LEU  75  -7.450 -20.404  -8.111
  574   HD13  LEU  75          3HD1      LEU  75  -7.357 -19.425  -6.638
  575   HD21  LEU  75          3HD2      LEU  75 -10.175 -20.955  -4.868
  576   HD22  LEU  75          1HD2      LEU  75 -10.415 -19.565  -5.951
  577   HD23  LEU  75          2HD2      LEU  75  -8.995 -19.643  -4.880
  578    H    SER  76           H        SER  76 -11.387 -25.192  -7.357
  579    HA   SER  76           HA       SER  76 -13.618 -24.716  -9.247
  580    HB2  SER  76           1HB      SER  76 -11.809 -24.943 -10.787
  581    HB3  SER  76           2HB      SER  76 -11.127 -26.315  -9.901
  582    HG   SER  76           HG       SER  76 -12.423 -26.792 -11.855
  583    H    LYS  77           H        LYS  77 -15.217 -26.184  -9.124
  584    HA   LYS  77           HA       LYS  77 -15.303 -28.174  -7.021
  585    HB2  LYS  77           1HB      LYS  77 -17.238 -26.835  -8.018
  586    HB3  LYS  77           2HB      LYS  77 -17.170 -27.915  -9.413
  587    HG2  LYS  77           1HG      LYS  77 -17.654 -29.851  -7.950
  588    HG3  LYS  77           2HG      LYS  77 -17.532 -28.822  -6.517
  589    HD2  LYS  77           1HD      LYS  77 -19.859 -29.247  -7.001
  590    HD3  LYS  77           2HD      LYS  77 -19.509 -27.530  -7.255
  591    HE2  LYS  77           1HE      LYS  77 -19.369 -27.918  -9.707
  592    HE3  LYS  77           2HE      LYS  77 -19.665 -29.644  -9.457
  593    HZ1  LYS  77           3HZ      LYS  77 -21.577 -27.472  -8.771
  594    HZ2  LYS  77           1HZ      LYS  77 -21.851 -29.067  -8.542
  595    HZ3  LYS  77           2HZ      LYS  77 -21.706 -28.470 -10.054
  596    H    GLY  78           H        GLY  78 -14.419 -28.281 -10.428
  597    HA2  GLY  78           1HA      GLY  78 -14.384 -31.170 -10.753
  598    HA3  GLY  78           2HA      GLY  78 -13.517 -29.971 -11.729
  599    H    HIS  79           H        HIS  79 -11.925 -28.717  -9.796
  600    HA   HIS  79           HA       HIS  79  -9.803 -30.603  -9.345
  601    HB2  HIS  79           1HB      HIS  79  -9.624 -28.094  -9.662
  602    HB3  HIS  79           2HB      HIS  79 -10.168 -27.905  -7.994
  603    HD1  HIS  79           1HD      HIS  79  -7.079 -28.455 -10.002
  604    HD2  HIS  79           2HD      HIS  79  -8.440 -29.199  -6.090
  605    HE1  HIS  79           1HE      HIS  79  -4.999 -28.882  -8.591
  606    H    LEU  80           H        LEU  80 -12.383 -29.347  -7.200
  607    HA   LEU  80           HA       LEU  80 -11.524 -30.679  -4.832
  608    HB2  LEU  80           1HB      LEU  80 -13.218 -28.869  -4.848
  609    HB3  LEU  80           2HB      LEU  80 -14.334 -29.912  -5.722
  610    HG   LEU  80           HG       LEU  80 -14.419 -31.478  -3.810
  611   HD11  LEU  80          1HD1      LEU  80 -12.214 -31.131  -2.781
  612   HD12  LEU  80          2HD1      LEU  80 -13.488 -30.770  -1.630
  613   HD13  LEU  80          3HD1      LEU  80 -12.623 -29.437  -2.418
  614   HD21  LEU  80          3HD2      LEU  80 -16.013 -29.564  -4.000
  615   HD22  LEU  80          1HD2      LEU  80 -14.952 -28.632  -2.916
  616   HD23  LEU  80          2HD2      LEU  80 -15.732 -30.112  -2.339
  617    H    LYS  81           H        LYS  81 -13.737 -31.791  -7.449
  618    HA   LYS  81           HA       LYS  81 -14.295 -34.368  -6.362
  619    HB2  LYS  81           1HB      LYS  81 -15.480 -33.313  -8.277
  620    HB3  LYS  81           2HB      LYS  81 -14.064 -33.587  -9.302
  621    HG2  LYS  81           1HG      LYS  81 -14.261 -36.042  -8.907
  622    HG3  LYS  81           2HG      LYS  81 -15.686 -35.765  -7.898
  623    HD2  LYS  81           1HD      LYS  81 -15.442 -35.057 -10.859
  624    HD3  LYS  81           2HD      LYS  81 -16.211 -36.513 -10.213
  625    HE2  LYS  81           1HE      LYS  81 -17.839 -35.089  -8.964
  626    HE3  LYS  81           2HE      LYS  81 -17.111 -33.645  -9.681
  627    HZ1  LYS  81           3HZ      LYS  81 -17.740 -34.503 -11.878
  628    HZ2  LYS  81           1HZ      LYS  81 -19.063 -34.363 -10.933
  629    HZ3  LYS  81           2HZ      LYS  81 -18.416 -35.833 -11.213
  630    H    VAL  82           H        VAL  82 -11.618 -33.397  -8.575
  631    HA   VAL  82           HA       VAL  82 -10.338 -35.960  -8.590
  632    HB   VAL  82           HB       VAL  82  -9.139 -33.182  -8.951
  633   HG11  VAL  82          1HG1      VAL  82  -7.289 -34.356 -10.140
  634   HG12  VAL  82          2HG1      VAL  82  -7.316 -34.747  -8.422
  635   HG13  VAL  82          3HG1      VAL  82  -7.948 -35.918  -9.604
  636   HG21  VAL  82          3HG2      VAL  82  -9.968 -35.305 -10.986
  637   HG22  VAL  82          1HG2      VAL  82 -10.869 -33.819 -10.640
  638   HG23  VAL  82          2HG2      VAL  82  -9.258 -33.714 -11.347
  639    H    HIS  83           H        HIS  83  -9.852 -33.194  -6.297
  640    HA   HIS  83           HA       HIS  83  -7.850 -34.429  -4.717
  641    HB2  HIS  83           1HB      HIS  83  -8.389 -32.105  -4.414
  642    HB3  HIS  83           2HB      HIS  83 -10.055 -32.470  -3.987
  643    HD1  HIS  83           1HD      HIS  83  -6.533 -32.700  -2.463
  644    HD2  HIS  83           2HD      HIS  83 -10.590 -33.164  -1.484
  645    HE1  HIS  83           1HE      HIS  83  -6.604 -32.998   0.055
  646    H    ILE  84           H        ILE  84 -11.446 -34.673  -4.302
  647    HA   ILE  84           HA       ILE  84 -11.227 -36.468  -2.059
  648    HB   ILE  84           HB       ILE  84 -13.530 -35.872  -3.939
  649   HG12  ILE  84          1HG1      ILE  84 -12.969 -34.975  -1.064
  650   HG13  ILE  84          2HG1      ILE  84 -12.622 -33.994  -2.479
  651   HG21  ILE  84          1HG2      ILE  84 -13.544 -37.424  -1.302
  652   HG22  ILE  84          2HG2      ILE  84 -14.986 -36.941  -2.227
  653   HG23  ILE  84          3HG2      ILE  84 -13.867 -38.103  -2.916
  654   HD11  ILE  84          3HD1      ILE  84 -14.669 -33.220  -1.540
  655   HD12  ILE  84          1HD1      ILE  84 -15.041 -34.009  -3.086
  656   HD13  ILE  84          2HD1      ILE  84 -15.382 -34.838  -1.545
  657    H    GLU  85           H        GLU  85 -11.710 -37.136  -5.542
  658    HA   GLU  85           HA       GLU  85 -11.862 -39.991  -5.150
  659    HB2  GLU  85           1HB      GLU  85 -11.405 -38.296  -7.636
  660    HB3  GLU  85           2HB      GLU  85 -11.682 -40.026  -7.666
  661    HG2  GLU  85           1HG      GLU  85 -13.651 -37.901  -6.718
  662    HG3  GLU  85           2HG      GLU  85 -13.741 -38.848  -8.192
  663    H    ARG  86           H        ARG  86  -9.029 -37.929  -5.493
  664    HA   ARG  86           HA       ARG  86  -7.304 -40.359  -5.780
  665    HB2  ARG  86           1HB      ARG  86  -6.608 -37.420  -6.072
  666    HB3  ARG  86           2HB      ARG  86  -5.529 -38.769  -6.381
  667    HG2  ARG  86           1HG      ARG  86  -8.070 -38.203  -7.989
  668    HG3  ARG  86           2HG      ARG  86  -6.446 -37.700  -8.425
  669    HD2  ARG  86           1HD      ARG  86  -6.970 -39.628  -9.699
  670    HD3  ARG  86           2HD      ARG  86  -5.731 -40.071  -8.505
  671    HE   ARG  86           HE       ARG  86  -8.495 -40.588  -7.662
  672   HH11  ARG  86          2HH1      ARG  86  -5.806 -42.164  -9.291
  673   HH12  ARG  86          1HH1      ARG  86  -6.272 -43.722  -8.656
  674   HH21  ARG  86          2HH2      ARG  86  -8.940 -42.473  -6.873
  675   HH22  ARG  86          1HH2      ARG  86  -8.043 -43.917  -7.314
  676    H    VAL  87           H        VAL  87  -7.923 -37.817  -3.404
  677    HA   VAL  87           HA       VAL  87  -5.644 -38.824  -1.779
  678    HB   VAL  87           HB       VAL  87  -7.451 -36.447  -1.238
  679   HG11  VAL  87          1HG1      VAL  87  -6.380 -37.230   0.812
  680   HG12  VAL  87          2HG1      VAL  87  -4.801 -37.291  -0.005
  681   HG13  VAL  87          3HG1      VAL  87  -5.617 -35.737   0.271
  682   HG21  VAL  87          3HG2      VAL  87  -6.148 -36.078  -3.311
  683   HG22  VAL  87          1HG2      VAL  87  -5.482 -35.105  -1.999
  684   HG23  VAL  87          2HG2      VAL  87  -4.664 -36.603  -2.488
  685    H    HIS  88           H        HIS  88  -9.216 -38.635  -1.570
  686    HA   HIS  88           HA       HIS  88  -9.083 -40.030   1.060
  687    HB2  HIS  88           1HB      HIS  88 -11.333 -38.472  -0.233
  688    HB3  HIS  88           2HB      HIS  88 -11.389 -39.248   1.351
  689    HD1  HIS  88           1HD      HIS  88  -9.231 -38.322   3.062
  690    HD2  HIS  88           2HD      HIS  88 -10.554 -35.976  -0.160
  691    HE1  HIS  88           1HE      HIS  88  -8.413 -35.965   3.539
  692    H    LYS  89           H        LYS  89 -10.070 -40.675  -2.235
  693    HA   LYS  89           HA       LYS  89 -11.321 -43.249  -1.493
  694    HB2  LYS  89           1HB      LYS  89 -11.037 -41.670  -3.995
  695    HB3  LYS  89           2HB      LYS  89 -10.927 -43.408  -4.190
  696    HG2  LYS  89           1HG      LYS  89 -13.187 -42.864  -4.514
  697    HG3  LYS  89           2HG      LYS  89 -13.091 -43.675  -2.951
  698    HD2  LYS  89           1HD      LYS  89 -13.226 -41.448  -1.805
  699    HD3  LYS  89           2HD      LYS  89 -13.266 -40.663  -3.396
  700    HE2  LYS  89           1HE      LYS  89 -15.287 -42.326  -3.830
  701    HE3  LYS  89           2HE      LYS  89 -15.362 -42.410  -2.064
  702    HZ1  LYS  89           3HZ      LYS  89 -15.579 -39.941  -2.100
  703    HZ2  LYS  89           1HZ      LYS  89 -16.791 -40.653  -2.944
  704    HZ3  LYS  89           2HZ      LYS  89 -15.537 -39.979  -3.756
  705    H    LYS  90           H        LYS  90 -10.495 -45.213  -1.972
  706    HA   LYS  90           HA       LYS  90  -7.518 -45.460  -2.160
  707    HB2  LYS  90           1HB      LYS  90  -7.716 -47.507  -0.910
  708    HB3  LYS  90           2HB      LYS  90  -8.521 -46.191  -0.059
  709    HG2  LYS  90           1HG      LYS  90 -10.736 -47.032  -0.823
  710    HG3  LYS  90           2HG      LYS  90  -9.941 -48.301  -1.760
  711    HD2  LYS  90           1HD      LYS  90 -10.784 -49.257   0.275
  712    HD3  LYS  90           2HD      LYS  90  -9.016 -49.270   0.333
  713    HE2  LYS  90           1HE      LYS  90  -9.047 -47.247   1.776
  714    HE3  LYS  90           2HE      LYS  90 -10.811 -47.190   1.674
  715    HZ1  LYS  90           3HZ      LYS  90  -9.245 -49.409   2.885
  716    HZ2  LYS  90           1HZ      LYS  90 -10.876 -49.355   2.795
  717    HZ3  LYS  90           2HZ      LYS  90 -10.074 -48.277   3.717
  718    H    ILE  91           H        ILE  91  -9.984 -45.747  -4.272
  719    HA   ILE  91           HA       ILE  91  -9.227 -48.295  -5.505
  720    HB   ILE  91           HB       ILE  91 -11.126 -47.732  -7.088
  721   HG12  ILE  91          1HG1      ILE  91 -12.873 -46.232  -6.348
  722   HG13  ILE  91          2HG1      ILE  91 -11.919 -45.670  -4.984
  723   HG21  ILE  91          1HG2      ILE  91 -12.792 -48.477  -5.452
  724   HG22  ILE  91          2HG2      ILE  91 -11.260 -49.331  -5.226
  725   HG23  ILE  91          3HG2      ILE  91 -11.717 -48.022  -4.114
  726   HD11  ILE  91          3HD1      ILE  91 -10.389 -44.500  -6.462
  727   HD12  ILE  91          1HD1      ILE  91 -11.140 -45.241  -7.901
  728   HD13  ILE  91          2HD1      ILE  91 -12.042 -44.074  -6.912
  729    H    LYS  92           H        LYS  92  -9.015 -48.481  -7.806
  730    HA   LYS  92           HA       LYS  92  -7.567 -46.326  -9.235
  731    HB2  LYS  92           1HB      LYS  92  -5.856 -47.574  -7.910
  732    HB3  LYS  92           2HB      LYS  92  -6.354 -49.082  -8.705
  733    HG2  LYS  92           1HG      LYS  92  -5.647 -48.067 -10.891
  734    HG3  LYS  92           2HG      LYS  92  -5.152 -46.613  -9.992
  735    HD2  LYS  92           1HD      LYS  92  -3.717 -48.260  -8.538
  736    HD3  LYS  92           2HD      LYS  92  -3.999 -49.434  -9.850
  737    HE2  LYS  92           1HE      LYS  92  -3.156 -47.722 -11.467
  738    HE3  LYS  92           2HE      LYS  92  -2.874 -46.633 -10.095
  739    HZ1  LYS  92           3HZ      LYS  92  -1.251 -48.243  -9.235
  740    HZ2  LYS  92           1HZ      LYS  92  -0.823 -47.802 -10.746
  741    HZ3  LYS  92           2HZ      LYS  92  -1.517 -49.255 -10.492
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  -8.577  16.752 -21.610
    2    H2   GLY   1           2H       GLY   1  -9.982  15.948 -21.871
    3    H3   GLY   1           3H       GLY   1 -10.011  17.510 -21.380
    4    HA2  GLY   1           1HA      GLY   1  -8.999  16.538 -23.976
    5    HA3  GLY   1           2HA      GLY   1 -10.537  17.384 -23.720
    6    H    SER   2           H        SER   2 -10.020  19.104 -25.039
    7    HA   SER   2           HA       SER   2  -9.347  21.124 -25.678
    8    HB2  SER   2           1HB      SER   2  -8.474  21.528 -22.810
    9    HB3  SER   2           2HB      SER   2  -8.798  22.790 -24.009
   10    HG   SER   2           HG       SER   2 -10.610  22.403 -22.648
   11    H    SER   3           H        SER   3  -6.716  19.209 -24.450
   12    HA   SER   3           HA       SER   3  -4.947  20.458 -26.461
   13    HB2  SER   3           1HB      SER   3  -3.069  20.637 -24.904
   14    HB3  SER   3           2HB      SER   3  -4.411  21.676 -24.410
   15    HG   SER   3           HG       SER   3  -3.523  20.521 -22.639
   16    H    GLY   4           H        GLY   4  -3.032  19.164 -26.936
   17    HA2  GLY   4           1HA      GLY   4  -1.936  17.188 -27.429
   18    HA3  GLY   4           2HA      GLY   4  -2.737  16.430 -26.055
   19    H    SER   5           H        SER   5  -2.711  14.569 -27.539
   20    HA   SER   5           HA       SER   5  -5.308  14.243 -28.848
   21    HB2  SER   5           1HB      SER   5  -4.498  13.489 -30.975
   22    HB3  SER   5           2HB      SER   5  -3.831  15.098 -30.698
   23    HG   SER   5           HG       SER   5  -1.853  14.177 -30.189
   24    H    SER   6           H        SER   6  -5.545  11.901 -29.659
   25    HA   SER   6           HA       SER   6  -4.704   9.989 -27.639
   26    HB2  SER   6           1HB      SER   6  -5.915   8.376 -29.098
   27    HB3  SER   6           2HB      SER   6  -6.880   9.794 -28.649
   28    HG   SER   6           HG       SER   6  -7.048   9.293 -30.895
   29    H    GLY   7           H        GLY   7  -3.152  11.166 -30.463
   30    HA2  GLY   7           1HA      GLY   7  -1.723   8.772 -31.269
   31    HA3  GLY   7           2HA      GLY   7  -1.452  10.424 -31.826
   32    H    LYS   8           H        LYS   8  -1.280   9.220 -28.469
   33    HA   LYS   8           HA       LYS   8   1.206  10.610 -27.960
   34    HB2  LYS   8           1HB      LYS   8  -0.577  10.336 -26.275
   35    HB3  LYS   8           2HB      LYS   8  -0.343   8.582 -26.277
   36    HG2  LYS   8           1HG      LYS   8   1.894   8.821 -25.338
   37    HG3  LYS   8           2HG      LYS   8   1.819  10.590 -25.507
   38    HD2  LYS   8           1HD      LYS   8   0.027  10.699 -23.826
   39    HD3  LYS   8           2HD      LYS   8  -0.060   8.934 -23.768
   40    HE2  LYS   8           1HE      LYS   8   1.163   9.668 -21.839
   41    HE3  LYS   8           2HE      LYS   8   2.273   8.830 -22.925
   42    HZ1  LYS   8           3HZ      LYS   8   3.217  10.900 -22.038
   43    HZ2  LYS   8           1HZ      LYS   8   2.029  11.788 -22.713
   44    HZ3  LYS   8           2HZ      LYS   8   3.102  10.991 -23.659
   45    H    ILE   9           H        ILE   9   3.169   9.870 -27.377
   46    HA   ILE   9           HA       ILE   9   4.032   7.187 -28.373
   47    HB   ILE   9           HB       ILE   9   5.469   9.860 -28.636
   48   HG12  ILE   9          1HG1      ILE   9   4.180   8.096 -30.777
   49   HG13  ILE   9          2HG1      ILE   9   3.530   9.624 -30.193
   50   HG21  ILE   9          1HG2      ILE   9   6.280   7.075 -29.580
   51   HG22  ILE   9          2HG2      ILE   9   7.141   8.584 -29.955
   52   HG23  ILE   9          3HG2      ILE   9   7.067   8.033 -28.300
   53   HD11  ILE   9          3HD1      ILE   9   4.560  10.077 -32.265
   54   HD12  ILE   9          1HD1      ILE   9   5.561  10.811 -30.999
   55   HD13  ILE   9          2HD1      ILE   9   6.076   9.296 -31.792
   56    H    PHE  10           H        PHE  10   5.603   6.134 -27.162
   57    HA   PHE  10           HA       PHE  10   6.077   7.196 -24.400
   58    HB2  PHE  10           1HB      PHE  10   5.440   4.369 -25.325
   59    HB3  PHE  10           2HB      PHE  10   5.837   4.838 -23.682
   60    HD1  PHE  10           1HD      PHE  10   3.268   5.109 -26.358
   61    HD2  PHE  10           2HD      PHE  10   4.233   5.963 -22.241
   62    HE1  PHE  10           1HE      PHE  10   0.892   5.676 -25.919
   63    HE2  PHE  10           2HE      PHE  10   1.850   6.511 -21.801
   64    HZ   PHE  10           HZ       PHE  10   0.178   6.367 -23.634
   65    H    THR  11           H        THR  11   8.158   7.100 -23.616
   66    HA   THR  11           HA       THR  11  10.243   5.857 -25.361
   67    HB   THR  11           HB       THR  11  10.350   8.609 -24.090
   68    HG1  THR  11           1HG      THR  11  10.066   9.356 -26.177
   69   HG21  THR  11          3HG2      THR  11  12.151   7.234 -26.129
   70   HG22  THR  11          1HG2      THR  11  12.583   7.644 -24.453
   71   HG23  THR  11          2HG2      THR  11  12.277   8.933 -25.622
   72    H    CYS  12           H        CYS  12  11.871   4.834 -24.402
   73    HA   CYS  12           HA       CYS  12  11.872   4.310 -21.544
   74    HB2  CYS  12           1HB      CYS  12  12.369   2.602 -23.177
   75    HB3  CYS  12           2HB      CYS  12  13.728   3.554 -23.822
   76    H    GLU  13           H        GLU  13  13.011   5.275 -19.993
   77    HA   GLU  13           HA       GLU  13  14.730   7.583 -20.625
   78    HB2  GLU  13           1HB      GLU  13  14.654   8.094 -18.293
   79    HB3  GLU  13           2HB      GLU  13  13.026   7.748 -18.869
   80    HG2  GLU  13           1HG      GLU  13  13.184   5.451 -17.890
   81    HG3  GLU  13           2HG      GLU  13  14.800   5.835 -17.286
   82    H    TYR  14           H        TYR  14  15.319   4.285 -20.321
   83    HA   TYR  14           HA       TYR  14  18.021   4.627 -19.098
   84    HB2  TYR  14           1HB      TYR  14  16.366   2.153 -19.620
   85    HB3  TYR  14           2HB      TYR  14  17.934   2.185 -18.836
   86    HD1  TYR  14           2HD      TYR  14  18.194   3.308 -16.587
   87    HD2  TYR  14           1HD      TYR  14  14.343   2.627 -18.413
   88    HE1  TYR  14           2HE      TYR  14  17.093   3.592 -14.370
   89    HE2  TYR  14           1HE      TYR  14  13.245   2.914 -16.187
   90    HH   TYR  14           HH       TYR  14  15.115   3.605 -13.213
   91    H    CYS  15           H        CYS  15  16.484   3.558 -22.123
   92    HA   CYS  15           HA       CYS  15  19.171   3.519 -23.385
   93    HB2  CYS  15           1HB      CYS  15  18.742   1.522 -24.595
   94    HB3  CYS  15           2HB      CYS  15  18.611   1.221 -22.864
   95    H    ASN  16           H        ASN  16  16.461   5.195 -23.433
   96    HA   ASN  16           HA       ASN  16  15.441   6.604 -24.822
   97    HB2  ASN  16           1HB      ASN  16  18.040   7.073 -25.018
   98    HB3  ASN  16           2HB      ASN  16  17.770   6.651 -26.704
   99   HD21  ASN  16          1HD2      ASN  16  15.665   7.866 -27.614
  100   HD22  ASN  16          2HD2      ASN  16  15.642   9.590 -27.218
  101    H    LYS  17           H        LYS  17  15.178   3.639 -25.556
  102    HA   LYS  17           HA       LYS  17  14.380   3.604 -28.349
  103    HB2  LYS  17           1HB      LYS  17  13.773   1.833 -25.960
  104    HB3  LYS  17           2HB      LYS  17  13.076   1.536 -27.567
  105    HG2  LYS  17           1HG      LYS  17  15.308   1.289 -28.548
  106    HG3  LYS  17           2HG      LYS  17  16.046   1.696 -26.984
  107    HD2  LYS  17           1HD      LYS  17  14.774  -0.285 -25.990
  108    HD3  LYS  17           2HD      LYS  17  14.272  -0.713 -27.622
  109    HE2  LYS  17           1HE      LYS  17  16.143  -2.059 -26.836
  110    HE3  LYS  17           2HE      LYS  17  16.578  -1.135 -28.281
  111    HZ1  LYS  17           3HZ      LYS  17  18.270  -1.107 -26.405
  112    HZ2  LYS  17           1HZ      LYS  17  17.226  -0.159 -25.544
  113    HZ3  LYS  17           2HZ      LYS  17  17.836   0.371 -26.951
  114    H    VAL  18           H        VAL  18  12.347   3.545 -29.197
  115    HA   VAL  18           HA       VAL  18  10.250   5.103 -27.727
  116    HB   VAL  18           HB       VAL  18  10.920   5.234 -30.688
  117   HG11  VAL  18          1HG1      VAL  18   8.530   5.676 -30.278
  118   HG12  VAL  18          2HG1      VAL  18   8.957   6.805 -28.967
  119   HG13  VAL  18          3HG1      VAL  18   9.359   7.186 -30.656
  120   HG21  VAL  18          3HG2      VAL  18  12.657   6.376 -29.344
  121   HG22  VAL  18          1HG2      VAL  18  11.649   7.554 -30.186
  122   HG23  VAL  18          2HG2      VAL  18  11.397   7.259 -28.452
  123    H    PHE  19           H        PHE  19   8.224   4.419 -27.750
  124    HA   PHE  19           HA       PHE  19   7.473   1.915 -29.183
  125    HB2  PHE  19           1HB      PHE  19   7.015   2.589 -26.249
  126    HB3  PHE  19           2HB      PHE  19   6.459   1.147 -27.080
  127    HD1  PHE  19           2HD      PHE  19   8.097  -0.594 -27.857
  128    HD2  PHE  19           1HD      PHE  19   9.312   2.793 -25.486
  129    HE1  PHE  19           2HE      PHE  19  10.279  -1.693 -27.406
  130    HE2  PHE  19           1HE      PHE  19  11.492   1.691 -25.035
  131    HZ   PHE  19           HZ       PHE  19  12.002  -0.540 -26.028
  132    H    LYS  20           H        LYS  20   5.315   1.642 -29.663
  133    HA   LYS  20           HA       LYS  20   3.831   4.080 -30.173
  134    HB2  LYS  20           1HB      LYS  20   4.065   2.119 -31.715
  135    HB3  LYS  20           2HB      LYS  20   3.032   1.175 -30.638
  136    HG2  LYS  20           1HG      LYS  20   1.151   2.694 -31.046
  137    HG3  LYS  20           2HG      LYS  20   2.193   3.789 -31.977
  138    HD2  LYS  20           1HD      LYS  20   2.545   2.032 -33.675
  139    HD3  LYS  20           2HD      LYS  20   1.549   0.902 -32.734
  140    HE2  LYS  20           1HE      LYS  20  -0.393   2.431 -32.952
  141    HE3  LYS  20           2HE      LYS  20   0.597   3.571 -33.872
  142    HZ1  LYS  20           3HZ      LYS  20   0.868   1.857 -35.584
  143    HZ2  LYS  20           1HZ      LYS  20  -0.717   2.154 -35.344
  144    HZ3  LYS  20           2HZ      LYS  20  -0.044   0.797 -34.737
  145    H    PHE  21           H        PHE  21   3.602   1.664 -27.661
  146    HA   PHE  21           HA       PHE  21   1.143   2.970 -26.575
  147    HB2  PHE  21           1HB      PHE  21   1.661  -0.020 -26.669
  148    HB3  PHE  21           2HB      PHE  21   0.239   0.786 -26.035
  149    HD1  PHE  21           2HD      PHE  21  -1.201   2.193 -27.701
  150    HD2  PHE  21           1HD      PHE  21   1.712  -0.742 -28.923
  151    HE1  PHE  21           2HE      PHE  21  -2.331   1.986 -29.905
  152    HE2  PHE  21           1HE      PHE  21   0.571  -0.960 -31.118
  153    HZ   PHE  21           HZ       PHE  21  -1.453   0.402 -31.612
  154    H    LYS  22           H        LYS  22   0.784   2.767 -24.347
  155    HA   LYS  22           HA       LYS  22   3.041   2.975 -22.637
  156    HB2  LYS  22           1HB      LYS  22   0.662   3.874 -22.315
  157    HB3  LYS  22           2HB      LYS  22   0.202   2.258 -21.778
  158    HG2  LYS  22           1HG      LYS  22   1.880   2.394 -19.944
  159    HG3  LYS  22           2HG      LYS  22   2.397   3.986 -20.536
  160    HD2  LYS  22           1HD      LYS  22   0.082   4.856 -20.140
  161    HD3  LYS  22           2HD      LYS  22  -0.377   3.270 -19.480
  162    HE2  LYS  22           1HE      LYS  22   1.406   3.501 -17.746
  163    HE3  LYS  22           2HE      LYS  22   1.827   5.089 -18.404
  164    HZ1  LYS  22           3HZ      LYS  22  -0.811   4.379 -17.227
  165    HZ2  LYS  22           1HZ      LYS  22  -0.422   5.846 -17.834
  166    HZ3  LYS  22           2HZ      LYS  22   0.330   5.289 -16.499
  167    H    HIS  23           H        HIS  23   0.895   0.177 -23.244
  168    HA   HIS  23           HA       HIS  23   2.100  -1.535 -21.302
  169    HB2  HIS  23           1HB      HIS  23   0.933  -3.346 -22.429
  170    HB3  HIS  23           2HB      HIS  23  -0.108  -1.962 -22.146
  171    HD1  HIS  23           1HD      HIS  23  -1.408  -1.083 -24.255
  172    HD2  HIS  23           2HD      HIS  23   1.764  -3.723 -25.087
  173    HE1  HIS  23           1HE      HIS  23  -1.559  -1.623 -26.741
  174    H    SER  24           H        SER  24   3.029  -0.865 -24.681
  175    HA   SER  24           HA       SER  24   4.996  -2.939 -24.928
  176    HB2  SER  24           1HB      SER  24   4.945  -0.196 -26.232
  177    HB3  SER  24           2HB      SER  24   5.877  -1.599 -26.776
  178    HG   SER  24           HG       SER  24   3.921  -2.662 -27.225
  179    H    LEU  25           H        LEU  25   5.287   0.503 -23.853
  180    HA   LEU  25           HA       LEU  25   8.072   0.283 -23.186
  181    HB2  LEU  25           1HB      LEU  25   7.037   2.438 -23.588
  182    HB3  LEU  25           2HB      LEU  25   5.919   2.206 -22.241
  183    HG   LEU  25           HG       LEU  25   7.796   2.263 -20.634
  184   HD11  LEU  25          1HD1      LEU  25   9.643   1.404 -22.050
  185   HD12  LEU  25          2HD1      LEU  25  10.046   2.962 -21.339
  186   HD13  LEU  25          3HD1      LEU  25   9.562   2.873 -23.047
  187   HD21  LEU  25          3HD2      LEU  25   8.353   4.620 -20.833
  188   HD22  LEU  25          1HD2      LEU  25   6.654   4.361 -21.267
  189   HD23  LEU  25          2HD2      LEU  25   7.874   4.620 -22.540
  190    H    GLN  26           H        GLN  26   5.116  -0.154 -21.143
  191    HA   GLN  26           HA       GLN  26   6.473  -0.663 -18.694
  192    HB2  GLN  26           1HB      GLN  26   3.807  -1.600 -19.810
  193    HB3  GLN  26           2HB      GLN  26   4.341  -2.051 -18.200
  194    HG2  GLN  26           1HG      GLN  26   4.065   0.844 -19.136
  195    HG3  GLN  26           2HG      GLN  26   2.815  -0.048 -18.274
  196   HE21  GLN  26          1HE2      GLN  26   3.393  -0.864 -16.021
  197   HE22  GLN  26          2HE2      GLN  26   4.551   0.095 -15.111
  198    H    ALA  27           H        ALA  27   5.616  -2.992 -21.303
  199    HA   ALA  27           HA       ALA  27   6.756  -5.256 -19.922
  200    HB1  ALA  27           1HB      ALA  27   6.122  -4.808 -22.862
  201    HB2  ALA  27           2HB      ALA  27   6.438  -6.375 -22.079
  202    HB3  ALA  27           3HB      ALA  27   5.002  -5.430 -21.625
  203    H    HIS  28           H        HIS  28   8.135  -2.853 -22.185
  204    HA   HIS  28           HA       HIS  28  10.681  -4.167 -22.523
  205    HB2  HIS  28           1HB      HIS  28   9.985  -2.474 -24.081
  206    HB3  HIS  28           2HB      HIS  28   9.751  -1.286 -22.802
  207    HD1  HIS  28           1HD      HIS  28  12.724  -3.263 -24.322
  208    HD2  HIS  28           2HD      HIS  28  11.763   0.243 -22.208
  209    HE1  HIS  28           1HE      HIS  28  14.896  -1.982 -24.090
  210    H    LEU  29           H        LEU  29   9.527  -1.732 -20.144
  211    HA   LEU  29           HA       LEU  29  11.984  -1.218 -18.881
  212    HB2  LEU  29           1HB      LEU  29   9.097  -1.085 -17.970
  213    HB3  LEU  29           2HB      LEU  29  10.398  -0.636 -16.877
  214    HG   LEU  29           HG       LEU  29  10.094   0.660 -19.617
  215   HD11  LEU  29          1HD1      LEU  29   9.039   1.608 -16.916
  216   HD12  LEU  29          2HD1      LEU  29   8.056   1.082 -18.299
  217   HD13  LEU  29          3HD1      LEU  29   9.037   2.549 -18.425
  218   HD21  LEU  29          3HD2      LEU  29  12.318   0.930 -18.574
  219   HD22  LEU  29          1HD2      LEU  29  11.551   1.510 -17.081
  220   HD23  LEU  29          2HD2      LEU  29  11.436   2.456 -18.583
  221    H    ARG  30           H        ARG  30  10.182  -4.158 -18.627
  222    HA   ARG  30           HA       ARG  30  11.082  -5.162 -16.109
  223    HB2  ARG  30           1HB      ARG  30  10.595  -6.633 -18.731
  224    HB3  ARG  30           2HB      ARG  30  10.751  -7.400 -17.148
  225    HG2  ARG  30           1HG      ARG  30   8.760  -6.172 -16.325
  226    HG3  ARG  30           2HG      ARG  30   8.543  -5.434 -17.918
  227    HD2  ARG  30           1HD      ARG  30   8.468  -8.419 -17.315
  228    HD3  ARG  30           2HD      ARG  30   7.056  -7.378 -17.580
  229    HE   ARG  30           HE       ARG  30   8.709  -7.043 -19.832
  230   HH11  ARG  30          2HH1      ARG  30   6.855  -9.694 -18.476
  231   HH12  ARG  30          1HH1      ARG  30   6.693 -10.482 -20.022
  232   HH21  ARG  30          2HH2      ARG  30   8.513  -8.106 -21.732
  233   HH22  ARG  30          1HH2      ARG  30   7.604  -9.589 -21.830
  234    H    ILE  31           H        ILE  31  12.987  -4.694 -19.060
  235    HA   ILE  31           HA       ILE  31  15.157  -6.404 -18.102
  236    HB   ILE  31           HB       ILE  31  16.350  -5.849 -19.955
  237   HG12  ILE  31          1HG1      ILE  31  14.567  -3.467 -20.531
  238   HG13  ILE  31          2HG1      ILE  31  16.248  -3.444 -20.011
  239   HG21  ILE  31          1HG2      ILE  31  14.312  -7.292 -20.259
  240   HG22  ILE  31          2HG2      ILE  31  13.487  -5.885 -20.970
  241   HG23  ILE  31          3HG2      ILE  31  14.929  -6.571 -21.746
  242   HD11  ILE  31          3HD1      ILE  31  16.885  -4.663 -22.102
  243   HD12  ILE  31          1HD1      ILE  31  15.216  -4.429 -22.680
  244   HD13  ILE  31          2HD1      ILE  31  16.249  -3.026 -22.346
  245    H    HIS  32           H        HIS  32  14.271  -3.082 -17.693
  246    HA   HIS  32           HA       HIS  32  16.952  -2.265 -16.723
  247    HB2  HIS  32           1HB      HIS  32  14.407  -0.668 -17.165
  248    HB3  HIS  32           2HB      HIS  32  15.973  -0.010 -16.704
  249    HD1  HIS  32           1HD      HIS  32  18.006  -0.858 -18.703
  250    HD2  HIS  32           2HD      HIS  32  13.958  -0.314 -19.675
  251    HE1  HIS  32           1HE      HIS  32  17.950  -0.403 -21.204
  252    H    THR  33           H        THR  33  13.725  -2.971 -15.416
  253    HA   THR  33           HA       THR  33  14.952  -2.968 -12.720
  254    HB   THR  33           HB       THR  33  13.863  -0.833 -12.793
  255    HG1  THR  33           1HG      THR  33  12.633  -1.155 -10.956
  256   HG21  THR  33          3HG2      THR  33  12.065  -1.252 -14.454
  257   HG22  THR  33          1HG2      THR  33  11.448  -0.560 -12.947
  258   HG23  THR  33          2HG2      THR  33  11.230  -2.291 -13.276
  259    H    ASN  34           H        ASN  34  14.428  -4.585 -11.466
  260    HA   ASN  34           HA       ASN  34  12.143  -6.368 -11.968
  261    HB2  ASN  34           1HB      ASN  34  14.011  -7.077 -13.539
  262    HB3  ASN  34           2HB      ASN  34  15.023  -7.378 -12.126
  263   HD21  ASN  34          1HD2      ASN  34  15.160  -9.597 -12.983
  264   HD22  ASN  34          2HD2      ASN  34  13.830 -10.702 -12.682
  265    H    GLU  35           H        GLU  35  12.567  -4.636  -9.851
  266    HA   GLU  35           HA       GLU  35  14.178  -5.590  -7.741
  267    HB2  GLU  35           1HB      GLU  35  12.967  -3.969  -6.333
  268    HB3  GLU  35           2HB      GLU  35  13.557  -3.293  -7.847
  269    HG2  GLU  35           1HG      GLU  35  11.357  -3.224  -8.806
  270    HG3  GLU  35           2HG      GLU  35  10.685  -4.239  -7.538
  271    H    LYS  36           H        LYS  36  10.918  -6.613  -8.496
  272    HA   LYS  36           HA       LYS  36  10.924  -8.380  -6.079
  273    HB2  LYS  36           1HB      LYS  36   8.645  -6.993  -7.479
  274    HB3  LYS  36           2HB      LYS  36   8.380  -8.569  -6.754
  275    HG2  LYS  36           1HG      LYS  36   7.693  -6.890  -5.207
  276    HG3  LYS  36           2HG      LYS  36   9.083  -7.757  -4.550
  277    HD2  LYS  36           1HD      LYS  36  10.555  -5.889  -5.040
  278    HD3  LYS  36           2HD      LYS  36   9.269  -5.055  -5.946
  279    HE2  LYS  36           1HE      LYS  36   7.959  -4.763  -3.929
  280    HE3  LYS  36           2HE      LYS  36   9.093  -5.739  -2.982
  281    HZ1  LYS  36           3HZ      LYS  36  10.764  -4.060  -3.265
  282    HZ2  LYS  36           1HZ      LYS  36   9.418  -3.272  -2.780
  283    HZ3  LYS  36           2HZ      LYS  36   9.892  -3.220  -4.356
  284    HA   PRO  37           HA       PRO  37  11.503 -11.515  -9.229
  285    HB2  PRO  37           1HB      PRO  37  11.032 -13.789  -7.694
  286    HB3  PRO  37           2HB      PRO  37  12.552 -12.865  -7.750
  287    HG2  PRO  37           1HG      PRO  37  10.322 -12.674  -5.718
  288    HG3  PRO  37           2HG      PRO  37  12.086 -12.718  -5.422
  289    HD2  PRO  37           1HD      PRO  37  10.674 -10.394  -5.425
  290    HD3  PRO  37           2HD      PRO  37  12.333 -10.463  -6.087
  291    H    TYR  38           H        TYR  38   8.591 -11.856  -7.099
  292    HA   TYR  38           HA       TYR  38   7.230 -13.368  -9.237
  293    HB2  TYR  38           1HB      TYR  38   6.327 -12.849  -6.387
  294    HB3  TYR  38           2HB      TYR  38   5.639 -13.986  -7.534
  295    HD1  TYR  38           1HD      TYR  38   6.874 -16.074  -8.171
  296    HD2  TYR  38           2HD      TYR  38   8.198 -13.440  -5.030
  297    HE1  TYR  38           1HE      TYR  38   8.306 -17.890  -7.251
  298    HE2  TYR  38           2HE      TYR  38   9.682 -15.236  -4.141
  299    HH   TYR  38           HH       TYR  38   9.860 -18.478  -5.662
  300    H    LYS  39           H        LYS  39   5.458 -12.535 -10.337
  301    HA   LYS  39           HA       LYS  39   4.308  -9.899  -9.537
  302    HB2  LYS  39           1HB      LYS  39   4.809 -10.968 -12.342
  303    HB3  LYS  39           2HB      LYS  39   3.963  -9.502 -11.916
  304    HG2  LYS  39           1HG      LYS  39   5.990  -8.577 -12.380
  305    HG3  LYS  39           2HG      LYS  39   6.235  -8.894 -10.659
  306    HD2  LYS  39           1HD      LYS  39   7.339 -11.081 -11.305
  307    HD3  LYS  39           2HD      LYS  39   7.153 -10.627 -13.003
  308    HE2  LYS  39           1HE      LYS  39   8.569  -8.648 -12.661
  309    HE3  LYS  39           2HE      LYS  39   8.635  -8.966 -10.921
  310    HZ1  LYS  39           3HZ      LYS  39   9.753 -11.077 -11.421
  311    HZ2  LYS  39           1HZ      LYS  39  10.623  -9.795 -11.971
  312    HZ3  LYS  39           2HZ      LYS  39   9.774 -10.724 -13.023
  313    H    CYS  40           H        CYS  40   2.159  -9.551  -9.842
  314    HA   CYS  40           HA       CYS  40   0.376 -11.825  -9.724
  315    HB2  CYS  40           1HB      CYS  40   0.037  -9.827  -8.416
  316    HB3  CYS  40           2HB      CYS  40  -0.094  -8.839  -9.889
  317    HA   PRO  41           HA       PRO  41  -0.364 -11.867 -14.210
  318    HB2  PRO  41           1HB      PRO  41  -2.158 -13.901 -14.350
  319    HB3  PRO  41           2HB      PRO  41  -0.436 -14.177 -13.948
  320    HG2  PRO  41           1HG      PRO  41  -2.781 -13.953 -12.039
  321    HG3  PRO  41           2HG      PRO  41  -1.488 -15.190 -12.065
  322    HD2  PRO  41           1HD      PRO  41  -1.429 -12.947 -10.442
  323    HD3  PRO  41           2HD      PRO  41   0.051 -13.739 -11.063
  324    H    GLN  42           H        GLN  42  -2.520 -10.866 -11.721
  325    HA   GLN  42           HA       GLN  42  -4.694 -10.180 -13.662
  326    HB2  GLN  42           1HB      GLN  42  -4.786 -10.433 -10.646
  327    HB3  GLN  42           2HB      GLN  42  -6.147 -10.021 -11.677
  328    HG2  GLN  42           1HG      GLN  42  -4.629 -12.665 -11.682
  329    HG3  GLN  42           2HG      GLN  42  -6.188 -12.373 -10.940
  330   HE21  GLN  42          1HE2      GLN  42  -5.859 -14.440 -12.821
  331   HE22  GLN  42          2HE2      GLN  42  -6.770 -14.000 -14.259
  332    H    CYS  43           H        CYS  43  -2.414  -8.617 -11.335
  333    HA   CYS  43           HA       CYS  43  -3.259  -6.029 -12.491
  334    HB2  CYS  43           1HB      CYS  43  -3.585  -4.999 -10.347
  335    HB3  CYS  43           2HB      CYS  43  -4.657  -6.383 -10.490
  336    H    SER  44           H        SER  44  -1.783  -4.260 -11.274
  337    HA   SER  44           HA       SER  44   0.878  -4.721 -12.249
  338    HB2  SER  44           1HB      SER  44  -0.157  -2.441 -10.526
  339    HB3  SER  44           2HB      SER  44   1.318  -2.439 -11.512
  340    HG   SER  44           HG       SER  44  -0.447  -1.421 -12.579
  341    H    TYR  45           H        TYR  45  -0.339  -5.889  -9.407
  342    HA   TYR  45           HA       TYR  45   1.565  -5.209  -7.427
  343    HB2  TYR  45           1HB      TYR  45  -0.703  -6.091  -7.073
  344    HB3  TYR  45           2HB      TYR  45  -0.237  -7.637  -7.765
  345    HD1  TYR  45           2HD      TYR  45   0.009  -5.313  -4.912
  346    HD2  TYR  45           1HD      TYR  45   1.209  -9.197  -6.370
  347    HE1  TYR  45           2HE      TYR  45   0.666  -5.971  -2.609
  348    HE2  TYR  45           1HE      TYR  45   1.858  -9.858  -4.049
  349    HH   TYR  45           HH       TYR  45   1.476  -7.594  -1.277
  350    H    ALA  46           H        ALA  46   3.298  -6.256  -6.594
  351    HA   ALA  46           HA       ALA  46   4.220  -8.810  -7.666
  352    HB1  ALA  46           1HB      ALA  46   5.306  -7.182  -9.167
  353    HB2  ALA  46           2HB      ALA  46   6.048  -6.374  -7.764
  354    HB3  ALA  46           3HB      ALA  46   6.485  -8.047  -8.189
  355    H    SER  47           H        SER  47   5.910  -9.796  -6.415
  356    HA   SER  47           HA       SER  47   5.940  -9.065  -3.516
  357    HB2  SER  47           1HB      SER  47   4.041 -10.604  -4.014
  358    HB3  SER  47           2HB      SER  47   5.196 -11.762  -4.703
  359    HG   SER  47           HG       SER  47   5.056 -12.445  -2.705
  360    H    ALA  48           H        ALA  48   7.551 -10.010  -2.287
  361    HA   ALA  48           HA       ALA  48   9.950 -11.075  -3.656
  362    HB1  ALA  48           1HB      ALA  48  11.017 -10.753  -1.478
  363    HB2  ALA  48           2HB      ALA  48  10.200  -9.267  -2.001
  364    HB3  ALA  48           3HB      ALA  48   9.456 -10.303  -0.757
  365    H    ILE  49           H        ILE  49   7.121 -12.360  -2.351
  366    HA   ILE  49           HA       ILE  49   8.374 -15.008  -1.769
  367    HB   ILE  49           HB       ILE  49   6.147 -13.880  -0.061
  368   HG12  ILE  49          1HG1      ILE  49   9.108 -13.530   0.472
  369   HG13  ILE  49          2HG1      ILE  49   7.887 -12.265   0.229
  370   HG21  ILE  49          1HG2      ILE  49   8.201 -16.059   0.468
  371   HG22  ILE  49          2HG2      ILE  49   6.800 -15.642   1.482
  372   HG23  ILE  49          3HG2      ILE  49   6.541 -16.340  -0.102
  373   HD11  ILE  49          3HD1      ILE  49   8.355 -12.381   2.568
  374   HD12  ILE  49          1HD1      ILE  49   6.723 -13.031   2.309
  375   HD13  ILE  49          2HD1      ILE  49   8.094 -14.130   2.615
  376    H    LYS  50           H        LYS  50   7.343 -16.677  -2.688
  377    HA   LYS  50           HA       LYS  50   5.110 -16.312  -4.440
  378    HB2  LYS  50           1HB      LYS  50   7.033 -18.076  -4.453
  379    HB3  LYS  50           2HB      LYS  50   6.004 -19.009  -3.367
  380    HG2  LYS  50           1HG      LYS  50   4.188 -18.928  -5.100
  381    HG3  LYS  50           2HG      LYS  50   5.258 -17.991  -6.155
  382    HD2  LYS  50           1HD      LYS  50   6.874 -19.883  -6.184
  383    HD3  LYS  50           2HD      LYS  50   5.787 -20.821  -5.135
  384    HE2  LYS  50           1HE      LYS  50   4.002 -20.671  -6.863
  385    HE3  LYS  50           2HE      LYS  50   5.088 -19.744  -7.907
  386    HZ1  LYS  50           3HZ      LYS  50   5.083 -22.099  -8.501
  387    HZ2  LYS  50           1HZ      LYS  50   5.564 -22.539  -7.007
  388    HZ3  LYS  50           2HZ      LYS  50   6.568 -21.684  -7.973
  389    H    ALA  51           H        ALA  51   5.254 -17.540  -1.110
  390    HA   ALA  51           HA       ALA  51   2.464 -18.242  -0.916
  391    HB1  ALA  51           1HB      ALA  51   4.224 -19.167   0.547
  392    HB2  ALA  51           2HB      ALA  51   4.508 -17.555   1.247
  393    HB3  ALA  51           3HB      ALA  51   2.952 -18.376   1.494
  394    H    ASN  52           H        ASN  52   4.166 -15.121  -0.479
  395    HA   ASN  52           HA       ASN  52   1.786 -13.785   0.603
  396    HB2  ASN  52           1HB      ASN  52   3.974 -12.869   1.116
  397    HB3  ASN  52           2HB      ASN  52   4.358 -12.716  -0.600
  398   HD21  ASN  52          1HD2      ASN  52   4.041 -10.739  -1.478
  399   HD22  ASN  52          2HD2      ASN  52   2.807  -9.600  -0.945
  400    H    LEU  53           H        LEU  53   3.228 -14.242  -2.677
  401    HA   LEU  53           HA       LEU  53   1.151 -12.813  -4.029
  402    HB2  LEU  53           1HB      LEU  53   3.291 -13.357  -5.082
  403    HB3  LEU  53           2HB      LEU  53   2.919 -15.082  -5.009
  404    HG   LEU  53           HG       LEU  53   1.032 -14.783  -6.564
  405   HD11  LEU  53          1HD1      LEU  53   1.870 -11.846  -6.635
  406   HD12  LEU  53          2HD1      LEU  53   0.316 -12.486  -6.049
  407   HD13  LEU  53          3HD1      LEU  53   0.724 -12.627  -7.750
  408   HD21  LEU  53          3HD2      LEU  53   2.289 -14.319  -8.559
  409   HD22  LEU  53          1HD2      LEU  53   3.355 -15.158  -7.419
  410   HD23  LEU  53          2HD2      LEU  53   3.497 -13.394  -7.648
  411    H    ASN  54           H        ASN  54   1.303 -16.240  -2.960
  412    HA   ASN  54           HA       ASN  54  -1.157 -17.134  -4.034
  413    HB2  ASN  54           1HB      ASN  54   0.516 -18.577  -2.929
  414    HB3  ASN  54           2HB      ASN  54   0.187 -17.817  -1.380
  415   HD21  ASN  54          2HD2      ASN  54  -0.841 -20.249  -3.585
  416   HD22  ASN  54          1HD2      ASN  54  -2.199 -20.803  -2.613
  417    H    VAL  55           H        VAL  55  -0.625 -15.529  -0.845
  418    HA   VAL  55           HA       VAL  55  -3.398 -15.282  -0.143
  419    HB   VAL  55           HB       VAL  55  -0.947 -13.718   0.708
  420   HG11  VAL  55          1HG1      VAL  55  -2.289 -13.016   2.694
  421   HG12  VAL  55          2HG1      VAL  55  -2.876 -12.287   1.199
  422   HG13  VAL  55          3HG1      VAL  55  -3.750 -13.664   1.915
  423   HG21  VAL  55          3HG2      VAL  55  -0.998 -16.140   1.310
  424   HG22  VAL  55          1HG2      VAL  55  -1.103 -15.097   2.730
  425   HG23  VAL  55          2HG2      VAL  55  -2.565 -15.893   2.104
  426    H    HIS  56           H        HIS  56  -1.296 -13.138  -2.073
  427    HA   HIS  56           HA       HIS  56  -3.265 -11.065  -2.412
  428    HB2  HIS  56           1HB      HIS  56  -0.893 -10.676  -2.779
  429    HB3  HIS  56           2HB      HIS  56  -0.870 -11.846  -4.101
  430    HD1  HIS  56           1HD      HIS  56  -2.437  -8.406  -3.299
  431    HD2  HIS  56           2HD      HIS  56  -1.636 -11.039  -6.477
  432    HE1  HIS  56           1HE      HIS  56  -3.177  -7.196  -5.393
  433    H    LEU  57           H        LEU  57  -2.547 -13.956  -4.456
  434    HA   LEU  57           HA       LEU  57  -4.573 -13.465  -6.445
  435    HB2  LEU  57           1HB      LEU  57  -3.216 -15.944  -5.385
  436    HB3  LEU  57           2HB      LEU  57  -4.360 -16.019  -6.714
  437    HG   LEU  57           HG       LEU  57  -1.851 -14.284  -6.819
  438   HD11  LEU  57          1HD1      LEU  57  -2.277 -17.128  -7.821
  439   HD12  LEU  57          2HD1      LEU  57  -1.231 -16.638  -6.469
  440   HD13  LEU  57          3HD1      LEU  57  -0.841 -16.115  -8.116
  441   HD21  LEU  57          3HD2      LEU  57  -2.235 -14.560  -9.275
  442   HD22  LEU  57          1HD2      LEU  57  -3.505 -13.632  -8.471
  443   HD23  LEU  57          2HD2      LEU  57  -3.789 -15.332  -8.928
  444    H    ARG  58           H        ARG  58  -4.724 -14.998  -3.259
  445    HA   ARG  58           HA       ARG  58  -7.490 -15.811  -3.398
  446    HB2  ARG  58           1HB      ARG  58  -5.587 -15.291  -1.103
  447    HB3  ARG  58           2HB      ARG  58  -7.255 -15.795  -0.833
  448    HG2  ARG  58           1HG      ARG  58  -6.948 -17.907  -1.766
  449    HG3  ARG  58           2HG      ARG  58  -5.618 -17.394  -2.796
  450    HD2  ARG  58           1HD      ARG  58  -4.759 -18.860  -1.125
  451    HD3  ARG  58           2HD      ARG  58  -4.110 -17.235  -0.877
  452    HE   ARG  58           HE       ARG  58  -6.412 -17.575   0.779
  453   HH11  ARG  58          2HH1      ARG  58  -3.106 -18.741   0.535
  454   HH12  ARG  58          1HH1      ARG  58  -2.973 -18.992   2.258
  455   HH21  ARG  58          2HH2      ARG  58  -6.162 -17.919   2.980
  456   HH22  ARG  58          1HH2      ARG  58  -4.661 -18.539   3.600
  457    H    LYS  59           H        LYS  59  -6.286 -12.630  -3.371
  458    HA   LYS  59           HA       LYS  59  -8.842 -11.459  -2.402
  459    HB2  LYS  59           1HB      LYS  59  -6.522 -10.037  -3.767
  460    HB3  LYS  59           2HB      LYS  59  -7.868  -9.316  -2.892
  461    HG2  LYS  59           1HG      LYS  59  -7.053 -10.438  -0.793
  462    HG3  LYS  59           2HG      LYS  59  -5.630 -10.995  -1.703
  463    HD2  LYS  59           1HD      LYS  59  -5.035  -8.661  -2.235
  464    HD3  LYS  59           2HD      LYS  59  -6.407  -8.077  -1.286
  465    HE2  LYS  59           1HE      LYS  59  -4.112  -9.773  -0.186
  466    HE3  LYS  59           2HE      LYS  59  -4.176  -8.009  -0.105
  467    HZ1  LYS  59           3HZ      LYS  59  -6.136  -9.835   1.180
  468    HZ2  LYS  59           1HZ      LYS  59  -6.216  -8.202   1.217
  469    HZ3  LYS  59           2HZ      LYS  59  -4.984  -8.975   1.949
  470    H    HIS  60           H        HIS  60  -7.361 -12.439  -5.417
  471    HA   HIS  60           HA       HIS  60  -9.244 -10.948  -7.124
  472    HB2  HIS  60           1HB      HIS  60  -6.949 -12.873  -7.679
  473    HB3  HIS  60           2HB      HIS  60  -7.980 -12.213  -8.931
  474    HD1  HIS  60           1HD      HIS  60  -8.060  -9.305  -8.798
  475    HD2  HIS  60           2HD      HIS  60  -4.753 -11.505  -7.404
  476    HE1  HIS  60           1HE      HIS  60  -6.104  -7.691  -8.834
  477    H    THR  61           H        THR  61  -8.900 -14.269  -5.937
  478    HA   THR  61           HA       THR  61 -10.472 -15.564  -7.885
  479    HB   THR  61           HB       THR  61  -8.968 -16.681  -6.300
  480    HG1  THR  61           1HG      THR  61 -10.274 -18.491  -6.124
  481   HG21  THR  61          3HG2      THR  61 -11.248 -16.499  -4.286
  482   HG22  THR  61          1HG2      THR  61  -9.760 -15.537  -4.203
  483   HG23  THR  61          2HG2      THR  61  -9.676 -17.303  -4.080
  484    H    GLY  62           H        GLY  62 -12.577 -16.430  -7.895
  485    HA2  GLY  62           1HA      GLY  62 -14.536 -14.375  -7.348
  486    HA3  GLY  62           2HA      GLY  62 -14.812 -15.902  -8.173
  487    H    GLU  63           H        GLU  63 -16.740 -14.874  -6.607
  488    HA   GLU  63           HA       GLU  63 -16.814 -16.355  -4.048
  489    HB2  GLU  63           1HB      GLU  63 -17.517 -13.982  -4.091
  490    HB3  GLU  63           2HB      GLU  63 -18.781 -14.376  -5.266
  491    HG2  GLU  63           1HG      GLU  63 -19.903 -15.820  -3.632
  492    HG3  GLU  63           2HG      GLU  63 -18.571 -15.621  -2.489
  493    H    LYS  64           H        LYS  64 -18.183 -17.994  -3.702
  494    HA   LYS  64           HA       LYS  64 -19.458 -19.303  -6.064
  495    HB2  LYS  64           1HB      LYS  64 -18.989 -21.411  -5.173
  496    HB3  LYS  64           2HB      LYS  64 -17.508 -20.454  -5.202
  497    HG2  LYS  64           1HG      LYS  64 -17.774 -20.029  -2.728
  498    HG3  LYS  64           2HG      LYS  64 -19.239 -21.022  -2.752
  499    HD2  LYS  64           1HD      LYS  64 -17.534 -22.491  -2.017
  500    HD3  LYS  64           2HD      LYS  64 -17.880 -22.907  -3.696
  501    HE2  LYS  64           1HE      LYS  64 -15.516 -23.016  -3.434
  502    HE3  LYS  64           2HE      LYS  64 -15.859 -21.588  -4.412
  503    HZ1  LYS  64           3HZ      LYS  64 -15.548 -20.231  -2.395
  504    HZ2  LYS  64           1HZ      LYS  64 -14.220 -21.137  -2.665
  505    HZ3  LYS  64           2HZ      LYS  64 -15.268 -21.567  -1.492
  506    H    PHE  65           H        PHE  65 -21.300 -20.480  -5.890
  507    HA   PHE  65           HA       PHE  65 -23.231 -19.724  -3.743
  508    HB2  PHE  65           1HB      PHE  65 -23.797 -20.682  -6.566
  509    HB3  PHE  65           2HB      PHE  65 -24.960 -20.043  -5.411
  510    HD1  PHE  65           2HD      PHE  65 -24.256 -17.544  -4.498
  511    HD2  PHE  65           1HD      PHE  65 -23.104 -19.273  -8.278
  512    HE1  PHE  65           2HE      PHE  65 -23.845 -15.270  -5.418
  513    HE2  PHE  65           1HE      PHE  65 -22.717 -16.998  -9.198
  514    HZ   PHE  65           HZ       PHE  65 -23.105 -14.998  -7.778
  515    H    ALA  66           H        ALA  66 -24.705 -21.408  -3.034
  516    HA   ALA  66           HA       ALA  66 -23.595 -24.174  -3.289
  517    HB1  ALA  66           1HB      ALA  66 -22.927 -23.077  -1.169
  518    HB2  ALA  66           2HB      ALA  66 -24.640 -22.806  -0.782
  519    HB3  ALA  66           3HB      ALA  66 -24.007 -24.462  -0.903
  520    H    CYS  67           H        CYS  67 -24.941 -25.885  -3.272
  521    HA   CYS  67           HA       CYS  67 -27.639 -25.609  -4.196
  522    HB2  CYS  67           1HB      CYS  67 -26.067 -27.398  -4.783
  523    HB3  CYS  67           2HB      CYS  67 -26.074 -27.980  -3.111
  524    H    ASP  68           H        ASP  68 -29.555 -25.910  -3.198
  525    HA   ASP  68           HA       ASP  68 -29.691 -25.520  -0.271
  526    HB2  ASP  68           1HB      ASP  68 -31.029 -24.166  -1.920
  527    HB3  ASP  68           2HB      ASP  68 -31.928 -25.628  -2.322
  528    H    TYR  69           H        TYR  69 -29.540 -28.163  -2.318
  529    HA   TYR  69           HA       TYR  69 -31.289 -29.916  -0.627
  530    HB2  TYR  69           1HB      TYR  69 -30.545 -30.123  -3.539
  531    HB3  TYR  69           2HB      TYR  69 -31.624 -31.207  -2.670
  532    HD1  TYR  69           1HD      TYR  69 -33.892 -30.469  -2.019
  533    HD2  TYR  69           2HD      TYR  69 -31.239 -27.922  -4.277
  534    HE1  TYR  69           1HE      TYR  69 -35.813 -29.016  -2.644
  535    HE2  TYR  69           2HE      TYR  69 -33.158 -26.460  -4.888
  536    HH   TYR  69           HH       TYR  69 -35.410 -26.076  -4.661
  537    H    CYS  70           H        CYS  70 -28.022 -29.553  -1.890
  538    HA   CYS  70           HA       CYS  70 -27.145 -31.883  -0.348
  539    HB2  CYS  70           1HB      CYS  70 -25.999 -33.007  -2.074
  540    HB3  CYS  70           2HB      CYS  70 -27.658 -32.791  -2.593
  541    H    SER  71           H        SER  71 -24.521 -31.998  -1.037
  542    HA   SER  71           HA       SER  71 -23.418 -29.586   0.186
  543    HB2  SER  71           1HB      SER  71 -22.024 -32.119  -0.740
  544    HB3  SER  71           2HB      SER  71 -21.342 -30.861   0.309
  545    HG   SER  71           HG       SER  71 -22.159 -32.643   1.510
  546    H    PHE  72           H        PHE  72 -24.089 -30.158  -3.029
  547    HA   PHE  72           HA       PHE  72 -21.667 -29.527  -4.373
  548    HB2  PHE  72           1HB      PHE  72 -23.592 -30.575  -5.434
  549    HB3  PHE  72           2HB      PHE  72 -24.563 -29.137  -5.165
  550    HD1  PHE  72           1HD      PHE  72 -21.656 -30.478  -7.091
  551    HD2  PHE  72           2HD      PHE  72 -24.538 -27.299  -6.686
  552    HE1  PHE  72           1HE      PHE  72 -21.005 -29.597  -9.323
  553    HE2  PHE  72           2HE      PHE  72 -23.892 -26.425  -8.920
  554    HZ   PHE  72           HZ       PHE  72 -22.123 -27.575 -10.240
  555    H    THR  73           H        THR  73 -20.796 -27.692  -5.258
  556    HA   THR  73           HA       THR  73 -22.066 -25.061  -4.827
  557    HB   THR  73           HB       THR  73 -19.884 -24.045  -4.230
  558    HG1  THR  73           1HG      THR  73 -18.287 -25.491  -3.386
  559   HG21  THR  73          3HG2      THR  73 -20.721 -26.171  -2.216
  560   HG22  THR  73          1HG2      THR  73 -21.499 -24.590  -2.435
  561   HG23  THR  73          2HG2      THR  73 -19.822 -24.670  -1.888
  562    H    CYS  74           H        CYS  74 -21.497 -23.453  -6.308
  563    HA   CYS  74           HA       CYS  74 -19.548 -24.041  -8.432
  564    HB2  CYS  74           1HB      CYS  74 -21.738 -25.070  -9.164
  565    HB3  CYS  74           2HB      CYS  74 -22.451 -23.445  -9.158
  566    HG   CYS  74           HG       CYS  74 -21.826 -24.306 -11.616
  567    H    LEU  75           H        LEU  75 -18.815 -22.167  -9.537
  568    HA   LEU  75           HA       LEU  75 -19.352 -19.583  -8.211
  569    HB2  LEU  75           1HB      LEU  75 -17.370 -20.490 -10.324
  570    HB3  LEU  75           2HB      LEU  75 -17.645 -18.797  -9.950
  571    HG   LEU  75           HG       LEU  75 -17.082 -19.257  -7.536
  572   HD11  LEU  75          1HD1      LEU  75 -15.627 -21.237  -7.090
  573   HD12  LEU  75          2HD1      LEU  75 -16.079 -21.903  -8.673
  574   HD13  LEU  75          3HD1      LEU  75 -17.300 -21.693  -7.396
  575   HD21  LEU  75          3HD2      LEU  75 -14.926 -19.828  -9.608
  576   HD22  LEU  75          1HD2      LEU  75 -14.664 -19.235  -7.951
  577   HD23  LEU  75          2HD2      LEU  75 -15.510 -18.219  -9.127
  578    H    SER  76           H        SER  76 -20.868 -21.256 -10.695
  579    HA   SER  76           HA       SER  76 -21.979 -18.747 -11.898
  580    HB2  SER  76           1HB      SER  76 -20.897 -20.043 -13.600
  581    HB3  SER  76           2HB      SER  76 -21.679 -21.525 -13.045
  582    HG   SER  76           HG       SER  76 -22.847 -19.281 -14.346
  583    H    LYS  77           H        LYS  77 -23.954 -18.248 -11.316
  584    HA   LYS  77           HA       LYS  77 -25.660 -19.954  -9.724
  585    HB2  LYS  77           1HB      LYS  77 -25.490 -17.404  -9.721
  586    HB3  LYS  77           2HB      LYS  77 -26.453 -17.413 -11.204
  587    HG2  LYS  77           1HG      LYS  77 -28.256 -18.653  -9.959
  588    HG3  LYS  77           2HG      LYS  77 -27.279 -18.560  -8.494
  589    HD2  LYS  77           1HD      LYS  77 -28.419 -16.218 -10.080
  590    HD3  LYS  77           2HD      LYS  77 -29.060 -16.834  -8.563
  591    HE2  LYS  77           1HE      LYS  77 -26.316 -15.542  -8.939
  592    HE3  LYS  77           2HE      LYS  77 -27.752 -14.742  -8.302
  593    HZ1  LYS  77           3HZ      LYS  77 -26.361 -17.032  -7.019
  594    HZ2  LYS  77           1HZ      LYS  77 -27.748 -16.359  -6.459
  595    HZ3  LYS  77           2HZ      LYS  77 -26.368 -15.490  -6.496
  596    H    GLY  78           H        GLY  78 -25.497 -19.259 -13.185
  597    HA2  GLY  78           1HA      GLY  78 -27.955 -20.515 -14.003
  598    HA3  GLY  78           2HA      GLY  78 -26.520 -20.247 -15.005
  599    H    HIS  79           H        HIS  79 -24.577 -21.796 -13.730
  600    HA   HIS  79           HA       HIS  79 -25.328 -24.490 -14.470
  601    HB2  HIS  79           1HB      HIS  79 -22.907 -23.367 -13.037
  602    HB3  HIS  79           2HB      HIS  79 -23.090 -25.068 -13.460
  603    HD1  HIS  79           1HD      HIS  79 -22.687 -21.654 -15.233
  604    HD2  HIS  79           2HD      HIS  79 -22.657 -25.801 -15.964
  605    HE1  HIS  79           1HE      HIS  79 -21.840 -21.955 -17.624
  606    H    LEU  80           H        LEU  80 -25.178 -22.826 -11.292
  607    HA   LEU  80           HA       LEU  80 -25.810 -25.157  -9.752
  608    HB2  LEU  80           1HB      LEU  80 -24.905 -23.088  -8.774
  609    HB3  LEU  80           2HB      LEU  80 -26.375 -22.219  -9.211
  610    HG   LEU  80           HG       LEU  80 -27.706 -23.633  -7.679
  611   HD11  LEU  80          1HD1      LEU  80 -26.412 -25.726  -7.692
  612   HD12  LEU  80          2HD1      LEU  80 -26.531 -25.101  -6.054
  613   HD13  LEU  80          3HD1      LEU  80 -25.018 -24.890  -6.958
  614   HD21  LEU  80          3HD2      LEU  80 -25.244 -22.510  -6.306
  615   HD22  LEU  80          1HD2      LEU  80 -26.865 -22.722  -5.611
  616   HD23  LEU  80          2HD2      LEU  80 -26.613 -21.530  -6.892
  617    H    LYS  81           H        LYS  81 -27.968 -22.742 -11.347
  618    HA   LYS  81           HA       LYS  81 -30.435 -23.950 -10.533
  619    HB2  LYS  81           1HB      LYS  81 -30.192 -21.681 -11.529
  620    HB3  LYS  81           2HB      LYS  81 -29.830 -22.412 -13.098
  621    HG2  LYS  81           1HG      LYS  81 -32.065 -23.490 -13.123
  622    HG3  LYS  81           2HG      LYS  81 -32.413 -22.810 -11.520
  623    HD2  LYS  81           1HD      LYS  81 -32.214 -20.517 -12.450
  624    HD3  LYS  81           2HD      LYS  81 -31.851 -21.198 -14.053
  625    HE2  LYS  81           1HE      LYS  81 -34.054 -22.353 -14.056
  626    HE3  LYS  81           2HE      LYS  81 -34.417 -21.675 -12.463
  627    HZ1  LYS  81           3HZ      LYS  81 -35.420 -20.353 -14.236
  628    HZ2  LYS  81           1HZ      LYS  81 -33.972 -20.076 -14.933
  629    HZ3  LYS  81           2HZ      LYS  81 -34.306 -19.450 -13.459
  630    H    VAL  82           H        VAL  82 -28.391 -24.619 -13.404
  631    HA   VAL  82           HA       VAL  82 -30.031 -26.730 -14.455
  632    HB   VAL  82           HB       VAL  82 -27.061 -26.166 -14.749
  633   HG11  VAL  82          1HG1      VAL  82 -27.346 -28.549 -15.215
  634   HG12  VAL  82          2HG1      VAL  82 -28.776 -28.209 -16.224
  635   HG13  VAL  82          3HG1      VAL  82 -27.154 -27.678 -16.736
  636   HG21  VAL  82          3HG2      VAL  82 -29.416 -25.814 -16.665
  637   HG22  VAL  82          1HG2      VAL  82 -28.663 -24.503 -15.746
  638   HG23  VAL  82          2HG2      VAL  82 -27.724 -25.361 -16.970
  639    H    HIS  83           H        HIS  83 -27.324 -26.905 -12.057
  640    HA   HIS  83           HA       HIS  83 -27.437 -29.716 -11.631
  641    HB2  HIS  83           1HB      HIS  83 -25.624 -28.473 -10.710
  642    HB3  HIS  83           2HB      HIS  83 -26.690 -27.382  -9.840
  643    HD1  HIS  83           1HD      HIS  83 -25.239 -30.907  -9.530
  644    HD2  HIS  83           2HD      HIS  83 -27.688 -28.168  -7.493
  645    HE1  HIS  83           1HE      HIS  83 -25.559 -31.865  -7.203
  646    H    ILE  84           H        ILE  84 -29.362 -27.117 -10.012
  647    HA   ILE  84           HA       ILE  84 -30.853 -28.938  -8.370
  648    HB   ILE  84           HB       ILE  84 -31.448 -26.104  -9.270
  649   HG12  ILE  84          1HG1      ILE  84 -30.518 -27.195  -6.565
  650   HG13  ILE  84          2HG1      ILE  84 -29.411 -26.585  -7.778
  651   HG21  ILE  84          1HG2      ILE  84 -33.138 -26.056  -7.439
  652   HG22  ILE  84          2HG2      ILE  84 -33.583 -27.215  -8.675
  653   HG23  ILE  84          3HG2      ILE  84 -32.868 -27.788  -7.149
  654   HD11  ILE  84          3HD1      ILE  84 -30.528 -24.359  -7.698
  655   HD12  ILE  84          1HD1      ILE  84 -31.522 -24.949  -6.341
  656   HD13  ILE  84          2HD1      ILE  84 -29.764 -24.854  -6.176
  657    H    GLU  85           H        GLU  85 -31.638 -27.584 -11.607
  658    HA   GLU  85           HA       GLU  85 -34.156 -28.935 -11.809
  659    HB2  GLU  85           1HB      GLU  85 -32.245 -27.765 -13.859
  660    HB3  GLU  85           2HB      GLU  85 -33.758 -28.517 -14.336
  661    HG2  GLU  85           1HG      GLU  85 -33.520 -26.154 -12.429
  662    HG3  GLU  85           2HG      GLU  85 -33.913 -26.050 -14.141
  663    H    ARG  86           H        ARG  86 -30.885 -30.093 -12.607
  664    HA   ARG  86           HA       ARG  86 -31.918 -32.544 -13.889
  665    HB2  ARG  86           1HB      ARG  86 -29.121 -31.568 -13.209
  666    HB3  ARG  86           2HB      ARG  86 -29.458 -33.155 -13.910
  667    HG2  ARG  86           1HG      ARG  86 -30.590 -32.092 -15.844
  668    HG3  ARG  86           2HG      ARG  86 -30.205 -30.488 -15.196
  669    HD2  ARG  86           1HD      ARG  86 -27.797 -31.006 -15.300
  670    HD3  ARG  86           2HD      ARG  86 -28.142 -32.628 -15.896
  671    HE   ARG  86           HE       ARG  86 -28.221 -30.109 -17.399
  672   HH11  ARG  86          2HH1      ARG  86 -29.256 -33.461 -17.505
  673   HH12  ARG  86          1HH1      ARG  86 -29.462 -33.431 -19.233
  674   HH21  ARG  86          2HH2      ARG  86 -28.514 -30.147 -19.595
  675   HH22  ARG  86          1HH2      ARG  86 -29.051 -31.605 -20.376
  676    H    VAL  87           H        VAL  87 -30.462 -31.773 -10.737
  677    HA   VAL  87           HA       VAL  87 -30.507 -34.653 -10.006
  678    HB   VAL  87           HB       VAL  87 -29.197 -32.326  -8.560
  679   HG11  VAL  87          1HG1      VAL  87 -27.795 -34.095  -7.531
  680   HG12  VAL  87          2HG1      VAL  87 -29.490 -34.288  -7.100
  681   HG13  VAL  87          3HG1      VAL  87 -28.775 -35.340  -8.339
  682   HG21  VAL  87          3HG2      VAL  87 -28.180 -32.570 -10.799
  683   HG22  VAL  87          1HG2      VAL  87 -27.081 -33.187  -9.573
  684   HG23  VAL  87          2HG2      VAL  87 -28.026 -34.323 -10.557
  685    H    HIS  88           H        HIS  88 -32.136 -31.656  -9.049
  686    HA   HIS  88           HA       HIS  88 -33.458 -33.103  -6.786
  687    HB2  HIS  88           1HB      HIS  88 -32.620 -30.196  -6.870
  688    HB3  HIS  88           2HB      HIS  88 -33.307 -31.068  -5.506
  689    HD1  HIS  88           1HD      HIS  88 -31.570 -33.308  -4.739
  690    HD2  HIS  88           2HD      HIS  88 -30.078 -29.920  -6.714
  691    HE1  HIS  88           1HE      HIS  88 -29.091 -33.207  -4.171
  692    H    LYS  89           H        LYS  89 -34.356 -32.337  -9.665
  693    HA   LYS  89           HA       LYS  89 -37.127 -31.594  -8.892
  694    HB2  LYS  89           1HB      LYS  89 -35.545 -30.288 -11.113
  695    HB3  LYS  89           2HB      LYS  89 -37.279 -30.118 -10.943
  696    HG2  LYS  89           1HG      LYS  89 -35.330 -29.241  -8.772
  697    HG3  LYS  89           2HG      LYS  89 -35.882 -28.187 -10.057
  698    HD2  LYS  89           1HD      LYS  89 -38.085 -28.120  -9.319
  699    HD3  LYS  89           2HD      LYS  89 -37.977 -29.606  -8.380
  700    HE2  LYS  89           1HE      LYS  89 -36.287 -27.201  -7.636
  701    HE3  LYS  89           2HE      LYS  89 -37.989 -27.270  -7.164
  702    HZ1  LYS  89           3HZ      LYS  89 -36.074 -29.444  -6.498
  703    HZ2  LYS  89           1HZ      LYS  89 -37.593 -29.269  -5.946
  704    HZ3  LYS  89           2HZ      LYS  89 -36.450 -28.203  -5.471
  705    H    LYS  90           H        LYS  90 -38.716 -32.120 -10.530
  706    HA   LYS  90           HA       LYS  90 -38.287 -34.727 -11.713
  707    HB2  LYS  90           1HB      LYS  90 -40.588 -34.635 -12.389
  708    HB3  LYS  90           2HB      LYS  90 -40.439 -34.077 -10.725
  709    HG2  LYS  90           1HG      LYS  90 -40.599 -31.712 -11.501
  710    HG3  LYS  90           2HG      LYS  90 -40.769 -32.265 -13.171
  711    HD2  LYS  90           1HD      LYS  90 -42.696 -32.935 -10.905
  712    HD3  LYS  90           2HD      LYS  90 -42.920 -31.642 -12.092
  713    HE2  LYS  90           1HE      LYS  90 -42.870 -33.327 -13.933
  714    HE3  LYS  90           2HE      LYS  90 -42.717 -34.619 -12.735
  715    HZ1  LYS  90           3HZ      LYS  90 -45.021 -32.752 -12.937
  716    HZ2  LYS  90           1HZ      LYS  90 -44.876 -33.942 -11.826
  717    HZ3  LYS  90           2HZ      LYS  90 -45.028 -34.312 -13.407
  718    H    ILE  91           H        ILE  91 -38.555 -35.362 -13.882
  719    HA   ILE  91           HA       ILE  91 -37.110 -33.811 -15.805
  720    HB   ILE  91           HB       ILE  91 -37.674 -35.574 -17.398
  721   HG12  ILE  91          1HG1      ILE  91 -39.236 -36.900 -15.129
  722   HG13  ILE  91          2HG1      ILE  91 -39.955 -36.148 -16.556
  723   HG21  ILE  91          1HG2      ILE  91 -36.295 -37.267 -16.349
  724   HG22  ILE  91          2HG2      ILE  91 -35.731 -35.684 -15.822
  725   HG23  ILE  91          3HG2      ILE  91 -36.710 -36.682 -14.726
  726   HD11  ILE  91          3HD1      ILE  91 -38.710 -37.759 -18.007
  727   HD12  ILE  91          1HD1      ILE  91 -38.157 -38.595 -16.535
  728   HD13  ILE  91          2HD1      ILE  91 -39.886 -38.519 -16.911
  729    H    LYS  92           H        LYS  92 -37.724 -32.868 -17.639
  730    HA   LYS  92           HA       LYS  92 -40.500 -32.220 -18.324
  731    HB2  LYS  92           1HB      LYS  92 -40.200 -29.789 -17.994
  732    HB3  LYS  92           2HB      LYS  92 -40.192 -30.703 -16.490
  733    HG2  LYS  92           1HG      LYS  92 -37.688 -30.534 -16.407
  734    HG3  LYS  92           2HG      LYS  92 -37.717 -29.627 -17.921
  735    HD2  LYS  92           1HD      LYS  92 -37.479 -28.080 -16.075
  736    HD3  LYS  92           2HD      LYS  92 -39.041 -27.843 -16.851
  737    HE2  LYS  92           1HE      LYS  92 -39.385 -27.687 -14.499
  738    HE3  LYS  92           2HE      LYS  92 -40.120 -29.201 -15.023
  739    HZ1  LYS  92           3HZ      LYS  92 -38.798 -29.445 -12.989
  740    HZ2  LYS  92           1HZ      LYS  92 -37.448 -28.918 -13.738
  741    HZ3  LYS  92           2HZ      LYS  92 -38.128 -30.366 -14.162
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  -2.442  31.003  12.540
    2    H2   GLY   1           2H       GLY   1  -2.038  30.857  10.958
    3    H3   GLY   1           3H       GLY   1  -2.124  29.525  11.908
    4    HA2  GLY   1           1HA      GLY   1  -4.494  29.792  12.195
    5    HA3  GLY   1           2HA      GLY   1  -4.408  31.252  11.191
    6    H    SER   2           H        SER   2  -5.925  28.718  10.778
    7    HA   SER   2           HA       SER   2  -4.671  27.044   8.851
    8    HB2  SER   2           1HB      SER   2  -6.972  26.170   8.494
    9    HB3  SER   2           2HB      SER   2  -6.492  26.257  10.197
   10    HG   SER   2           HG       SER   2  -8.618  27.079   9.834
   11    H    SER   3           H        SER   3  -6.189  30.139   8.351
   12    HA   SER   3           HA       SER   3  -6.690  29.876   5.519
   13    HB2  SER   3           1HB      SER   3  -6.176  32.382   7.164
   14    HB3  SER   3           2HB      SER   3  -6.915  32.305   5.552
   15    HG   SER   3           HG       SER   3  -8.491  32.443   7.218
   16    H    GLY   4           H        GLY   4  -3.703  30.103   7.215
   17    HA2  GLY   4           1HA      GLY   4  -2.160  31.650   5.322
   18    HA3  GLY   4           2HA      GLY   4  -1.534  30.597   6.586
   19    H    SER   5           H        SER   5  -0.417  30.880   3.993
   20    HA   SER   5           HA       SER   5  -1.096  28.566   2.353
   21    HB2  SER   5           1HB      SER   5   0.883  29.312   1.012
   22    HB3  SER   5           2HB      SER   5  -0.391  30.518   1.216
   23    HG   SER   5           HG       SER   5   2.091  30.392   2.627
   24    H    SER   6           H        SER   6   0.198  26.792   1.883
   25    HA   SER   6           HA       SER   6   2.451  26.094   3.706
   26    HB2  SER   6           1HB      SER   6   0.033  24.333   3.135
   27    HB3  SER   6           2HB      SER   6   1.510  23.815   3.967
   28    HG   SER   6           HG       SER   6  -0.167  24.419   5.427
   29    H    GLY   7           H        GLY   7   3.918  24.578   2.879
   30    HA2  GLY   7           1HA      GLY   7   4.213  24.437  -0.012
   31    HA3  GLY   7           2HA      GLY   7   5.250  23.684   1.196
   32    H    LYS   8           H        LYS   8   4.553  22.443  -1.195
   33    HA   LYS   8           HA       LYS   8   2.461  20.446  -0.785
   34    HB2  LYS   8           1HB      LYS   8   3.089  21.332  -3.011
   35    HB3  LYS   8           2HB      LYS   8   4.691  20.598  -2.864
   36    HG2  LYS   8           1HG      LYS   8   3.741  18.362  -2.901
   37    HG3  LYS   8           2HG      LYS   8   2.090  19.006  -2.776
   38    HD2  LYS   8           1HD      LYS   8   2.296  20.051  -4.988
   39    HD3  LYS   8           2HD      LYS   8   3.983  19.506  -5.116
   40    HE2  LYS   8           1HE      LYS   8   3.251  17.148  -4.993
   41    HE3  LYS   8           2HE      LYS   8   1.571  17.661  -4.793
   42    HZ1  LYS   8           3HZ      LYS   8   3.224  18.202  -7.204
   43    HZ2  LYS   8           1HZ      LYS   8   1.666  18.659  -7.008
   44    HZ3  LYS   8           2HZ      LYS   8   2.045  17.076  -7.101
   45    H    ILE   9           H        ILE   9   2.740  18.213  -0.593
   46    HA   ILE   9           HA       ILE   9   5.210  17.284   0.810
   47    HB   ILE   9           HB       ILE   9   2.330  16.701   1.607
   48   HG12  ILE   9          1HG1      ILE   9   4.452  18.366   3.049
   49   HG13  ILE   9          2HG1      ILE   9   3.060  19.027   2.197
   50   HG21  ILE   9          1HG2      ILE   9   4.962  15.822   2.858
   51   HG22  ILE   9          2HG2      ILE   9   3.345  15.523   3.539
   52   HG23  ILE   9          3HG2      ILE   9   3.785  14.778   2.022
   53   HD11  ILE   9          3HD1      ILE   9   1.531  17.815   3.748
   54   HD12  ILE   9          1HD1      ILE   9   2.956  17.373   4.728
   55   HD13  ILE   9          2HD1      ILE   9   2.533  19.074   4.495
   56    H    PHE  10           H        PHE  10   5.867  15.222   0.361
   57    HA   PHE  10           HA       PHE  10   4.460  13.755  -1.843
   58    HB2  PHE  10           1HB      PHE  10   7.434  14.238  -1.404
   59    HB3  PHE  10           2HB      PHE  10   6.745  13.208  -2.647
   60    HD1  PHE  10           1HD      PHE  10   7.117  16.734  -1.524
   61    HD2  PHE  10           2HD      PHE  10   5.751  14.112  -4.663
   62    HE1  PHE  10           1HE      PHE  10   6.910  18.679  -3.055
   63    HE2  PHE  10           2HE      PHE  10   5.559  16.054  -6.198
   64    HZ   PHE  10           HZ       PHE  10   6.149  18.335  -5.405
   65    H    THR  11           H        THR  11   4.220  11.545  -1.584
   66    HA   THR  11           HA       THR  11   5.322  10.324   0.915
   67    HB   THR  11           HB       THR  11   2.483  10.086  -0.127
   68    HG1  THR  11           1HG      THR  11   1.965  11.387   1.615
   69   HG21  THR  11          3HG2      THR  11   2.041   9.129   2.129
   70   HG22  THR  11          1HG2      THR  11   3.784   9.173   2.475
   71   HG23  THR  11          2HG2      THR  11   3.148   8.124   1.187
   72    H    CYS  12           H        CYS  12   6.033   8.298   0.816
   73    HA   CYS  12           HA       CYS  12   6.321   6.896  -1.710
   74    HB2  CYS  12           1HB      CYS  12   8.053   6.942  -0.012
   75    HB3  CYS  12           2HB      CYS  12   6.964   6.176   1.170
   76    H    GLU  13           H        GLU  13   5.047   5.389  -2.563
   77    HA   GLU  13           HA       GLU  13   2.593   4.539  -1.178
   78    HB2  GLU  13           1HB      GLU  13   1.890   3.645  -3.279
   79    HB3  GLU  13           2HB      GLU  13   2.513   5.275  -3.514
   80    HG2  GLU  13           1HG      GLU  13   4.670   4.309  -4.343
   81    HG3  GLU  13           2HG      GLU  13   3.997   2.687  -4.148
   82    H    TYR  14           H        TYR  14   5.727   3.355  -1.188
   83    HA   TYR  14           HA       TYR  14   4.911   0.485  -1.027
   84    HB2  TYR  14           1HB      TYR  14   7.622   1.766  -1.385
   85    HB3  TYR  14           2HB      TYR  14   7.303   0.043  -1.361
   86    HD1  TYR  14           2HD      TYR  14   5.999  -1.030  -3.224
   87    HD2  TYR  14           1HD      TYR  14   7.278   3.089  -3.368
   88    HE1  TYR  14           2HE      TYR  14   5.688  -1.022  -5.695
   89    HE2  TYR  14           1HE      TYR  14   6.967   3.093  -5.846
   90    HH   TYR  14           HH       TYR  14   5.834   0.201  -7.631
   91    H    CYS  15           H        CYS  15   6.480   3.030   0.914
   92    HA   CYS  15           HA       CYS  15   6.248   1.247   3.275
   93    HB2  CYS  15           1HB      CYS  15   8.386   1.827   4.126
   94    HB3  CYS  15           2HB      CYS  15   8.546   1.103   2.528
   95    H    ASN  16           H        ASN  16   4.994   3.924   2.087
   96    HA   ASN  16           HA       ASN  16   3.872   5.680   2.864
   97    HB2  ASN  16           1HB      ASN  16   2.849   3.730   4.070
   98    HB3  ASN  16           2HB      ASN  16   3.768   4.199   5.502
   99   HD21  ASN  16          1HD2      ASN  16   1.522   5.659   3.058
  100   HD22  ASN  16          2HD2      ASN  16   0.651   6.600   4.256
  101    H    LYS  17           H        LYS  17   6.920   5.706   3.433
  102    HA   LYS  17           HA       LYS  17   7.315   7.735   5.453
  103    HB2  LYS  17           1HB      LYS  17   8.897   6.849   3.017
  104    HB3  LYS  17           2HB      LYS  17   9.446   8.161   4.082
  105    HG2  LYS  17           1HG      LYS  17   9.505   6.642   6.003
  106    HG3  LYS  17           2HG      LYS  17   8.844   5.336   5.001
  107    HD2  LYS  17           1HD      LYS  17  10.860   5.651   3.455
  108    HD3  LYS  17           2HD      LYS  17  11.517   6.777   4.636
  109    HE2  LYS  17           1HE      LYS  17  12.519   4.565   4.802
  110    HE3  LYS  17           2HE      LYS  17  11.696   5.011   6.302
  111    HZ1  LYS  17           3HZ      LYS  17  11.257   2.671   5.461
  112    HZ2  LYS  17           1HZ      LYS  17  10.375   3.330   4.230
  113    HZ3  LYS  17           2HZ      LYS  17   9.911   3.542   5.771
  114    H    VAL  18           H        VAL  18   7.728   9.890   5.210
  115    HA   VAL  18           HA       VAL  18   6.348  11.265   2.932
  116    HB   VAL  18           HB       VAL  18   6.322  12.088   5.855
  117   HG11  VAL  18          1HG1      VAL  18   6.187  14.047   4.371
  118   HG12  VAL  18          2HG1      VAL  18   4.933  13.238   3.398
  119   HG13  VAL  18          3HG1      VAL  18   4.603  13.730   5.073
  120   HG21  VAL  18          3HG2      VAL  18   3.897  11.578   5.742
  121   HG22  VAL  18          1HG2      VAL  18   4.106  10.945   4.096
  122   HG23  VAL  18          2HG2      VAL  18   4.861  10.125   5.481
  123    H    PHE  19           H        PHE  19   7.275  12.963   2.016
  124    HA   PHE  19           HA       PHE  19   9.952  13.917   2.913
  125    HB2  PHE  19           1HB      PHE  19   9.146  13.056   0.106
  126    HB3  PHE  19           2HB      PHE  19  10.707  13.701   0.586
  127    HD1  PHE  19           2HD      PHE  19  12.289  12.336   1.957
  128    HD2  PHE  19           1HD      PHE  19   8.530  10.738   0.578
  129    HE1  PHE  19           2HE      PHE  19  13.037  10.047   2.567
  130    HE2  PHE  19           1HE      PHE  19   9.284   8.453   1.180
  131    HZ   PHE  19           HZ       PHE  19  11.525   8.100   2.219
  132    H    LYS  20           H        LYS  20  10.527  15.996   2.270
  133    HA   LYS  20           HA       LYS  20   8.312  17.862   2.008
  134    HB2  LYS  20           1HB      LYS  20  10.324  18.105   3.480
  135    HB3  LYS  20           2HB      LYS  20  11.295  18.436   2.041
  136    HG2  LYS  20           1HG      LYS  20   9.939  20.419   1.537
  137    HG3  LYS  20           2HG      LYS  20   8.824  20.047   2.858
  138    HD2  LYS  20           1HD      LYS  20  11.782  20.682   3.210
  139    HD3  LYS  20           2HD      LYS  20  10.471  21.869   3.331
  140    HE2  LYS  20           1HE      LYS  20   9.455  20.549   5.188
  141    HE3  LYS  20           2HE      LYS  20  10.802  19.407   5.106
  142    HZ1  LYS  20           3HZ      LYS  20  12.305  21.244   5.668
  143    HZ2  LYS  20           1HZ      LYS  20  11.168  21.077   6.824
  144    HZ3  LYS  20           2HZ      LYS  20  11.058  22.297   5.748
  145    H    PHE  21           H        PHE  21  10.549  16.507  -0.302
  146    HA   PHE  21           HA       PHE  21   9.505  18.322  -2.431
  147    HB2  PHE  21           1HB      PHE  21  12.417  17.548  -2.054
  148    HB3  PHE  21           2HB      PHE  21  11.755  18.561  -3.327
  149    HD1  PHE  21           2HD      PHE  21  10.529  20.765  -2.594
  150    HD2  PHE  21           1HD      PHE  21  13.255  18.558  -0.082
  151    HE1  PHE  21           2HE      PHE  21  10.902  22.794  -1.210
  152    HE2  PHE  21           1HE      PHE  21  13.635  20.592   1.291
  153    HZ   PHE  21           HZ       PHE  21  12.457  22.712   0.732
  154    H    LYS  22           H        LYS  22   9.576  17.570  -4.538
  155    HA   LYS  22           HA       LYS  22   8.937  14.858  -4.999
  156    HB2  LYS  22           1HB      LYS  22   8.368  16.932  -6.384
  157    HB3  LYS  22           2HB      LYS  22   9.989  16.843  -7.068
  158    HG2  LYS  22           1HG      LYS  22   9.483  14.564  -7.943
  159    HG3  LYS  22           2HG      LYS  22   7.871  14.644  -7.201
  160    HD2  LYS  22           1HD      LYS  22   7.354  16.652  -8.603
  161    HD3  LYS  22           2HD      LYS  22   8.949  16.500  -9.374
  162    HE2  LYS  22           1HE      LYS  22   8.329  14.205 -10.141
  163    HE3  LYS  22           2HE      LYS  22   6.735  14.397  -9.393
  164    HZ1  LYS  22           3HZ      LYS  22   6.326  16.263 -10.915
  165    HZ2  LYS  22           1HZ      LYS  22   6.672  14.916 -11.768
  166    HZ3  LYS  22           2HZ      LYS  22   7.798  16.083 -11.604
  167    H    HIS  23           H        HIS  23  12.053  16.539  -5.496
  168    HA   HIS  23           HA       HIS  23  13.410  14.302  -6.653
  169    HB2  HIS  23           1HB      HIS  23  15.463  15.567  -6.179
  170    HB3  HIS  23           2HB      HIS  23  14.232  16.506  -7.005
  171    HD1  HIS  23           1HD      HIS  23  13.679  18.819  -5.924
  172    HD2  HIS  23           2HD      HIS  23  15.768  16.156  -3.420
  173    HE1  HIS  23           1HE      HIS  23  14.319  20.145  -3.843
  174    H    SER  24           H        SER  24  12.924  15.203  -3.230
  175    HA   SER  24           HA       SER  24  14.749  13.264  -2.139
  176    HB2  SER  24           1HB      SER  24  12.258  14.482  -0.895
  177    HB3  SER  24           2HB      SER  24  13.544  13.607  -0.040
  178    HG   SER  24           HG       SER  24  13.958  15.809   0.108
  179    H    LEU  25           H        LEU  25  11.203  13.114  -2.828
  180    HA   LEU  25           HA       LEU  25  10.958  10.358  -2.044
  181    HB2  LEU  25           1HB      LEU  25   9.007  11.797  -2.177
  182    HB3  LEU  25           2HB      LEU  25   9.273  12.078  -3.901
  183    HG   LEU  25           HG       LEU  25   8.827   9.698  -4.389
  184   HD11  LEU  25          1HD1      LEU  25   7.892   8.202  -2.682
  185   HD12  LEU  25          2HD1      LEU  25   8.167   9.423  -1.423
  186   HD13  LEU  25          3HD1      LEU  25   9.537   8.650  -2.249
  187   HD21  LEU  25          3HD2      LEU  25   6.962  11.324  -4.377
  188   HD22  LEU  25          1HD2      LEU  25   6.639  10.902  -2.675
  189   HD23  LEU  25          2HD2      LEU  25   6.445   9.684  -3.947
  190    H    GLN  26           H        GLN  26  11.618  11.851  -5.280
  191    HA   GLN  26           HA       GLN  26  11.685   9.397  -6.728
  192    HB2  GLN  26           1HB      GLN  26  12.993  12.100  -7.142
  193    HB3  GLN  26           2HB      GLN  26  13.275  10.784  -8.264
  194    HG2  GLN  26           1HG      GLN  26  10.504  11.849  -7.529
  195    HG3  GLN  26           2HG      GLN  26  11.418  12.348  -8.946
  196   HE21  GLN  26          1HE2      GLN  26   8.834  11.251  -9.207
  197   HE22  GLN  26          2HE2      GLN  26   9.001   9.682  -9.983
  198    H    ALA  27           H        ALA  27  14.361  11.025  -4.957
  199    HA   ALA  27           HA       ALA  27  16.301   9.005  -5.664
  200    HB1  ALA  27           1HB      ALA  27  16.878  11.299  -5.038
  201    HB2  ALA  27           2HB      ALA  27  16.247  11.023  -3.394
  202    HB3  ALA  27           3HB      ALA  27  17.667  10.116  -3.970
  203    H    HIS  28           H        HIS  28  13.984   9.295  -2.945
  204    HA   HIS  28           HA       HIS  28  14.946   6.995  -1.491
  205    HB2  HIS  28           1HB      HIS  28  13.547   8.594  -0.375
  206    HB3  HIS  28           2HB      HIS  28  12.279   8.448  -1.591
  207    HD1  HIS  28           1HD      HIS  28  13.970   6.102   1.001
  208    HD2  HIS  28           2HD      HIS  28  10.413   6.697  -1.159
  209    HE1  HIS  28           1HE      HIS  28  12.391   4.277   1.761
  210    H    LEU  29           H        LEU  29  12.468   7.366  -4.058
  211    HA   LEU  29           HA       LEU  29  11.435   4.762  -4.024
  212    HB2  LEU  29           1HB      LEU  29  11.653   6.905  -6.149
  213    HB3  LEU  29           2HB      LEU  29  10.942   5.354  -6.550
  214    HG   LEU  29           HG       LEU  29   9.902   7.050  -4.245
  215   HD11  LEU  29          1HD1      LEU  29   9.672   8.295  -6.363
  216   HD12  LEU  29          2HD1      LEU  29   8.098   7.720  -5.798
  217   HD13  LEU  29          3HD1      LEU  29   8.922   6.879  -7.129
  218   HD21  LEU  29          3HD2      LEU  29   9.250   4.673  -4.134
  219   HD22  LEU  29          1HD2      LEU  29   8.693   4.739  -5.817
  220   HD23  LEU  29          2HD2      LEU  29   7.866   5.680  -4.554
  221    H    ARG  30           H        ARG  30  14.577   5.646  -5.211
  222    HA   ARG  30           HA       ARG  30  15.097   3.617  -7.113
  223    HB2  ARG  30           1HB      ARG  30  16.924   4.792  -4.975
  224    HB3  ARG  30           2HB      ARG  30  17.476   3.816  -6.340
  225    HG2  ARG  30           1HG      ARG  30  16.566   5.473  -7.938
  226    HG3  ARG  30           2HG      ARG  30  16.043   6.500  -6.598
  227    HD2  ARG  30           1HD      ARG  30  18.919   5.678  -7.172
  228    HD3  ARG  30           2HD      ARG  30  18.190   7.236  -7.597
  229    HE   ARG  30           HE       ARG  30  17.752   6.899  -4.840
  230   HH11  ARG  30          2HH1      ARG  30  20.574   7.335  -6.877
  231   HH12  ARG  30          1HH1      ARG  30  21.502   8.043  -5.582
  232   HH21  ARG  30          2HH2      ARG  30  18.978   7.748  -3.250
  233   HH22  ARG  30          1HH2      ARG  30  20.607   8.279  -3.568
  234    H    ILE  31           H        ILE  31  14.756   3.168  -3.613
  235    HA   ILE  31           HA       ILE  31  15.875   0.468  -3.664
  236    HB   ILE  31           HB       ILE  31  15.346   0.295  -1.437
  237   HG12  ILE  31          1HG1      ILE  31  13.527   2.715  -1.613
  238   HG13  ILE  31          2HG1      ILE  31  13.063   1.042  -1.327
  239   HG21  ILE  31          1HG2      ILE  31  16.623   2.096  -0.484
  240   HG22  ILE  31          2HG2      ILE  31  17.225   1.838  -2.123
  241   HG23  ILE  31          3HG2      ILE  31  16.145   3.210  -1.780
  242   HD11  ILE  31          3HD1      ILE  31  13.011   2.132   0.778
  243   HD12  ILE  31          1HD1      ILE  31  14.422   1.054   0.777
  244   HD13  ILE  31          2HD1      ILE  31  14.637   2.811   0.558
  245    H    HIS  32           H        HIS  32  12.824   1.783  -4.395
  246    HA   HIS  32           HA       HIS  32  11.359  -0.785  -4.005
  247    HB2  HIS  32           1HB      HIS  32  10.314   2.018  -4.511
  248    HB3  HIS  32           2HB      HIS  32   9.350   0.585  -4.190
  249    HD1  HIS  32           1HD      HIS  32  10.199  -0.575  -1.571
  250    HD2  HIS  32           2HD      HIS  32  10.381   3.523  -2.454
  251    HE1  HIS  32           1HE      HIS  32  10.057   0.623   0.668
  252    H    THR  33           H        THR  33  12.375   1.449  -6.603
  253    HA   THR  33           HA       THR  33  10.561   0.390  -8.581
  254    HB   THR  33           HB       THR  33  12.053   1.607 -10.204
  255    HG1  THR  33           1HG      THR  33  13.650   2.896  -9.339
  256   HG21  THR  33          3HG2      THR  33  11.467   3.861  -9.383
  257   HG22  THR  33          1HG2      THR  33  11.063   3.183  -7.791
  258   HG23  THR  33          2HG2      THR  33  10.117   2.726  -9.219
  259    H    ASN  34           H        ASN  34  13.534  -0.887  -7.410
  260    HA   ASN  34           HA       ASN  34  14.315  -2.429  -9.706
  261    HB2  ASN  34           1HB      ASN  34  15.476  -3.872  -7.923
  262    HB3  ASN  34           2HB      ASN  34  15.975  -2.196  -8.117
  263   HD21  ASN  34          1HD2      ASN  34  13.142  -3.496  -6.244
  264   HD22  ASN  34          2HD2      ASN  34  13.728  -2.767  -4.740
  265    H    GLU  35           H        GLU  35  14.085  -4.572 -10.194
  266    HA   GLU  35           HA       GLU  35  11.401  -5.437 -10.221
  267    HB2  GLU  35           1HB      GLU  35  13.848  -7.033 -11.073
  268    HB3  GLU  35           2HB      GLU  35  12.183  -7.259 -11.591
  269    HG2  GLU  35           1HG      GLU  35  12.846  -6.093 -13.385
  270    HG3  GLU  35           2HG      GLU  35  12.447  -4.702 -12.391
  271    H    LYS  36           H        LYS  36  10.562  -7.585  -9.869
  272    HA   LYS  36           HA       LYS  36  11.531  -9.029  -7.437
  273    HB2  LYS  36           1HB      LYS  36   8.635  -8.325  -8.068
  274    HB3  LYS  36           2HB      LYS  36   9.193  -9.350  -6.761
  275    HG2  LYS  36           1HG      LYS  36   8.808  -7.408  -5.621
  276    HG3  LYS  36           2HG      LYS  36  10.536  -7.245  -5.957
  277    HD2  LYS  36           1HD      LYS  36   9.962  -5.774  -7.913
  278    HD3  LYS  36           2HD      LYS  36   8.251  -5.963  -7.545
  279    HE2  LYS  36           1HE      LYS  36   8.509  -4.789  -5.441
  280    HE3  LYS  36           2HE      LYS  36  10.276  -4.847  -5.571
  281    HZ1  LYS  36           3HZ      LYS  36  10.153  -3.455  -7.527
  282    HZ2  LYS  36           1HZ      LYS  36   9.460  -2.673  -6.295
  283    HZ3  LYS  36           2HZ      LYS  36   8.509  -3.360  -7.444
  284    HA   PRO  37           HA       PRO  37  10.879 -12.511 -10.205
  285    HB2  PRO  37           1HB      PRO  37  10.762 -14.595  -8.377
  286    HB3  PRO  37           2HB      PRO  37  12.248 -13.812  -8.957
  287    HG2  PRO  37           1HG      PRO  37  10.758 -13.331  -6.380
  288    HG3  PRO  37           2HG      PRO  37  12.522 -13.425  -6.640
  289    HD2  PRO  37           1HD      PRO  37  11.157 -11.050  -6.407
  290    HD3  PRO  37           2HD      PRO  37  12.609 -11.222  -7.407
  291    H    TYR  38           H        TYR  38   8.794 -12.321  -7.290
  292    HA   TYR  38           HA       TYR  38   6.688 -13.826  -8.686
  293    HB2  TYR  38           1HB      TYR  38   6.873 -12.951  -5.800
  294    HB3  TYR  38           2HB      TYR  38   5.600 -13.952  -6.481
  295    HD1  TYR  38           1HD      TYR  38   6.250 -16.242  -7.523
  296    HD2  TYR  38           2HD      TYR  38   8.915 -13.885  -5.121
  297    HE1  TYR  38           1HE      TYR  38   7.731 -18.223  -7.197
  298    HE2  TYR  38           2HE      TYR  38  10.386 -15.825  -4.759
  299    HH   TYR  38           HH       TYR  38  10.725 -18.075  -5.228
  300    H    LYS  39           H        LYS  39   5.272 -12.811  -9.818
  301    HA   LYS  39           HA       LYS  39   4.294 -10.043  -9.255
  302    HB2  LYS  39           1HB      LYS  39   5.303 -11.351 -11.796
  303    HB3  LYS  39           2HB      LYS  39   4.308  -9.894 -11.805
  304    HG2  LYS  39           1HG      LYS  39   5.901  -8.625 -10.585
  305    HG3  LYS  39           2HG      LYS  39   6.877 -10.034 -10.170
  306    HD2  LYS  39           1HD      LYS  39   6.495  -8.990 -13.002
  307    HD3  LYS  39           2HD      LYS  39   7.829  -8.568 -11.910
  308    HE2  LYS  39           1HE      LYS  39   8.426 -10.994 -11.724
  309    HE3  LYS  39           2HE      LYS  39   7.162 -11.379 -12.898
  310    HZ1  LYS  39           3HZ      LYS  39   9.528  -9.661 -13.426
  311    HZ2  LYS  39           1HZ      LYS  39   8.355  -9.988 -14.519
  312    HZ3  LYS  39           2HZ      LYS  39   9.322 -11.184 -13.974
  313    H    CYS  40           H        CYS  40   2.142  -9.660  -9.744
  314    HA   CYS  40           HA       CYS  40   0.358 -11.921  -9.749
  315    HB2  CYS  40           1HB      CYS  40  -0.056  -9.910  -8.495
  316    HB3  CYS  40           2HB      CYS  40  -0.123  -8.947  -9.981
  317    HA   PRO  41           HA       PRO  41  -0.212 -12.065 -14.252
  318    HB2  PRO  41           1HB      PRO  41  -2.139 -13.974 -14.409
  319    HB3  PRO  41           2HB      PRO  41  -0.459 -14.354 -13.924
  320    HG2  PRO  41           1HG      PRO  41  -2.851 -13.880 -12.115
  321    HG3  PRO  41           2HG      PRO  41  -1.674 -15.229 -12.061
  322    HD2  PRO  41           1HD      PRO  41  -1.458 -12.991 -10.485
  323    HD3  PRO  41           2HD      PRO  41  -0.025 -13.873 -11.087
  324    H    GLN  42           H        GLN  42  -2.447 -10.867 -11.909
  325    HA   GLN  42           HA       GLN  42  -4.416 -10.051 -14.019
  326    HB2  GLN  42           1HB      GLN  42  -4.814 -10.757 -11.096
  327    HB3  GLN  42           2HB      GLN  42  -6.039  -9.967 -12.096
  328    HG2  GLN  42           1HG      GLN  42  -5.927 -11.868 -13.716
  329    HG3  GLN  42           2HG      GLN  42  -4.800 -12.697 -12.642
  330   HE21  GLN  42          1HE2      GLN  42  -5.625 -13.595 -10.623
  331   HE22  GLN  42          2HE2      GLN  42  -7.360 -13.736 -10.378
  332    H    CYS  43           H        CYS  43  -2.327  -8.670 -11.454
  333    HA   CYS  43           HA       CYS  43  -3.144  -6.018 -12.471
  334    HB2  CYS  43           1HB      CYS  43  -3.577  -5.118 -10.290
  335    HB3  CYS  43           2HB      CYS  43  -4.630  -6.495 -10.567
  336    H    SER  44           H        SER  44  -1.753  -4.321 -11.074
  337    HA   SER  44           HA       SER  44   0.956  -4.685 -11.957
  338    HB2  SER  44           1HB      SER  44  -0.194  -2.532 -10.146
  339    HB3  SER  44           2HB      SER  44   1.325  -2.450 -11.058
  340    HG   SER  44           HG       SER  44  -0.396  -1.387 -12.148
  341    H    TYR  45           H        TYR  45  -0.397  -6.008  -9.226
  342    HA   TYR  45           HA       TYR  45   1.420  -5.447  -7.132
  343    HB2  TYR  45           1HB      TYR  45  -0.780  -6.392  -6.798
  344    HB3  TYR  45           2HB      TYR  45  -0.374  -7.812  -7.752
  345    HD1  TYR  45           1HD      TYR  45   1.196  -9.557  -6.792
  346    HD2  TYR  45           2HD      TYR  45  -0.091  -6.140  -4.486
  347    HE1  TYR  45           1HE      TYR  45   1.932 -10.686  -4.707
  348    HE2  TYR  45           2HE      TYR  45   0.647  -7.280  -2.401
  349    HH   TYR  45           HH       TYR  45   1.550  -9.173  -1.485
  350    H    ALA  46           H        ALA  46   3.202  -6.367  -6.385
  351    HA   ALA  46           HA       ALA  46   4.169  -8.946  -7.296
  352    HB1  ALA  46           1HB      ALA  46   5.197  -7.326  -8.925
  353    HB2  ALA  46           2HB      ALA  46   6.009  -6.536  -7.560
  354    HB3  ALA  46           3HB      ALA  46   6.370  -8.239  -7.966
  355    H    SER  47           H        SER  47   5.636  -9.904  -5.806
  356    HA   SER  47           HA       SER  47   5.563  -8.628  -3.076
  357    HB2  SER  47           1HB      SER  47   5.094 -10.867  -2.249
  358    HB3  SER  47           2HB      SER  47   3.894 -10.412  -3.477
  359    HG   SER  47           HG       SER  47   4.901 -12.587  -3.657
  360    H    ALA  48           H        ALA  48   7.584 -10.492  -5.254
  361    HA   ALA  48           HA       ALA  48   9.583 -11.524  -5.095
  362    HB1  ALA  48           1HB      ALA  48  11.352 -10.706  -3.759
  363    HB2  ALA  48           2HB      ALA  48  10.444  -9.316  -4.399
  364    HB3  ALA  48           3HB      ALA  48  10.245  -9.822  -2.697
  365    H    ILE  49           H        ILE  49   7.159 -12.307  -3.202
  366    HA   ILE  49           HA       ILE  49   8.573 -14.598  -1.965
  367    HB   ILE  49           HB       ILE  49   6.497 -12.984  -0.436
  368   HG12  ILE  49          1HG1      ILE  49   9.521 -13.056  -0.060
  369   HG13  ILE  49          2HG1      ILE  49   8.551 -11.658  -0.526
  370   HG21  ILE  49          1HG2      ILE  49   6.598 -15.465   0.023
  371   HG22  ILE  49          2HG2      ILE  49   8.318 -15.277   0.430
  372   HG23  ILE  49          3HG2      ILE  49   7.053 -14.504   1.411
  373   HD11  ILE  49          3HD1      ILE  49   7.359 -11.799   1.685
  374   HD12  ILE  49          1HD1      ILE  49   8.561 -13.021   2.176
  375   HD13  ILE  49          2HD1      ILE  49   9.085 -11.383   1.766
  376    H    LYS  50           H        LYS  50   7.663 -16.392  -2.607
  377    HA   LYS  50           HA       LYS  50   5.428 -16.575  -4.323
  378    HB2  LYS  50           1HB      LYS  50   7.364 -18.179  -4.064
  379    HB3  LYS  50           2HB      LYS  50   6.607 -18.801  -2.599
  380    HG2  LYS  50           1HG      LYS  50   4.580 -19.418  -3.961
  381    HG3  LYS  50           2HG      LYS  50   5.418 -18.862  -5.414
  382    HD2  LYS  50           1HD      LYS  50   6.351 -21.109  -3.569
  383    HD3  LYS  50           2HD      LYS  50   5.492 -21.331  -5.098
  384    HE2  LYS  50           1HE      LYS  50   7.348 -20.240  -6.322
  385    HE3  LYS  50           2HE      LYS  50   8.225 -20.000  -4.805
  386    HZ1  LYS  50           3HZ      LYS  50   7.500 -22.644  -5.953
  387    HZ2  LYS  50           1HZ      LYS  50   8.304 -22.423  -4.546
  388    HZ3  LYS  50           2HZ      LYS  50   8.993 -21.985  -5.956
  389    H    ALA  51           H        ALA  51   5.576 -17.357  -0.841
  390    HA   ALA  51           HA       ALA  51   2.886 -18.198  -0.527
  391    HB1  ALA  51           1HB      ALA  51   4.704 -18.641   1.083
  392    HB2  ALA  51           2HB      ALA  51   4.793 -16.908   1.481
  393    HB3  ALA  51           3HB      ALA  51   3.335 -17.843   1.876
  394    H    ASN  52           H        ASN  52   4.272 -14.903  -0.414
  395    HA   ASN  52           HA       ASN  52   1.846 -13.664   0.577
  396    HB2  ASN  52           1HB      ASN  52   4.247 -12.831   0.805
  397    HB3  ASN  52           2HB      ASN  52   4.173 -12.372  -0.897
  398   HD21  ASN  52          1HD2      ASN  52   4.750 -10.251   0.289
  399   HD22  ASN  52          2HD2      ASN  52   3.384  -9.278   0.804
  400    H    LEU  53           H        LEU  53   3.236 -14.154  -2.712
  401    HA   LEU  53           HA       LEU  53   1.098 -12.872  -4.127
  402    HB2  LEU  53           1HB      LEU  53   3.257 -13.339  -5.157
  403    HB3  LEU  53           2HB      LEU  53   3.029 -15.075  -4.940
  404    HG   LEU  53           HG       LEU  53   1.126 -15.044  -6.528
  405   HD11  LEU  53          1HD1      LEU  53   0.696 -13.058  -7.913
  406   HD12  LEU  53          2HD1      LEU  53   1.832 -12.101  -6.934
  407   HD13  LEU  53          3HD1      LEU  53   0.320 -12.719  -6.227
  408   HD21  LEU  53          3HD2      LEU  53   2.417 -14.668  -8.551
  409   HD22  LEU  53          1HD2      LEU  53   3.442 -15.432  -7.321
  410   HD23  LEU  53          2HD2      LEU  53   3.596 -13.690  -7.657
  411    H    ASN  54           H        ASN  54   1.501 -16.250  -2.996
  412    HA   ASN  54           HA       ASN  54  -0.839 -17.345  -4.149
  413    HB2  ASN  54           1HB      ASN  54   1.143 -18.496  -3.009
  414    HB3  ASN  54           2HB      ASN  54   0.400 -18.083  -1.464
  415   HD21  ASN  54          1HD2      ASN  54   0.456 -20.433  -1.101
  416   HD22  ASN  54          2HD2      ASN  54  -0.788 -21.430  -1.834
  417    H    VAL  55           H        VAL  55  -0.487 -15.501  -1.102
  418    HA   VAL  55           HA       VAL  55  -3.343 -15.686  -0.435
  419    HB   VAL  55           HB       VAL  55  -1.115 -13.992   0.705
  420   HG11  VAL  55          1HG1      VAL  55  -2.642 -13.639   2.647
  421   HG12  VAL  55          2HG1      VAL  55  -3.234 -12.856   1.183
  422   HG13  VAL  55          3HG1      VAL  55  -3.963 -14.387   1.721
  423   HG21  VAL  55          3HG2      VAL  55  -1.236 -15.563   2.600
  424   HG22  VAL  55          1HG2      VAL  55  -2.514 -16.484   1.770
  425   HG23  VAL  55          2HG2      VAL  55  -0.868 -16.427   1.108
  426    H    HIS  56           H        HIS  56  -1.282 -13.285  -2.106
  427    HA   HIS  56           HA       HIS  56  -3.285 -11.263  -2.362
  428    HB2  HIS  56           1HB      HIS  56  -0.969 -10.779  -2.835
  429    HB3  HIS  56           2HB      HIS  56  -0.921 -11.987  -4.123
  430    HD1  HIS  56           1HD      HIS  56  -2.626  -8.587  -3.426
  431    HD2  HIS  56           2HD      HIS  56  -1.755 -11.303  -6.512
  432    HE1  HIS  56           1HE      HIS  56  -3.464  -7.501  -5.551
  433    H    LEU  57           H        LEU  57  -2.639 -14.089  -4.505
  434    HA   LEU  57           HA       LEU  57  -4.571 -13.459  -6.501
  435    HB2  LEU  57           1HB      LEU  57  -3.498 -16.056  -5.419
  436    HB3  LEU  57           2HB      LEU  57  -4.571 -16.014  -6.810
  437    HG   LEU  57           HG       LEU  57  -1.939 -14.470  -6.760
  438   HD11  LEU  57          1HD1      LEU  57  -1.509 -16.857  -6.384
  439   HD12  LEU  57          2HD1      LEU  57  -0.981 -16.355  -8.002
  440   HD13  LEU  57          3HD1      LEU  57  -2.500 -17.269  -7.804
  441   HD21  LEU  57          3HD2      LEU  57  -2.186 -14.668  -9.225
  442   HD22  LEU  57          1HD2      LEU  57  -3.496 -13.729  -8.497
  443   HD23  LEU  57          2HD2      LEU  57  -3.778 -15.414  -9.004
  444    H    ARG  58           H        ARG  58  -5.027 -14.963  -3.339
  445    HA   ARG  58           HA       ARG  58  -7.825 -15.653  -3.655
  446    HB2  ARG  58           1HB      ARG  58  -6.141 -15.130  -1.173
  447    HB3  ARG  58           2HB      ARG  58  -7.797 -15.715  -1.128
  448    HG2  ARG  58           1HG      ARG  58  -7.261 -17.760  -2.197
  449    HG3  ARG  58           2HG      ARG  58  -5.653 -17.206  -2.680
  450    HD2  ARG  58           1HD      ARG  58  -4.842 -17.229  -0.408
  451    HD3  ARG  58           2HD      ARG  58  -6.474 -17.413   0.235
  452    HE   ARG  58           HE       ARG  58  -6.313 -19.677  -0.008
  453   HH11  ARG  58          2HH1      ARG  58  -3.916 -18.352  -2.219
  454   HH12  ARG  58          1HH1      ARG  58  -3.334 -19.917  -2.669
  455   HH21  ARG  58          2HH2      ARG  58  -5.526 -21.654  -0.643
  456   HH22  ARG  58          1HH2      ARG  58  -4.253 -21.741  -1.825
  457    H    LYS  59           H        LYS  59  -6.431 -12.545  -3.474
  458    HA   LYS  59           HA       LYS  59  -8.896 -11.237  -2.469
  459    HB2  LYS  59           1HB      LYS  59  -6.406  -9.942  -3.647
  460    HB3  LYS  59           2HB      LYS  59  -7.709  -9.158  -2.760
  461    HG2  LYS  59           1HG      LYS  59  -7.120 -10.506  -0.735
  462    HG3  LYS  59           2HG      LYS  59  -5.740 -11.187  -1.620
  463    HD2  LYS  59           1HD      LYS  59  -4.823  -8.914  -1.957
  464    HD3  LYS  59           2HD      LYS  59  -6.150  -8.226  -1.014
  465    HE2  LYS  59           1HE      LYS  59  -4.143 -10.286   0.027
  466    HE3  LYS  59           2HE      LYS  59  -3.983  -8.541   0.247
  467    HZ1  LYS  59           3HZ      LYS  59  -6.090  -8.563   1.477
  468    HZ2  LYS  59           1HZ      LYS  59  -5.001  -9.544   2.188
  469    HZ3  LYS  59           2HZ      LYS  59  -6.218 -10.186   1.313
  470    H    HIS  60           H        HIS  60  -7.689 -12.323  -5.517
  471    HA   HIS  60           HA       HIS  60  -9.347 -10.485  -7.118
  472    HB2  HIS  60           1HB      HIS  60  -7.523 -12.800  -7.846
  473    HB3  HIS  60           2HB      HIS  60  -8.541 -11.958  -9.011
  474    HD1  HIS  60           1HD      HIS  60  -8.136  -9.155  -9.048
  475    HD2  HIS  60           2HD      HIS  60  -5.111 -11.719  -7.624
  476    HE1  HIS  60           1HE      HIS  60  -5.999  -7.808  -9.159
  477    H    THR  61           H        THR  61 -11.203 -11.123  -5.724
  478    HA   THR  61           HA       THR  61 -12.768 -13.376  -6.919
  479    HB   THR  61           HB       THR  61 -13.740 -13.757  -4.644
  480    HG1  THR  61           1HG      THR  61 -13.179 -11.883  -3.581
  481   HG21  THR  61          3HG2      THR  61 -11.955 -15.232  -5.519
  482   HG22  THR  61          1HG2      THR  61 -11.885 -15.057  -3.757
  483   HG23  THR  61          2HG2      THR  61 -10.727 -14.183  -4.778
  484    H    GLY  62           H        GLY  62 -15.103 -13.204  -6.588
  485    HA2  GLY  62           1HA      GLY  62 -17.099 -11.934  -6.191
  486    HA3  GLY  62           2HA      GLY  62 -16.185 -10.436  -6.287
  487    H    GLU  63           H        GLU  63 -18.123  -9.980  -7.700
  488    HA   GLU  63           HA       GLU  63 -18.390 -11.299 -10.250
  489    HB2  GLU  63           1HB      GLU  63 -20.285 -10.379  -9.010
  490    HB3  GLU  63           2HB      GLU  63 -19.647  -8.739  -9.197
  491    HG2  GLU  63           1HG      GLU  63 -19.931  -8.856 -11.625
  492    HG3  GLU  63           2HG      GLU  63 -20.347 -10.570 -11.532
  493    H    LYS  64           H        LYS  64 -17.218 -11.041 -11.941
  494    HA   LYS  64           HA       LYS  64 -15.603  -8.610 -12.444
  495    HB2  LYS  64           1HB      LYS  64 -15.624 -11.411 -13.610
  496    HB3  LYS  64           2HB      LYS  64 -14.852 -10.078 -14.469
  497    HG2  LYS  64           1HG      LYS  64 -13.440  -9.582 -12.508
  498    HG3  LYS  64           2HG      LYS  64 -14.128 -10.982 -11.653
  499    HD2  LYS  64           1HD      LYS  64 -13.218 -12.513 -13.314
  500    HD3  LYS  64           2HD      LYS  64 -12.776 -11.171 -14.376
  501    HE2  LYS  64           1HE      LYS  64 -11.280 -10.337 -12.434
  502    HE3  LYS  64           2HE      LYS  64 -11.512 -11.943 -11.724
  503    HZ1  LYS  64           3HZ      LYS  64 -10.349 -11.340 -14.396
  504    HZ2  LYS  64           1HZ      LYS  64 -10.615 -12.861 -13.838
  505    HZ3  LYS  64           2HZ      LYS  64  -9.523 -11.907 -13.086
  506    H    PHE  65           H        PHE  65 -15.565  -7.484 -14.268
  507    HA   PHE  65           HA       PHE  65 -17.797  -7.652 -16.239
  508    HB2  PHE  65           1HB      PHE  65 -16.313  -5.165 -15.290
  509    HB3  PHE  65           2HB      PHE  65 -17.596  -5.227 -16.490
  510    HD1  PHE  65           1HD      PHE  65 -16.827  -5.504 -12.880
  511    HD2  PHE  65           2HD      PHE  65 -19.949  -5.464 -15.849
  512    HE1  PHE  65           1HE      PHE  65 -18.521  -5.200 -11.088
  513    HE2  PHE  65           2HE      PHE  65 -21.645  -5.179 -14.057
  514    HZ   PHE  65           HZ       PHE  65 -20.934  -5.034 -11.676
  515    H    ALA  66           H        ALA  66 -17.125  -7.455 -18.432
  516    HA   ALA  66           HA       ALA  66 -14.192  -7.839 -18.879
  517    HB1  ALA  66           1HB      ALA  66 -15.449  -9.973 -18.796
  518    HB2  ALA  66           2HB      ALA  66 -16.497  -9.393 -20.109
  519    HB3  ALA  66           3HB      ALA  66 -14.765  -9.652 -20.403
  520    H    CYS  67           H        CYS  67 -13.260  -7.144 -20.710
  521    HA   CYS  67           HA       CYS  67 -14.419  -4.920 -22.109
  522    HB2  CYS  67           1HB      CYS  67 -12.061  -5.215 -21.436
  523    HB3  CYS  67           2HB      CYS  67 -11.887  -6.514 -22.626
  524    H    ASP  68           H        ASP  68 -14.996  -4.660 -24.180
  525    HA   ASP  68           HA       ASP  68 -15.986  -7.036 -25.673
  526    HB2  ASP  68           1HB      ASP  68 -17.490  -5.091 -25.117
  527    HB3  ASP  68           2HB      ASP  68 -16.492  -4.079 -26.162
  528    H    TYR  69           H        TYR  69 -13.264  -5.044 -25.605
  529    HA   TYR  69           HA       TYR  69 -12.701  -5.292 -28.538
  530    HB2  TYR  69           1HB      TYR  69 -11.725  -3.259 -26.530
  531    HB3  TYR  69           2HB      TYR  69 -11.381  -3.256 -28.253
  532    HD1  TYR  69           1HD      TYR  69 -13.263  -2.821 -29.894
  533    HD2  TYR  69           2HD      TYR  69 -13.731  -2.335 -25.631
  534    HE1  TYR  69           1HE      TYR  69 -15.288  -1.415 -30.271
  535    HE2  TYR  69           2HE      TYR  69 -15.752  -0.931 -26.011
  536    HH   TYR  69           HH       TYR  69 -17.165  -0.003 -27.561
  537    H    CYS  70           H        CYS  70 -11.521  -6.204 -25.389
  538    HA   CYS  70           HA       CYS  70  -9.384  -7.756 -26.627
  539    HB2  CYS  70           1HB      CYS  70  -7.582  -6.984 -25.276
  540    HB3  CYS  70           2HB      CYS  70  -8.268  -5.614 -26.126
  541    H    SER  71           H        SER  71  -8.139  -8.696 -24.341
  542    HA   SER  71           HA       SER  71 -10.185 -10.510 -23.256
  543    HB2  SER  71           1HB      SER  71  -8.224 -11.788 -22.450
  544    HB3  SER  71           2HB      SER  71  -8.191 -11.478 -24.193
  545    HG   SER  71           HG       SER  71  -6.156 -11.067 -23.190
  546    H    PHE  72           H        PHE  72  -9.185  -7.542 -22.199
  547    HA   PHE  72           HA       PHE  72  -8.404  -7.921 -19.515
  548    HB2  PHE  72           1HB      PHE  72  -8.096  -5.860 -20.769
  549    HB3  PHE  72           2HB      PHE  72  -9.833  -5.625 -20.882
  550    HD1  PHE  72           1HD      PHE  72  -6.960  -5.676 -18.496
  551    HD2  PHE  72           2HD      PHE  72 -11.069  -4.533 -19.155
  552    HE1  PHE  72           1HE      PHE  72  -6.923  -4.320 -16.412
  553    HE2  PHE  72           2HE      PHE  72 -11.016  -3.160 -17.089
  554    HZ   PHE  72           HZ       PHE  72  -8.948  -3.065 -15.709
  555    H    THR  73           H        THR  73  -9.393  -7.874 -17.545
  556    HA   THR  73           HA       THR  73 -12.308  -7.559 -17.331
  557    HB   THR  73           HB       THR  73 -12.549  -9.373 -15.711
  558    HG1  THR  73           1HG      THR  73  -9.975 -10.170 -16.595
  559   HG21  THR  73          3HG2      THR  73 -12.588 -11.273 -17.218
  560   HG22  THR  73          1HG2      THR  73 -11.511 -10.443 -18.365
  561   HG23  THR  73          2HG2      THR  73 -13.146  -9.820 -18.063
  562    H    CYS  74           H        CYS  74 -13.053  -6.758 -15.392
  563    HA   CYS  74           HA       CYS  74 -11.173  -6.182 -13.184
  564    HB2  CYS  74           1HB      CYS  74 -11.809  -3.752 -13.209
  565    HB3  CYS  74           2HB      CYS  74 -10.867  -4.268 -14.606
  566    HG   CYS  74           HG       CYS  74 -14.117  -3.590 -14.351
  567    H    LEU  75           H        LEU  75 -12.336  -5.201 -11.279
  568    HA   LEU  75           HA       LEU  75 -14.850  -6.703 -10.862
  569    HB2  LEU  75           1HB      LEU  75 -12.925  -5.383  -8.922
  570    HB3  LEU  75           2HB      LEU  75 -14.354  -6.294  -8.448
  571    HG   LEU  75           HG       LEU  75 -12.018  -7.484 -10.004
  572   HD11  LEU  75          1HD1      LEU  75 -11.447  -8.598  -7.891
  573   HD12  LEU  75          2HD1      LEU  75 -12.759  -7.734  -7.063
  574   HD13  LEU  75          3HD1      LEU  75 -11.371  -6.836  -7.716
  575   HD21  LEU  75          3HD2      LEU  75 -14.137  -8.704 -10.392
  576   HD22  LEU  75          1HD2      LEU  75 -14.404  -8.811  -8.643
  577   HD23  LEU  75          2HD2      LEU  75 -13.034  -9.654  -9.393
  578    H    SER  76           H        SER  76 -14.579  -3.861 -12.166
  579    HA   SER  76           HA       SER  76 -17.145  -2.923 -11.060
  580    HB2  SER  76           1HB      SER  76 -15.652  -1.639  -9.695
  581    HB3  SER  76           2HB      SER  76 -14.630  -1.225 -11.082
  582    HG   SER  76           HG       SER  76 -16.222   0.408 -10.342
  583    H    LYS  77           H        LYS  77 -18.450  -2.050 -12.578
  584    HA   LYS  77           HA       LYS  77 -17.708  -1.986 -15.381
  585    HB2  LYS  77           1HB      LYS  77 -19.943  -1.115 -15.764
  586    HB3  LYS  77           2HB      LYS  77 -19.966  -2.520 -14.703
  587    HG2  LYS  77           1HG      LYS  77 -20.282  -1.042 -12.726
  588    HG3  LYS  77           2HG      LYS  77 -20.179   0.380 -13.769
  589    HD2  LYS  77           1HD      LYS  77 -22.488  -0.048 -13.255
  590    HD3  LYS  77           2HD      LYS  77 -22.218  -0.347 -14.978
  591    HE2  LYS  77           1HE      LYS  77 -22.118  -2.788 -14.547
  592    HE3  LYS  77           2HE      LYS  77 -22.318  -2.501 -12.812
  593    HZ1  LYS  77           3HZ      LYS  77 -24.432  -3.072 -13.866
  594    HZ2  LYS  77           1HZ      LYS  77 -24.325  -1.812 -14.897
  595    HZ3  LYS  77           2HZ      LYS  77 -24.511  -1.548 -13.294
  596    H    GLY  78           H        GLY  78 -17.524   0.393 -12.831
  597    HA2  GLY  78           1HA      GLY  78 -17.188   2.749 -14.518
  598    HA3  GLY  78           2HA      GLY  78 -16.713   2.565 -12.822
  599    H    HIS  79           H        HIS  79 -14.955   0.402 -12.952
  600    HA   HIS  79           HA       HIS  79 -12.527   1.499 -14.034
  601    HB2  HIS  79           1HB      HIS  79 -12.774  -0.098 -12.101
  602    HB3  HIS  79           2HB      HIS  79 -13.063  -1.389 -13.266
  603    HD1  HIS  79           1HD      HIS  79 -10.641  -0.308 -15.308
  604    HD2  HIS  79           2HD      HIS  79 -10.509  -1.026 -11.167
  605    HE1  HIS  79           1HE      HIS  79  -8.185  -0.734 -14.733
  606    H    LEU  80           H        LEU  80 -14.865  -0.907 -15.322
  607    HA   LEU  80           HA       LEU  80 -13.372  -1.530 -17.656
  608    HB2  LEU  80           1HB      LEU  80 -15.321  -2.851 -16.783
  609    HB3  LEU  80           2HB      LEU  80 -16.396  -1.554 -17.294
  610    HG   LEU  80           HG       LEU  80 -15.729  -1.892 -19.650
  611   HD11  LEU  80          1HD1      LEU  80 -14.451  -3.948 -20.247
  612   HD12  LEU  80          2HD1      LEU  80 -14.043  -4.181 -18.535
  613   HD13  LEU  80          3HD1      LEU  80 -13.451  -2.759 -19.433
  614   HD21  LEU  80          3HD2      LEU  80 -17.641  -3.145 -18.633
  615   HD22  LEU  80          1HD2      LEU  80 -16.533  -4.512 -18.356
  616   HD23  LEU  80          2HD2      LEU  80 -16.885  -3.967 -20.007
  617    H    LYS  81           H        LYS  81 -15.878   1.007 -17.141
  618    HA   LYS  81           HA       LYS  81 -15.813   2.106 -19.774
  619    HB2  LYS  81           1HB      LYS  81 -17.504   2.631 -18.026
  620    HB3  LYS  81           2HB      LYS  81 -16.290   3.551 -17.126
  621    HG2  LYS  81           1HG      LYS  81 -16.042   5.114 -19.037
  622    HG3  LYS  81           2HG      LYS  81 -17.210   4.160 -19.974
  623    HD2  LYS  81           1HD      LYS  81 -18.964   4.653 -18.286
  624    HD3  LYS  81           2HD      LYS  81 -17.789   5.598 -17.343
  625    HE2  LYS  81           1HE      LYS  81 -17.469   7.128 -19.276
  626    HE3  LYS  81           2HE      LYS  81 -18.633   6.187 -20.218
  627    HZ1  LYS  81           3HZ      LYS  81 -19.681   8.132 -19.211
  628    HZ2  LYS  81           1HZ      LYS  81 -19.266   7.651 -17.708
  629    HZ3  LYS  81           2HZ      LYS  81 -20.341   6.781 -18.580
  630    H    VAL  82           H        VAL  82 -13.817   2.971 -16.917
  631    HA   VAL  82           HA       VAL  82 -12.167   4.902 -18.236
  632    HB   VAL  82           HB       VAL  82 -11.651   3.098 -15.841
  633   HG11  VAL  82          1HG1      VAL  82  -9.814   4.670 -15.243
  634   HG12  VAL  82          2HG1      VAL  82  -9.447   3.724 -16.684
  635   HG13  VAL  82          3HG1      VAL  82  -9.960   5.425 -16.847
  636   HG21  VAL  82          3HG2      VAL  82 -12.060   5.148 -14.558
  637   HG22  VAL  82          1HG2      VAL  82 -12.271   6.080 -16.057
  638   HG23  VAL  82          2HG2      VAL  82 -13.445   4.833 -15.605
  639    H    HIS  83           H        HIS  83 -11.694   1.326 -17.964
  640    HA   HIS  83           HA       HIS  83  -9.248   1.217 -19.423
  641    HB2  HIS  83           1HB      HIS  83  -9.988  -0.705 -18.205
  642    HB3  HIS  83           2HB      HIS  83 -11.520  -0.767 -19.066
  643    HD1  HIS  83           1HD      HIS  83  -7.816  -1.609 -19.637
  644    HD2  HIS  83           2HD      HIS  83 -11.600  -1.987 -21.421
  645    HE1  HIS  83           1HE      HIS  83  -7.490  -3.149 -21.626
  646    H    ILE  84           H        ILE  84 -12.639   1.032 -20.677
  647    HA   ILE  84           HA       ILE  84 -11.824   0.726 -23.409
  648    HB   ILE  84           HB       ILE  84 -14.441   1.654 -22.193
  649   HG12  ILE  84          1HG1      ILE  84 -13.676  -1.001 -23.512
  650   HG13  ILE  84          2HG1      ILE  84 -13.600  -0.741 -21.779
  651   HG21  ILE  84          1HG2      ILE  84 -13.830   0.915 -25.101
  652   HG22  ILE  84          2HG2      ILE  84 -15.448   1.219 -24.433
  653   HG23  ILE  84          3HG2      ILE  84 -14.288   2.530 -24.506
  654   HD11  ILE  84          3HD1      ILE  84 -16.127  -0.679 -23.460
  655   HD12  ILE  84          1HD1      ILE  84 -15.640  -1.886 -22.264
  656   HD13  ILE  84          2HD1      ILE  84 -16.042  -0.240 -21.736
  657    H    GLU  85           H        GLU  85 -12.712   3.699 -21.598
  658    HA   GLU  85           HA       GLU  85 -12.327   5.489 -23.793
  659    HB2  GLU  85           1HB      GLU  85 -12.124   5.895 -20.790
  660    HB3  GLU  85           2HB      GLU  85 -12.054   7.210 -21.948
  661    HG2  GLU  85           1HG      GLU  85 -14.416   5.320 -21.554
  662    HG3  GLU  85           2HG      GLU  85 -14.298   6.965 -20.958
  663    H    ARG  86           H        ARG  86  -9.953   4.292 -21.380
  664    HA   ARG  86           HA       ARG  86  -7.816   6.008 -22.387
  665    HB2  ARG  86           1HB      ARG  86  -7.886   3.774 -20.373
  666    HB3  ARG  86           2HB      ARG  86  -6.395   4.598 -20.863
  667    HG2  ARG  86           1HG      ARG  86  -7.325   6.795 -20.237
  668    HG3  ARG  86           2HG      ARG  86  -8.873   6.046 -19.818
  669    HD2  ARG  86           1HD      ARG  86  -7.704   6.417 -17.804
  670    HD3  ARG  86           2HD      ARG  86  -7.726   4.667 -18.128
  671    HE   ARG  86           HE       ARG  86  -5.311   5.880 -19.145
  672   HH11  ARG  86          2HH1      ARG  86  -6.688   4.901 -16.079
  673   HH12  ARG  86          1HH1      ARG  86  -5.125   4.649 -15.353
  674   HH21  ARG  86          2HH2      ARG  86  -3.348   5.533 -18.160
  675   HH22  ARG  86          1HH2      ARG  86  -3.288   5.007 -16.504
  676    H    VAL  87           H        VAL  87  -8.587   2.552 -22.822
  677    HA   VAL  87           HA       VAL  87  -6.090   2.166 -24.365
  678    HB   VAL  87           HB       VAL  87  -8.110   0.114 -23.404
  679   HG11  VAL  87          1HG1      VAL  87  -6.760  -0.773 -25.250
  680   HG12  VAL  87          2HG1      VAL  87  -5.270  -0.205 -24.461
  681   HG13  VAL  87          3HG1      VAL  87  -6.247  -1.495 -23.726
  682   HG21  VAL  87          3HG2      VAL  87  -5.448   1.030 -22.211
  683   HG22  VAL  87          1HG2      VAL  87  -7.053   1.245 -21.479
  684   HG23  VAL  87          2HG2      VAL  87  -6.384  -0.374 -21.660
  685    H    HIS  88           H        HIS  88  -9.607   2.046 -24.999
  686    HA   HIS  88           HA       HIS  88  -9.000   1.128 -27.779
  687    HB2  HIS  88           1HB      HIS  88 -11.527   0.846 -26.141
  688    HB3  HIS  88           2HB      HIS  88 -11.280   0.250 -27.784
  689    HD1  HIS  88           1HD      HIS  88  -8.907  -1.473 -27.895
  690    HD2  HIS  88           2HD      HIS  88 -11.044  -0.953 -24.320
  691    HE1  HIS  88           1HE      HIS  88  -8.265  -3.434 -26.412
  692    H    LYS  89           H        LYS  89 -10.928   3.631 -26.058
  693    HA   LYS  89           HA       LYS  89 -11.507   5.047 -28.592
  694    HB2  LYS  89           1HB      LYS  89 -11.592   6.187 -25.789
  695    HB3  LYS  89           2HB      LYS  89 -12.359   6.837 -27.217
  696    HG2  LYS  89           1HG      LYS  89 -13.146   4.223 -25.859
  697    HG3  LYS  89           2HG      LYS  89 -13.888   5.799 -25.628
  698    HD2  LYS  89           1HD      LYS  89 -14.538   5.847 -28.041
  699    HD3  LYS  89           2HD      LYS  89 -13.855   4.221 -28.220
  700    HE2  LYS  89           1HE      LYS  89 -16.246   4.016 -27.907
  701    HE3  LYS  89           2HE      LYS  89 -15.425   3.370 -26.485
  702    HZ1  LYS  89           3HZ      LYS  89 -15.937   5.466 -25.310
  703    HZ2  LYS  89           1HZ      LYS  89 -17.309   4.796 -25.882
  704    HZ3  LYS  89           2HZ      LYS  89 -16.653   6.075 -26.650
  705    H    LYS  90           H        LYS  90  -8.930   4.907 -26.311
  706    HA   LYS  90           HA       LYS  90  -6.919   5.928 -26.030
  707    HB2  LYS  90           1HB      LYS  90  -7.058   6.321 -29.039
  708    HB3  LYS  90           2HB      LYS  90  -5.602   6.358 -28.033
  709    HG2  LYS  90           1HG      LYS  90  -6.026   3.993 -27.359
  710    HG3  LYS  90           2HG      LYS  90  -7.421   3.945 -28.457
  711    HD2  LYS  90           1HD      LYS  90  -5.861   4.572 -30.347
  712    HD3  LYS  90           2HD      LYS  90  -4.504   4.363 -29.237
  713    HE2  LYS  90           1HE      LYS  90  -6.546   2.232 -30.037
  714    HE3  LYS  90           2HE      LYS  90  -4.905   2.379 -30.672
  715    HZ1  LYS  90           3HZ      LYS  90  -4.939   0.732 -28.943
  716    HZ2  LYS  90           1HZ      LYS  90  -5.638   1.735 -27.865
  717    HZ3  LYS  90           2HZ      LYS  90  -4.093   2.004 -28.369
  718    H    ILE  91           H        ILE  91  -8.734   7.513 -25.068
  719    HA   ILE  91           HA       ILE  91  -8.990  10.074 -26.163
  720    HB   ILE  91           HB       ILE  91 -10.439   9.066 -24.423
  721   HG12  ILE  91          1HG1      ILE  91 -10.887  11.087 -23.097
  722   HG13  ILE  91          2HG1      ILE  91  -9.369  11.806 -23.625
  723   HG21  ILE  91          1HG2      ILE  91  -8.611   8.207 -22.915
  724   HG22  ILE  91          2HG2      ILE  91  -8.318   9.873 -22.388
  725   HG23  ILE  91          3HG2      ILE  91  -9.885   9.102 -22.077
  726   HD11  ILE  91          3HD1      ILE  91 -10.194  11.906 -25.947
  727   HD12  ILE  91          1HD1      ILE  91 -11.665  11.016 -25.480
  728   HD13  ILE  91          2HD1      ILE  91 -11.370  12.651 -24.857
  729    H    LYS  92           H        LYS  92  -8.007  11.947 -25.974
  730    HA   LYS  92           HA       LYS  92  -5.391  12.280 -24.576
  731    HB2  LYS  92           1HB      LYS  92  -5.940  12.629 -27.548
  732    HB3  LYS  92           2HB      LYS  92  -4.562  13.370 -26.731
  733    HG2  LYS  92           1HG      LYS  92  -3.681  11.202 -26.060
  734    HG3  LYS  92           2HG      LYS  92  -5.061  10.360 -26.757
  735    HD2  LYS  92           1HD      LYS  92  -3.082  12.056 -28.330
  736    HD3  LYS  92           2HD      LYS  92  -2.997  10.304 -28.184
  737    HE2  LYS  92           1HE      LYS  92  -5.350  11.820 -29.408
  738    HE3  LYS  92           2HE      LYS  92  -4.011  11.142 -30.330
  739    HZ1  LYS  92           3HZ      LYS  92  -4.626   8.938 -29.530
  740    HZ2  LYS  92           1HZ      LYS  92  -5.898   9.627 -30.282
  741    HZ3  LYS  92           2HZ      LYS  92  -5.874   9.531 -28.651
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1 -18.420  15.229 -43.671
    2    H2   GLY   1           2H       GLY   1 -18.856  16.764 -43.306
    3    H3   GLY   1           3H       GLY   1 -20.005  15.614 -43.509
    4    HA2  GLY   1           1HA      GLY   1 -19.718  16.088 -41.168
    5    HA3  GLY   1           2HA      GLY   1 -19.269  14.419 -41.565
    6    H    SER   2           H        SER   2 -18.373  16.089 -39.316
    7    HA   SER   2           HA       SER   2 -15.709  17.046 -39.720
    8    HB2  SER   2           1HB      SER   2 -17.053  16.131 -37.150
    9    HB3  SER   2           2HB      SER   2 -15.594  17.134 -37.278
   10    HG   SER   2           HG       SER   2 -17.498  18.394 -36.962
   11    H    SER   3           H        SER   3 -13.700  16.203 -39.200
   12    HA   SER   3           HA       SER   3 -13.331  13.408 -39.708
   13    HB2  SER   3           1HB      SER   3 -11.296  15.471 -38.791
   14    HB3  SER   3           2HB      SER   3 -10.955  13.921 -39.581
   15    HG   SER   3           HG       SER   3 -10.933  15.675 -41.067
   16    H    GLY   4           H        GLY   4 -13.707  15.049 -36.681
   17    HA2  GLY   4           1HA      GLY   4 -13.648  14.269 -34.491
   18    HA3  GLY   4           2HA      GLY   4 -13.276  12.654 -35.085
   19    H    SER   5           H        SER   5 -11.921  12.753 -33.076
   20    HA   SER   5           HA       SER   5  -9.126  13.404 -33.744
   21    HB2  SER   5           1HB      SER   5  -8.734  14.591 -31.629
   22    HB3  SER   5           2HB      SER   5  -9.880  15.454 -32.662
   23    HG   SER   5           HG       SER   5 -10.587  15.370 -30.480
   24    H    SER   6           H        SER   6  -7.567  12.446 -32.298
   25    HA   SER   6           HA       SER   6  -8.416  10.478 -30.311
   26    HB2  SER   6           1HB      SER   6  -8.558   9.284 -32.552
   27    HB3  SER   6           2HB      SER   6  -6.805   9.508 -32.704
   28    HG   SER   6           HG       SER   6  -7.403   7.478 -31.753
   29    H    GLY   7           H        GLY   7  -6.560   9.557 -29.157
   30    HA2  GLY   7           1HA      GLY   7  -4.460  11.539 -28.645
   31    HA3  GLY   7           2HA      GLY   7  -4.727  10.026 -27.787
   32    H    LYS   8           H        LYS   8  -2.212  10.678 -28.190
   33    HA   LYS   8           HA       LYS   8  -1.042   9.388 -30.553
   34    HB2  LYS   8           1HB      LYS   8   1.091   9.843 -29.543
   35    HB3  LYS   8           2HB      LYS   8   0.096  11.287 -29.495
   36    HG2  LYS   8           1HG      LYS   8  -0.293  11.105 -27.149
   37    HG3  LYS   8           2HG      LYS   8   0.275   9.436 -27.083
   38    HD2  LYS   8           1HD      LYS   8   2.095  11.760 -27.814
   39    HD3  LYS   8           2HD      LYS   8   1.856  11.192 -26.154
   40    HE2  LYS   8           1HE      LYS   8   2.614   8.921 -26.788
   41    HE3  LYS   8           2HE      LYS   8   2.865   9.452 -28.453
   42    HZ1  LYS   8           3HZ      LYS   8   4.543  11.017 -27.641
   43    HZ2  LYS   8           1HZ      LYS   8   4.933   9.498 -27.195
   44    HZ3  LYS   8           2HZ      LYS   8   4.313  10.536 -26.096
   45    H    ILE   9           H        ILE   9   0.781   7.751 -30.068
   46    HA   ILE   9           HA       ILE   9  -0.398   5.439 -28.583
   47    HB   ILE   9           HB       ILE   9   1.265   5.459 -31.129
   48   HG12  ILE   9          1HG1      ILE   9  -1.685   4.786 -30.671
   49   HG13  ILE   9          2HG1      ILE   9  -1.087   6.244 -31.459
   50   HG21  ILE   9          1HG2      ILE   9   1.762   3.473 -29.786
   51   HG22  ILE   9          2HG2      ILE   9   0.018   3.147 -29.596
   52   HG23  ILE   9          3HG2      ILE   9   0.815   3.022 -31.182
   53   HD11  ILE   9          3HD1      ILE   9  -0.042   4.818 -33.244
   54   HD12  ILE   9          1HD1      ILE   9  -0.903   3.422 -32.544
   55   HD13  ILE   9          2HD1      ILE   9  -1.816   4.794 -33.179
   56    H    PHE  10           H        PHE  10   0.918   4.149 -27.364
   57    HA   PHE  10           HA       PHE  10   3.700   5.081 -26.757
   58    HB2  PHE  10           1HB      PHE  10   1.563   4.080 -24.833
   59    HB3  PHE  10           2HB      PHE  10   3.215   4.480 -24.410
   60    HD1  PHE  10           1HD      PHE  10  -0.049   5.891 -25.463
   61    HD2  PHE  10           2HD      PHE  10   3.950   6.772 -24.109
   62    HE1  PHE  10           1HE      PHE  10  -0.719   8.241 -25.018
   63    HE2  PHE  10           2HE      PHE  10   3.279   9.119 -23.658
   64    HZ   PHE  10           HZ       PHE  10   0.946   9.859 -24.111
   65    H    THR  11           H        THR  11   5.265   3.445 -26.436
   66    HA   THR  11           HA       THR  11   4.392   0.625 -26.888
   67    HB   THR  11           HB       THR  11   6.698   2.021 -28.281
   68    HG1  THR  11           1HG      THR  11   5.388   1.959 -30.091
   69   HG21  THR  11          3HG2      THR  11   7.016  -0.409 -28.102
   70   HG22  THR  11          1HG2      THR  11   6.634   0.035 -29.768
   71   HG23  THR  11          2HG2      THR  11   5.378  -0.687 -28.739
   72    H    CYS  12           H        CYS  12   5.453  -0.933 -25.813
   73    HA   CYS  12           HA       CYS  12   7.293  -0.302 -23.659
   74    HB2  CYS  12           1HB      CYS  12   5.569  -1.993 -23.466
   75    HB3  CYS  12           2HB      CYS  12   6.261  -2.907 -24.825
   76    H    GLU  13           H        GLU  13   9.431  -0.401 -23.596
   77    HA   GLU  13           HA       GLU  13  10.957  -0.893 -26.060
   78    HB2  GLU  13           1HB      GLU  13  12.829   0.043 -24.908
   79    HB3  GLU  13           2HB      GLU  13  11.420   1.069 -24.663
   80    HG2  GLU  13           1HG      GLU  13  11.108   0.064 -22.389
   81    HG3  GLU  13           2HG      GLU  13  12.554  -0.918 -22.645
   82    H    TYR  14           H        TYR  14   9.932  -2.894 -23.534
   83    HA   TYR  14           HA       TYR  14  12.332  -4.671 -23.676
   84    HB2  TYR  14           1HB      TYR  14  10.018  -4.591 -21.742
   85    HB3  TYR  14           2HB      TYR  14  11.365  -5.710 -21.660
   86    HD1  TYR  14           2HD      TYR  14  13.689  -4.858 -21.176
   87    HD2  TYR  14           1HD      TYR  14  10.181  -2.372 -20.831
   88    HE1  TYR  14           2HE      TYR  14  14.943  -3.296 -19.698
   89    HE2  TYR  14           1HE      TYR  14  11.440  -0.813 -19.336
   90    HH   TYR  14           HH       TYR  14  14.865  -1.375 -18.453
   91    H    CYS  15           H        CYS  15   8.827  -4.699 -24.341
   92    HA   CYS  15           HA       CYS  15   9.173  -7.346 -25.648
   93    HB2  CYS  15           1HB      CYS  15   7.176  -8.221 -24.721
   94    HB3  CYS  15           2HB      CYS  15   8.279  -7.748 -23.433
   95    H    ASN  16           H        ASN  16   8.547  -4.306 -26.400
   96    HA   ASN  16           HA       ASN  16   7.607  -3.207 -28.093
   97    HB2  ASN  16           1HB      ASN  16   9.057  -4.973 -29.202
   98    HB3  ASN  16           2HB      ASN  16   7.569  -5.847 -29.568
   99   HD21  ASN  16          1HD2      ASN  16   7.954  -5.625 -31.847
  100   HD22  ASN  16          2HD2      ASN  16   7.772  -4.067 -32.640
  101    H    LYS  17           H        LYS  17   5.631  -4.557 -26.198
  102    HA   LYS  17           HA       LYS  17   3.120  -4.716 -27.656
  103    HB2  LYS  17           1HB      LYS  17   3.852  -4.276 -24.742
  104    HB3  LYS  17           2HB      LYS  17   2.168  -4.277 -25.309
  105    HG2  LYS  17           1HG      LYS  17   2.393  -6.573 -26.131
  106    HG3  LYS  17           2HG      LYS  17   4.112  -6.572 -25.685
  107    HD2  LYS  17           1HD      LYS  17   3.380  -6.037 -23.296
  108    HD3  LYS  17           2HD      LYS  17   1.713  -6.267 -23.809
  109    HE2  LYS  17           1HE      LYS  17   2.616  -8.203 -22.643
  110    HE3  LYS  17           2HE      LYS  17   2.124  -8.612 -24.291
  111    HZ1  LYS  17           3HZ      LYS  17   4.375  -9.501 -23.562
  112    HZ2  LYS  17           1HZ      LYS  17   4.950  -7.954 -23.623
  113    HZ3  LYS  17           2HZ      LYS  17   4.395  -8.672 -24.969
  114    H    VAL  18           H        VAL  18   1.455  -3.253 -27.665
  115    HA   VAL  18           HA       VAL  18   2.266  -0.368 -27.635
  116    HB   VAL  18           HB       VAL  18   0.437  -1.775 -29.610
  117   HG11  VAL  18          1HG1      VAL  18   0.553   0.404 -30.832
  118   HG12  VAL  18          2HG1      VAL  18  -0.256   0.566 -29.274
  119   HG13  VAL  18          3HG1      VAL  18   1.435   1.095 -29.454
  120   HG21  VAL  18          3HG2      VAL  18   3.237  -0.607 -29.956
  121   HG22  VAL  18          1HG2      VAL  18   2.811  -2.331 -30.030
  122   HG23  VAL  18          2HG2      VAL  18   2.207  -1.226 -31.264
  123    H    PHE  19           H        PHE  19   0.965   1.093 -26.751
  124    HA   PHE  19           HA       PHE  19  -1.601   0.267 -25.472
  125    HB2  PHE  19           1HB      PHE  19   0.691   1.795 -24.174
  126    HB3  PHE  19           2HB      PHE  19  -0.855   1.423 -23.429
  127    HD1  PHE  19           2HD      PHE  19  -1.397  -0.889 -22.694
  128    HD2  PHE  19           1HD      PHE  19   2.419   0.077 -24.444
  129    HE1  PHE  19           2HE      PHE  19  -0.525  -3.119 -22.026
  130    HE2  PHE  19           1HE      PHE  19   3.296  -2.141 -23.757
  131    HZ   PHE  19           HZ       PHE  19   1.807  -3.777 -22.599
  132    H    LYS  20           H        LYS  20  -3.107   1.890 -25.125
  133    HA   LYS  20           HA       LYS  20  -3.084   4.098 -27.031
  134    HB2  LYS  20           1HB      LYS  20  -5.050   3.400 -24.819
  135    HB3  LYS  20           2HB      LYS  20  -5.332   4.559 -26.123
  136    HG2  LYS  20           1HG      LYS  20  -5.143   2.664 -27.771
  137    HG3  LYS  20           2HG      LYS  20  -4.997   1.546 -26.396
  138    HD2  LYS  20           1HD      LYS  20  -7.201   2.519 -25.515
  139    HD3  LYS  20           2HD      LYS  20  -7.356   3.354 -27.077
  140    HE2  LYS  20           1HE      LYS  20  -7.144   1.113 -28.211
  141    HE3  LYS  20           2HE      LYS  20  -7.103   0.356 -26.608
  142    HZ1  LYS  20           3HZ      LYS  20  -9.337   1.251 -26.206
  143    HZ2  LYS  20           1HZ      LYS  20  -9.349   0.327 -27.548
  144    HZ3  LYS  20           2HZ      LYS  20  -9.373   1.951 -27.683
  145    H    PHE  21           H        PHE  21  -2.294   3.870 -23.645
  146    HA   PHE  21           HA       PHE  21  -2.220   6.842 -23.384
  147    HB2  PHE  21           1HB      PHE  21  -3.324   4.964 -21.277
  148    HB3  PHE  21           2HB      PHE  21  -3.337   6.719 -21.266
  149    HD1  PHE  21           2HD      PHE  21  -4.681   7.901 -23.210
  150    HD2  PHE  21           1HD      PHE  21  -5.233   3.777 -22.055
  151    HE1  PHE  21           2HE      PHE  21  -6.922   7.892 -24.282
  152    HE2  PHE  21           1HE      PHE  21  -7.480   3.789 -23.095
  153    HZ   PHE  21           HZ       PHE  21  -8.321   5.833 -24.235
  154    H    LYS  22           H        LYS  22  -0.817   7.696 -21.871
  155    HA   LYS  22           HA       LYS  22   1.702   6.447 -21.581
  156    HB2  LYS  22           1HB      LYS  22   1.226   8.897 -21.618
  157    HB3  LYS  22           2HB      LYS  22   0.532   8.787 -20.002
  158    HG2  LYS  22           1HG      LYS  22   2.667   8.139 -19.059
  159    HG3  LYS  22           2HG      LYS  22   3.400   7.973 -20.664
  160    HD2  LYS  22           1HD      LYS  22   3.099  10.374 -21.090
  161    HD3  LYS  22           2HD      LYS  22   2.303  10.597 -19.527
  162    HE2  LYS  22           1HE      LYS  22   5.139   9.518 -19.836
  163    HE3  LYS  22           2HE      LYS  22   4.782  11.243 -19.706
  164    HZ1  LYS  22           3HZ      LYS  22   5.309  10.281 -17.536
  165    HZ2  LYS  22           1HZ      LYS  22   4.056   9.233 -17.629
  166    HZ3  LYS  22           2HZ      LYS  22   3.777  10.842 -17.541
  167    H    HIS  23           H        HIS  23  -0.863   6.856 -19.123
  168    HA   HIS  23           HA       HIS  23   0.584   5.579 -17.014
  169    HB2  HIS  23           1HB      HIS  23  -1.537   5.528 -15.830
  170    HB3  HIS  23           2HB      HIS  23  -1.298   7.086 -16.611
  171    HD1  HIS  23           1HD      HIS  23  -3.565   3.984 -16.824
  172    HD2  HIS  23           2HD      HIS  23  -3.019   7.768 -18.578
  173    HE1  HIS  23           1HE      HIS  23  -5.638   4.422 -18.239
  174    H    SER  24           H        SER  24  -1.586   4.210 -19.513
  175    HA   SER  24           HA       SER  24  -1.698   1.544 -18.495
  176    HB2  SER  24           1HB      SER  24  -1.735   2.467 -21.393
  177    HB3  SER  24           2HB      SER  24  -2.252   0.882 -20.797
  178    HG   SER  24           HG       SER  24  -3.911   1.881 -19.644
  179    H    LEU  25           H        LEU  25   0.694   3.062 -20.747
  180    HA   LEU  25           HA       LEU  25   2.365   0.721 -20.855
  181    HB2  LEU  25           1HB      LEU  25   2.549   2.430 -22.561
  182    HB3  LEU  25           2HB      LEU  25   2.972   3.655 -21.361
  183    HG   LEU  25           HG       LEU  25   5.085   2.469 -20.857
  184   HD11  LEU  25          1HD1      LEU  25   4.419   0.133 -21.452
  185   HD12  LEU  25          2HD1      LEU  25   5.889   0.648 -22.268
  186   HD13  LEU  25          3HD1      LEU  25   4.355   0.608 -23.161
  187   HD21  LEU  25          3HD2      LEU  25   6.268   2.971 -22.900
  188   HD22  LEU  25          1HD2      LEU  25   5.026   4.204 -22.622
  189   HD23  LEU  25          2HD2      LEU  25   4.763   2.921 -23.832
  190    H    GLN  26           H        GLN  26   2.507   3.637 -18.689
  191    HA   GLN  26           HA       GLN  26   4.835   2.850 -17.280
  192    HB2  GLN  26           1HB      GLN  26   2.420   4.499 -16.454
  193    HB3  GLN  26           2HB      GLN  26   3.759   4.187 -15.355
  194    HG2  GLN  26           1HG      GLN  26   5.338   5.147 -17.074
  195    HG3  GLN  26           2HG      GLN  26   3.955   5.596 -18.059
  196   HE21  GLN  26          1HE2      GLN  26   5.221   6.021 -14.667
  197   HE22  GLN  26          2HE2      GLN  26   4.632   7.672 -14.543
  198    H    ALA  27           H        ALA  27   1.440   1.915 -16.575
  199    HA   ALA  27           HA       ALA  27   2.128   0.329 -14.269
  200    HB1  ALA  27           1HB      ALA  27  -0.289   0.260 -16.112
  201    HB2  ALA  27           2HB      ALA  27  -0.170  -0.483 -14.499
  202    HB3  ALA  27           3HB      ALA  27  -0.090   1.287 -14.668
  203    H    HIS  28           H        HIS  28   1.878  -0.449 -17.766
  204    HA   HIS  28           HA       HIS  28   2.249  -3.292 -17.479
  205    HB2  HIS  28           1HB      HIS  28   1.408  -2.470 -19.560
  206    HB3  HIS  28           2HB      HIS  28   2.754  -1.344 -19.756
  207    HD1  HIS  28           1HD      HIS  28   2.245  -5.186 -19.665
  208    HD2  HIS  28           2HD      HIS  28   4.928  -2.208 -20.924
  209    HE1  HIS  28           1HE      HIS  28   4.120  -6.405 -20.850
  210    H    LEU  29           H        LEU  29   4.593  -0.609 -17.956
  211    HA   LEU  29           HA       LEU  29   6.897  -2.142 -18.317
  212    HB2  LEU  29           1HB      LEU  29   6.450   0.614 -17.136
  213    HB3  LEU  29           2HB      LEU  29   8.069  -0.044 -17.312
  214    HG   LEU  29           HG       LEU  29   6.159   0.271 -19.661
  215   HD11  LEU  29          1HD1      LEU  29   8.447   2.061 -18.737
  216   HD12  LEU  29          2HD1      LEU  29   6.717   2.468 -18.686
  217   HD13  LEU  29          3HD1      LEU  29   7.523   2.245 -20.245
  218   HD21  LEU  29          3HD2      LEU  29   9.148  -0.260 -19.524
  219   HD22  LEU  29          1HD2      LEU  29   8.234   0.095 -21.006
  220   HD23  LEU  29          2HD2      LEU  29   7.897  -1.382 -20.113
  221    H    ARG  30           H        ARG  30   5.250  -1.601 -15.274
  222    HA   ARG  30           HA       ARG  30   7.257  -2.127 -13.373
  223    HB2  ARG  30           1HB      ARG  30   4.334  -3.000 -13.430
  224    HB3  ARG  30           2HB      ARG  30   5.381  -3.135 -12.013
  225    HG2  ARG  30           1HG      ARG  30   5.705  -0.719 -11.923
  226    HG3  ARG  30           2HG      ARG  30   4.802  -0.493 -13.425
  227    HD2  ARG  30           1HD      ARG  30   3.387   0.062 -11.511
  228    HD3  ARG  30           2HD      ARG  30   2.754  -1.321 -12.395
  229    HE   ARG  30           HE       ARG  30   3.088  -2.695 -10.557
  230   HH11  ARG  30          2HH1      ARG  30   4.812   0.282  -9.833
  231   HH12  ARG  30          1HH1      ARG  30   5.027  -0.174  -8.166
  232   HH21  ARG  30          2HH2      ARG  30   3.315  -3.155  -8.516
  233   HH22  ARG  30          1HH2      ARG  30   4.189  -2.102  -7.417
  234    H    ILE  31           H        ILE  31   5.715  -4.563 -15.512
  235    HA   ILE  31           HA       ILE  31   6.726  -6.800 -14.024
  236    HB   ILE  31           HB       ILE  31   6.126  -8.188 -15.757
  237   HG12  ILE  31          1HG1      ILE  31   5.943  -5.824 -17.656
  238   HG13  ILE  31          2HG1      ILE  31   7.138  -7.118 -17.682
  239   HG21  ILE  31          1HG2      ILE  31   4.321  -7.060 -14.414
  240   HG22  ILE  31          2HG2      ILE  31   4.048  -5.970 -15.794
  241   HG23  ILE  31          3HG2      ILE  31   3.783  -7.715 -15.960
  242   HD11  ILE  31          3HD1      ILE  31   5.545  -7.627 -19.367
  243   HD12  ILE  31          1HD1      ILE  31   5.297  -8.777 -18.040
  244   HD13  ILE  31          2HD1      ILE  31   4.179  -7.407 -18.256
  245    H    HIS  32           H        HIS  32   8.233  -4.709 -16.351
  246    HA   HIS  32           HA       HIS  32  10.628  -6.435 -16.636
  247    HB2  HIS  32           1HB      HIS  32  10.067  -3.722 -17.873
  248    HB3  HIS  32           2HB      HIS  32  11.286  -4.892 -18.354
  249    HD1  HIS  32           1HD      HIS  32  10.021  -7.356 -19.319
  250    HD2  HIS  32           2HD      HIS  32   8.028  -3.667 -19.392
  251    HE1  HIS  32           1HE      HIS  32   8.224  -7.578 -21.101
  252    H    THR  33           H        THR  33   9.654  -3.262 -15.250
  253    HA   THR  33           HA       THR  33  12.425  -2.592 -14.585
  254    HB   THR  33           HB       THR  33  11.514  -0.445 -13.862
  255    HG1  THR  33           1HG      THR  33   9.321  -0.054 -14.087
  256   HG21  THR  33          3HG2      THR  33  12.012  -0.797 -16.268
  257   HG22  THR  33          1HG2      THR  33  10.686   0.350 -16.013
  258   HG23  THR  33          2HG2      THR  33  10.334  -1.308 -16.541
  259    H    ASN  34           H        ASN  34   9.663  -3.791 -12.699
  260    HA   ASN  34           HA       ASN  34  10.818  -2.977 -10.152
  261    HB2  ASN  34           1HB      ASN  34   8.376  -3.251 -10.603
  262    HB3  ASN  34           2HB      ASN  34   8.611  -4.995 -10.715
  263   HD21  ASN  34          1HD2      ASN  34   6.828  -3.779  -8.896
  264   HD22  ASN  34          2HD2      ASN  34   7.463  -4.048  -7.278
  265    H    GLU  35           H        GLU  35  12.194  -4.050  -8.847
  266    HA   GLU  35           HA       GLU  35  13.703  -6.293  -9.884
  267    HB2  GLU  35           1HB      GLU  35  15.080  -6.013  -7.918
  268    HB3  GLU  35           2HB      GLU  35  14.749  -4.451  -8.664
  269    HG2  GLU  35           1HG      GLU  35  12.998  -4.005  -6.937
  270    HG3  GLU  35           2HG      GLU  35  13.349  -5.564  -6.187
  271    H    LYS  36           H        LYS  36  10.857  -6.178  -7.921
  272    HA   LYS  36           HA       LYS  36  11.182  -8.634  -6.460
  273    HB2  LYS  36           1HB      LYS  36   8.734  -7.117  -7.432
  274    HB3  LYS  36           2HB      LYS  36   8.624  -8.611  -6.501
  275    HG2  LYS  36           1HG      LYS  36   9.904  -7.592  -4.645
  276    HG3  LYS  36           2HG      LYS  36  10.005  -6.063  -5.547
  277    HD2  LYS  36           1HD      LYS  36   7.548  -5.884  -5.561
  278    HD3  LYS  36           2HD      LYS  36   7.417  -7.455  -4.745
  279    HE2  LYS  36           1HE      LYS  36   8.582  -6.557  -2.773
  280    HE3  LYS  36           2HE      LYS  36   8.752  -4.985  -3.567
  281    HZ1  LYS  36           3HZ      LYS  36   6.345  -4.775  -3.587
  282    HZ2  LYS  36           1HZ      LYS  36   6.810  -5.094  -2.058
  283    HZ3  LYS  36           2HZ      LYS  36   6.130  -6.269  -2.970
  284    HA   PRO  37           HA       PRO  37  11.013 -11.339  -9.987
  285    HB2  PRO  37           1HB      PRO  37  10.832 -13.800  -8.772
  286    HB3  PRO  37           2HB      PRO  37  12.302 -12.796  -8.773
  287    HG2  PRO  37           1HG      PRO  37  10.203 -13.001  -6.595
  288    HG3  PRO  37           2HG      PRO  37  11.984 -13.105  -6.426
  289    HD2  PRO  37           1HD      PRO  37  10.632 -10.787  -5.966
  290    HD3  PRO  37           2HD      PRO  37  12.238 -10.779  -6.751
  291    H    TYR  38           H        TYR  38   8.476 -11.824  -7.486
  292    HA   TYR  38           HA       TYR  38   6.834 -13.270  -9.465
  293    HB2  TYR  38           1HB      TYR  38   6.282 -12.974  -6.516
  294    HB3  TYR  38           2HB      TYR  38   5.659 -14.175  -7.640
  295    HD1  TYR  38           1HD      TYR  38   7.937 -15.282  -9.020
  296    HD2  TYR  38           2HD      TYR  38   7.582 -14.006  -4.919
  297    HE1  TYR  38           1HE      TYR  38   9.773 -16.837  -8.377
  298    HE2  TYR  38           2HE      TYR  38   9.379 -15.617  -4.268
  299    HH   TYR  38           HH       TYR  38  11.133 -17.594  -6.683
  300    H    LYS  39           H        LYS  39   6.196 -11.492 -10.754
  301    HA   LYS  39           HA       LYS  39   4.393  -9.437  -9.642
  302    HB2  LYS  39           1HB      LYS  39   5.106 -10.158 -12.510
  303    HB3  LYS  39           2HB      LYS  39   3.916  -8.950 -12.050
  304    HG2  LYS  39           1HG      LYS  39   5.640  -7.524 -12.217
  305    HG3  LYS  39           2HG      LYS  39   5.933  -8.008 -10.555
  306    HD2  LYS  39           1HD      LYS  39   7.596  -9.704 -11.374
  307    HD3  LYS  39           2HD      LYS  39   7.314  -9.119 -13.031
  308    HE2  LYS  39           1HE      LYS  39   7.955  -6.787 -12.200
  309    HE3  LYS  39           2HE      LYS  39   8.395  -7.535 -10.656
  310    HZ1  LYS  39           3HZ      LYS  39  10.335  -7.314 -12.014
  311    HZ2  LYS  39           1HZ      LYS  39   9.644  -8.106 -13.286
  312    HZ3  LYS  39           2HZ      LYS  39  10.003  -8.901 -11.875
  313    H    CYS  40           H        CYS  40   2.219  -9.295  -9.876
  314    HA   CYS  40           HA       CYS  40   0.705 -11.720  -9.718
  315    HB2  CYS  40           1HB      CYS  40   0.144  -9.736  -8.490
  316    HB3  CYS  40           2HB      CYS  40  -0.080  -8.805  -9.989
  317    HA   PRO  41           HA       PRO  41  -0.037 -12.142 -14.178
  318    HB2  PRO  41           1HB      PRO  41  -1.880 -14.159 -14.145
  319    HB3  PRO  41           2HB      PRO  41  -0.152 -14.420 -13.769
  320    HG2  PRO  41           1HG      PRO  41  -2.438 -14.015 -11.813
  321    HG3  PRO  41           2HG      PRO  41  -1.177 -15.287 -11.793
  322    HD2  PRO  41           1HD      PRO  41  -0.986 -12.996 -10.305
  323    HD3  PRO  41           2HD      PRO  41   0.456 -13.781 -11.015
  324    H    GLN  42           H        GLN  42  -2.235 -10.947 -11.815
  325    HA   GLN  42           HA       GLN  42  -4.326 -10.330 -13.865
  326    HB2  GLN  42           1HB      GLN  42  -4.558 -11.021 -10.922
  327    HB3  GLN  42           2HB      GLN  42  -5.890 -10.379 -11.895
  328    HG2  GLN  42           1HG      GLN  42  -5.703 -12.278 -13.457
  329    HG3  GLN  42           2HG      GLN  42  -4.367 -12.946 -12.530
  330   HE21  GLN  42          1HE2      GLN  42  -4.794 -13.841 -10.378
  331   HE22  GLN  42          2HE2      GLN  42  -6.438 -14.322  -9.980
  332    H    CYS  43           H        CYS  43  -2.234  -8.719 -11.421
  333    HA   CYS  43           HA       CYS  43  -3.242  -6.188 -12.559
  334    HB2  CYS  43           1HB      CYS  43  -3.699  -5.185 -10.410
  335    HB3  CYS  43           2HB      CYS  43  -4.679  -6.627 -10.612
  336    H    SER  44           H        SER  44  -1.967  -4.404 -11.005
  337    HA   SER  44           HA       SER  44   0.776  -4.553 -11.995
  338    HB2  SER  44           1HB      SER  44  -0.694  -2.438 -10.377
  339    HB3  SER  44           2HB      SER  44   0.939  -2.257 -11.029
  340    HG   SER  44           HG       SER  44  -1.432  -2.717 -12.547
  341    H    TYR  45           H        TYR  45  -0.471  -5.955  -9.286
  342    HA   TYR  45           HA       TYR  45   1.333  -5.225  -7.205
  343    HB2  TYR  45           1HB      TYR  45  -0.893  -6.244  -6.935
  344    HB3  TYR  45           2HB      TYR  45  -0.331  -7.726  -7.692
  345    HD1  TYR  45           2HD      TYR  45  -0.135  -5.479  -4.751
  346    HD2  TYR  45           1HD      TYR  45   1.069  -9.315  -6.321
  347    HE1  TYR  45           2HE      TYR  45   0.582  -6.181  -2.478
  348    HE2  TYR  45           1HE      TYR  45   1.781 -10.021  -4.030
  349    HH   TYR  45           HH       TYR  45   1.443  -7.826  -1.204
  350    H    ALA  46           H        ALA  46   3.033  -6.381  -6.297
  351    HA   ALA  46           HA       ALA  46   4.163  -8.703  -7.653
  352    HB1  ALA  46           1HB      ALA  46   5.878  -6.212  -7.294
  353    HB2  ALA  46           2HB      ALA  46   6.386  -7.772  -7.993
  354    HB3  ALA  46           3HB      ALA  46   5.201  -6.756  -8.839
  355    H    SER  47           H        SER  47   5.538  -9.956  -6.452
  356    HA   SER  47           HA       SER  47   5.939  -9.303  -3.558
  357    HB2  SER  47           1HB      SER  47   3.984 -10.836  -3.969
  358    HB3  SER  47           2HB      SER  47   5.121 -11.986  -4.706
  359    HG   SER  47           HG       SER  47   5.101 -12.624  -2.675
  360    H    ALA  48           H        ALA  48   7.643 -10.351  -2.534
  361    HA   ALA  48           HA       ALA  48   9.802 -11.509  -4.234
  362    HB1  ALA  48           1HB      ALA  48  10.405  -9.553  -2.855
  363    HB2  ALA  48           2HB      ALA  48   9.888 -10.428  -1.392
  364    HB3  ALA  48           3HB      ALA  48  11.271 -11.013  -2.344
  365    H    ILE  49           H        ILE  49   7.190 -12.564  -2.505
  366    HA   ILE  49           HA       ILE  49   8.417 -15.217  -1.921
  367    HB   ILE  49           HB       ILE  49   6.320 -14.001  -0.112
  368   HG12  ILE  49          1HG1      ILE  49   9.320 -13.722   0.230
  369   HG13  ILE  49          2HG1      ILE  49   8.119 -12.429   0.046
  370   HG21  ILE  49          1HG2      ILE  49   8.353 -16.219   0.344
  371   HG22  ILE  49          2HG2      ILE  49   7.010 -15.761   1.416
  372   HG23  ILE  49          3HG2      ILE  49   6.665 -16.478  -0.145
  373   HD11  ILE  49          3HD1      ILE  49   7.067 -13.142   2.204
  374   HD12  ILE  49          1HD1      ILE  49   8.427 -14.273   2.436
  375   HD13  ILE  49          2HD1      ILE  49   8.729 -12.530   2.354
  376    H    LYS  50           H        LYS  50   7.295 -16.856  -2.791
  377    HA   LYS  50           HA       LYS  50   4.949 -16.422  -4.421
  378    HB2  LYS  50           1HB      LYS  50   6.327 -18.947  -3.431
  379    HB3  LYS  50           2HB      LYS  50   4.949 -18.951  -4.552
  380    HG2  LYS  50           1HG      LYS  50   6.308 -17.493  -6.109
  381    HG3  LYS  50           2HG      LYS  50   7.686 -17.726  -5.008
  382    HD2  LYS  50           1HD      LYS  50   7.563 -20.164  -5.336
  383    HD3  LYS  50           2HD      LYS  50   6.182 -19.948  -6.439
  384    HE2  LYS  50           1HE      LYS  50   7.622 -18.568  -7.933
  385    HE3  LYS  50           2HE      LYS  50   8.990 -18.847  -6.845
  386    HZ1  LYS  50           3HZ      LYS  50   9.007 -20.413  -8.704
  387    HZ2  LYS  50           1HZ      LYS  50   7.529 -20.979  -8.314
  388    HZ3  LYS  50           2HZ      LYS  50   8.794 -21.231  -7.310
  389    H    ALA  51           H        ALA  51   5.297 -17.651  -1.108
  390    HA   ALA  51           HA       ALA  51   2.553 -18.333  -0.683
  391    HB1  ALA  51           1HB      ALA  51   4.405 -19.058   0.777
  392    HB2  ALA  51           2HB      ALA  51   4.669 -17.376   1.298
  393    HB3  ALA  51           3HB      ALA  51   3.153 -18.206   1.701
  394    H    ASN  52           H        ASN  52   4.275 -15.186  -0.216
  395    HA   ASN  52           HA       ASN  52   1.914 -13.794   0.713
  396    HB2  ASN  52           1HB      ASN  52   4.128 -12.937   1.226
  397    HB3  ASN  52           2HB      ASN  52   4.515 -12.795  -0.491
  398   HD21  ASN  52          1HD2      ASN  52   4.148 -10.855  -1.455
  399   HD22  ASN  52          2HD2      ASN  52   2.964  -9.680  -0.890
  400    H    LEU  53           H        LEU  53   3.278 -14.344  -2.585
  401    HA   LEU  53           HA       LEU  53   1.267 -12.768  -3.877
  402    HB2  LEU  53           1HB      LEU  53   3.378 -13.502  -4.966
  403    HB3  LEU  53           2HB      LEU  53   2.778 -15.160  -4.987
  404    HG   LEU  53           HG       LEU  53   0.912 -14.488  -6.471
  405   HD11  LEU  53          1HD1      LEU  53   0.566 -12.142  -5.822
  406   HD12  LEU  53          2HD1      LEU  53   0.933 -12.236  -7.538
  407   HD13  LEU  53          3HD1      LEU  53   2.198 -11.718  -6.399
  408   HD21  LEU  53          3HD2      LEU  53   3.123 -15.168  -7.425
  409   HD22  LEU  53          1HD2      LEU  53   3.550 -13.441  -7.532
  410   HD23  LEU  53          2HD2      LEU  53   2.196 -14.082  -8.477
  411    H    ASN  54           H        ASN  54   1.180 -16.197  -2.776
  412    HA   ASN  54           HA       ASN  54  -1.422 -16.747  -3.868
  413    HB2  ASN  54           1HB      ASN  54   0.131 -18.487  -3.096
  414    HB3  ASN  54           2HB      ASN  54  -0.027 -17.931  -1.432
  415   HD21  ASN  54          1HD2      ASN  54  -1.769 -18.700  -0.204
  416   HD22  ASN  54          2HD2      ASN  54  -3.039 -19.696  -0.897
  417    H    VAL  55           H        VAL  55  -0.468 -15.305  -0.730
  418    HA   VAL  55           HA       VAL  55  -3.126 -14.920   0.304
  419    HB   VAL  55           HB       VAL  55  -0.519 -13.470   0.882
  420   HG11  VAL  55          1HG1      VAL  55  -3.153 -13.333   2.411
  421   HG12  VAL  55          2HG1      VAL  55  -1.583 -12.772   3.026
  422   HG13  VAL  55          3HG1      VAL  55  -2.302 -11.979   1.630
  423   HG21  VAL  55          3HG2      VAL  55  -0.605 -15.901   1.445
  424   HG22  VAL  55          1HG2      VAL  55  -0.493 -14.883   2.882
  425   HG23  VAL  55          2HG2      VAL  55  -2.052 -15.608   2.422
  426    H    HIS  56           H        HIS  56  -1.305 -13.145  -2.079
  427    HA   HIS  56           HA       HIS  56  -3.292 -10.974  -2.258
  428    HB2  HIS  56           1HB      HIS  56  -0.992 -10.449  -2.718
  429    HB3  HIS  56           2HB      HIS  56  -0.880 -11.712  -3.940
  430    HD1  HIS  56           1HD      HIS  56  -2.805  -8.398  -3.402
  431    HD2  HIS  56           2HD      HIS  56  -1.616 -11.118  -6.379
  432    HE1  HIS  56           1HE      HIS  56  -3.614  -7.418  -5.586
  433    H    LEU  57           H        LEU  57  -2.515 -13.868  -4.282
  434    HA   LEU  57           HA       LEU  57  -4.445 -13.381  -6.307
  435    HB2  LEU  57           1HB      LEU  57  -3.160 -15.881  -5.217
  436    HB3  LEU  57           2HB      LEU  57  -4.252 -15.953  -6.588
  437    HG   LEU  57           HG       LEU  57  -1.767 -14.186  -6.617
  438   HD11  LEU  57          1HD1      LEU  57  -2.109 -17.060  -7.567
  439   HD12  LEU  57          2HD1      LEU  57  -1.110 -16.517  -6.203
  440   HD13  LEU  57          3HD1      LEU  57  -0.684 -16.029  -7.853
  441   HD21  LEU  57          3HD2      LEU  57  -2.042 -14.447  -9.065
  442   HD22  LEU  57          1HD2      LEU  57  -3.421 -13.625  -8.327
  443   HD23  LEU  57          2HD2      LEU  57  -3.551 -15.341  -8.803
  444    H    ARG  58           H        ARG  58  -4.878 -15.027  -3.184
  445    HA   ARG  58           HA       ARG  58  -7.563 -15.888  -3.625
  446    HB2  ARG  58           1HB      ARG  58  -7.777 -16.155  -1.269
  447    HB3  ARG  58           2HB      ARG  58  -6.188 -16.703  -1.811
  448    HG2  ARG  58           1HG      ARG  58  -5.164 -14.637  -1.019
  449    HG3  ARG  58           2HG      ARG  58  -6.724 -14.006  -0.476
  450    HD2  ARG  58           1HD      ARG  58  -5.436 -16.576   0.523
  451    HD3  ARG  58           2HD      ARG  58  -5.275 -15.024   1.342
  452    HE   ARG  58           HE       ARG  58  -7.600 -16.801   1.336
  453   HH11  ARG  58          2HH1      ARG  58  -6.636 -13.485   1.960
  454   HH12  ARG  58          1HH1      ARG  58  -8.030 -13.180   2.958
  455   HH21  ARG  58          1HH2      ARG  58  -9.352 -16.333   2.607
  456   HH22  ARG  58          2HH2      ARG  58  -9.522 -14.751   3.308
  457    H    LYS  59           H        LYS  59  -6.479 -12.666  -3.357
  458    HA   LYS  59           HA       LYS  59  -9.112 -11.526  -2.637
  459    HB2  LYS  59           1HB      LYS  59  -6.696 -10.079  -3.792
  460    HB3  LYS  59           2HB      LYS  59  -8.093  -9.378  -2.980
  461    HG2  LYS  59           1HG      LYS  59  -7.425 -10.622  -0.880
  462    HG3  LYS  59           2HG      LYS  59  -5.938 -11.121  -1.716
  463    HD2  LYS  59           1HD      LYS  59  -5.304  -8.753  -2.032
  464    HD3  LYS  59           2HD      LYS  59  -6.783  -8.248  -1.178
  465    HE2  LYS  59           1HE      LYS  59  -6.037  -9.552   0.824
  466    HE3  LYS  59           2HE      LYS  59  -4.545  -9.982  -0.020
  467    HZ1  LYS  59           3HZ      LYS  59  -4.003  -7.593  -0.109
  468    HZ2  LYS  59           1HZ      LYS  59  -4.229  -8.059   1.438
  469    HZ3  LYS  59           2HZ      LYS  59  -5.388  -7.211   0.669
  470    H    HIS  60           H        HIS  60  -7.440 -12.450  -5.576
  471    HA   HIS  60           HA       HIS  60  -9.315 -11.033  -7.363
  472    HB2  HIS  60           1HB      HIS  60  -7.046 -13.003  -7.856
  473    HB3  HIS  60           2HB      HIS  60  -8.068 -12.344  -9.118
  474    HD1  HIS  60           1HD      HIS  60  -8.048  -9.454  -9.114
  475    HD2  HIS  60           2HD      HIS  60  -4.815 -11.698  -7.631
  476    HE1  HIS  60           1HE      HIS  60  -6.038  -7.918  -9.239
  477    H    THR  61           H        THR  61  -8.814 -14.361  -6.183
  478    HA   THR  61           HA       THR  61 -10.462 -15.608  -8.137
  479    HB   THR  61           HB       THR  61  -8.654 -16.674  -6.760
  480    HG1  THR  61           1HG      THR  61  -9.756 -18.655  -6.798
  481   HG21  THR  61          3HG2      THR  61 -10.870 -17.228  -4.744
  482   HG22  THR  61          1HG2      THR  61  -9.640 -15.978  -4.500
  483   HG23  THR  61          2HG2      THR  61  -9.152 -17.677  -4.653
  484    H    GLY  62           H        GLY  62 -12.353 -16.976  -7.723
  485    HA2  GLY  62           1HA      GLY  62 -14.226 -16.667  -5.672
  486    HA3  GLY  62           2HA      GLY  62 -14.650 -15.442  -6.876
  487    H    GLU  63           H        GLU  63 -14.143 -16.729  -9.280
  488    HA   GLU  63           HA       GLU  63 -16.275 -18.697  -9.473
  489    HB2  GLU  63           1HB      GLU  63 -14.372 -17.477 -11.502
  490    HB3  GLU  63           2HB      GLU  63 -15.437 -18.827 -11.884
  491    HG2  GLU  63           1HG      GLU  63 -16.591 -16.910 -12.579
  492    HG3  GLU  63           2HG      GLU  63 -17.413 -17.505 -11.150
  493    H    LYS  64           H        LYS  64 -16.176 -20.712  -9.907
  494    HA   LYS  64           HA       LYS  64 -13.706 -22.333  -9.791
  495    HB2  LYS  64           1HB      LYS  64 -14.270 -23.447  -7.734
  496    HB3  LYS  64           2HB      LYS  64 -13.993 -21.725  -7.498
  497    HG2  LYS  64           1HG      LYS  64 -16.457 -21.336  -7.384
  498    HG3  LYS  64           2HG      LYS  64 -16.725 -23.066  -7.665
  499    HD2  LYS  64           1HD      LYS  64 -16.892 -22.767  -5.315
  500    HD3  LYS  64           2HD      LYS  64 -15.352 -23.564  -5.649
  501    HE2  LYS  64           1HE      LYS  64 -15.020 -21.922  -3.916
  502    HE3  LYS  64           2HE      LYS  64 -14.153 -21.405  -5.360
  503    HZ1  LYS  64           3HZ      LYS  64 -15.435 -19.610  -4.248
  504    HZ2  LYS  64           1HZ      LYS  64 -16.835 -20.372  -4.587
  505    HZ3  LYS  64           2HZ      LYS  64 -15.889 -19.787  -5.798
  506    H    PHE  65           H        PHE  65 -14.127 -24.633  -9.746
  507    HA   PHE  65           HA       PHE  65 -16.564 -25.481 -11.259
  508    HB2  PHE  65           1HB      PHE  65 -13.690 -26.442 -11.566
  509    HB3  PHE  65           2HB      PHE  65 -15.084 -27.045 -12.450
  510    HD1  PHE  65           1HD      PHE  65 -12.792 -24.168 -12.038
  511    HD2  PHE  65           2HD      PHE  65 -16.073 -25.802 -14.303
  512    HE1  PHE  65           1HE      PHE  65 -12.442 -22.434 -13.788
  513    HE2  PHE  65           2HE      PHE  65 -15.736 -24.060 -16.043
  514    HZ   PHE  65           HZ       PHE  65 -13.914 -22.385 -15.795
  515    H    ALA  66           H        ALA  66 -17.366 -27.585 -10.770
  516    HA   ALA  66           HA       ALA  66 -16.463 -28.713  -8.154
  517    HB1  ALA  66           1HB      ALA  66 -18.797 -28.769  -7.449
  518    HB2  ALA  66           2HB      ALA  66 -18.333 -27.107  -7.865
  519    HB3  ALA  66           3HB      ALA  66 -19.314 -28.066  -8.996
  520    H    CYS  67           H        CYS  67 -16.732 -30.832  -7.765
  521    HA   CYS  67           HA       CYS  67 -16.843 -32.672  -9.973
  522    HB2  CYS  67           1HB      CYS  67 -15.388 -32.817  -8.010
  523    HB3  CYS  67           2HB      CYS  67 -16.801 -33.085  -6.984
  524    H    ASP  68           H        ASP  68 -18.245 -34.231 -10.469
  525    HA   ASP  68           HA       ASP  68 -21.104 -33.819  -9.760
  526    HB2  ASP  68           1HB      ASP  68 -20.321 -33.876 -12.151
  527    HB3  ASP  68           2HB      ASP  68 -19.859 -35.561 -11.915
  528    H    TYR  69           H        TYR  69 -18.513 -35.752  -8.787
  529    HA   TYR  69           HA       TYR  69 -20.219 -38.108  -8.055
  530    HB2  TYR  69           1HB      TYR  69 -17.258 -37.903  -8.599
  531    HB3  TYR  69           2HB      TYR  69 -18.118 -39.374  -8.172
  532    HD1  TYR  69           1HD      TYR  69 -19.697 -40.429  -9.792
  533    HD2  TYR  69           2HD      TYR  69 -17.283 -37.010 -10.841
  534    HE1  TYR  69           1HE      TYR  69 -20.065 -40.911 -12.202
  535    HE2  TYR  69           2HE      TYR  69 -17.663 -37.491 -13.260
  536    HH   TYR  69           HH       TYR  69 -19.637 -40.271 -14.359
  537    H    CYS  70           H        CYS  70 -18.155 -35.606  -6.719
  538    HA   CYS  70           HA       CYS  70 -18.797 -36.505  -4.011
  539    HB2  CYS  70           1HB      CYS  70 -16.597 -36.515  -3.142
  540    HB3  CYS  70           2HB      CYS  70 -16.649 -37.619  -4.503
  541    H    SER  71           H        SER  71 -17.444 -34.720  -2.512
  542    HA   SER  71           HA       SER  71 -18.803 -32.198  -3.089
  543    HB2  SER  71           1HB      SER  71 -17.048 -32.974  -0.735
  544    HB3  SER  71           2HB      SER  71 -18.121 -31.565  -0.835
  545    HG   SER  71           HG       SER  71 -19.099 -33.322   0.279
  546    H    PHE  72           H        PHE  72 -15.869 -33.229  -4.223
  547    HA   PHE  72           HA       PHE  72 -14.043 -31.193  -3.502
  548    HB2  PHE  72           1HB      PHE  72 -13.395 -33.338  -4.433
  549    HB3  PHE  72           2HB      PHE  72 -14.207 -32.967  -5.949
  550    HD1  PHE  72           1HD      PHE  72 -11.311 -32.049  -3.783
  551    HD2  PHE  72           2HD      PHE  72 -13.126 -31.715  -7.684
  552    HE1  PHE  72           1HE      PHE  72  -9.197 -31.112  -4.693
  553    HE2  PHE  72           2HE      PHE  72 -11.006 -30.799  -8.591
  554    HZ   PHE  72           HZ       PHE  72  -9.044 -30.485  -7.092
  555    H    THR  73           H        THR  73 -13.329 -29.319  -4.389
  556    HA   THR  73           HA       THR  73 -14.495 -28.285  -6.895
  557    HB   THR  73           HB       THR  73 -14.602 -25.989  -5.957
  558    HG1  THR  73           1HG      THR  73 -14.730 -25.807  -3.682
  559   HG21  THR  73          3HG2      THR  73 -16.440 -27.919  -4.484
  560   HG22  THR  73          1HG2      THR  73 -16.659 -27.361  -6.154
  561   HG23  THR  73          2HG2      THR  73 -16.736 -26.199  -4.825
  562    H    CYS  74           H        CYS  74 -13.207 -26.864  -8.052
  563    HA   CYS  74           HA       CYS  74 -10.483 -26.220  -7.136
  564    HB2  CYS  74           1HB      CYS  74  -9.428 -27.283  -9.120
  565    HB3  CYS  74           2HB      CYS  74 -10.204 -28.461  -8.060
  566    HG   CYS  74           HG       CYS  74 -12.469 -28.593  -9.396
  567    H    LEU  75           H        LEU  75  -9.298 -24.974  -8.974
  568    HA   LEU  75           HA       LEU  75 -11.193 -22.860  -9.857
  569    HB2  LEU  75           1HB      LEU  75  -8.197 -22.737  -9.419
  570    HB3  LEU  75           2HB      LEU  75  -9.256 -21.379  -9.793
  571    HG   LEU  75           HG       LEU  75  -9.315 -23.034  -7.233
  572   HD11  LEU  75          1HD1      LEU  75  -8.548 -20.939  -6.190
  573   HD12  LEU  75          2HD1      LEU  75  -8.482 -20.161  -7.792
  574   HD13  LEU  75          3HD1      LEU  75  -7.400 -21.515  -7.408
  575   HD21  LEU  75          3HD2      LEU  75 -11.597 -22.280  -7.723
  576   HD22  LEU  75          1HD2      LEU  75 -11.012 -20.633  -8.046
  577   HD23  LEU  75          2HD2      LEU  75 -10.920 -21.318  -6.408
  578    H    SER  76           H        SER  76 -10.257 -25.428 -11.451
  579    HA   SER  76           HA       SER  76 -10.287 -24.023 -14.047
  580    HB2  SER  76           1HB      SER  76  -7.922 -24.185 -13.734
  581    HB3  SER  76           2HB      SER  76  -8.037 -25.862 -13.179
  582    HG   SER  76           HG       SER  76  -7.392 -25.504 -15.451
  583    H    LYS  77           H        LYS  77 -11.370 -25.108 -15.601
  584    HA   LYS  77           HA       LYS  77 -12.850 -27.514 -15.053
  585    HB2  LYS  77           1HB      LYS  77 -13.425 -25.655 -16.686
  586    HB3  LYS  77           2HB      LYS  77 -12.193 -26.309 -17.773
  587    HG2  LYS  77           1HG      LYS  77 -13.432 -28.448 -17.907
  588    HG3  LYS  77           2HG      LYS  77 -14.571 -27.884 -16.676
  589    HD2  LYS  77           1HD      LYS  77 -15.606 -27.724 -18.849
  590    HD3  LYS  77           2HD      LYS  77 -15.355 -26.097 -18.201
  591    HE2  LYS  77           1HE      LYS  77 -13.329 -25.841 -19.618
  592    HE3  LYS  77           2HE      LYS  77 -13.539 -27.488 -20.227
  593    HZ1  LYS  77           3HZ      LYS  77 -15.666 -26.784 -21.192
  594    HZ2  LYS  77           1HZ      LYS  77 -14.461 -25.846 -21.762
  595    HZ3  LYS  77           2HZ      LYS  77 -15.473 -25.263 -20.624
  596    H    GLY  78           H        GLY  78  -9.655 -26.968 -16.433
  597    HA2  GLY  78           1HA      GLY  78  -9.178 -29.656 -17.431
  598    HA3  GLY  78           2HA      GLY  78  -7.963 -28.433 -17.022
  599    H    HIS  79           H        HIS  79  -8.519 -27.992 -14.300
  600    HA   HIS  79           HA       HIS  79  -7.330 -30.272 -13.005
  601    HB2  HIS  79           1HB      HIS  79  -7.155 -27.854 -12.327
  602    HB3  HIS  79           2HB      HIS  79  -8.794 -27.964 -11.684
  603    HD1  HIS  79           1HD      HIS  79  -8.214 -30.986 -10.349
  604    HD2  HIS  79           2HD      HIS  79  -5.960 -27.452 -10.031
  605    HE1  HIS  79           1HE      HIS  79  -6.843 -31.204  -8.200
  606    H    LEU  80           H        LEU  80 -10.728 -29.162 -13.280
  607    HA   LEU  80           HA       LEU  80 -11.857 -31.191 -11.618
  608    HB2  LEU  80           1HB      LEU  80 -13.101 -29.177 -12.268
  609    HB3  LEU  80           2HB      LEU  80 -13.044 -29.655 -13.963
  610    HG   LEU  80           HG       LEU  80 -14.430 -31.640 -13.490
  611   HD11  LEU  80          1HD1      LEU  80 -13.838 -32.116 -11.147
  612   HD12  LEU  80          2HD1      LEU  80 -15.564 -31.843 -11.315
  613   HD13  LEU  80          3HD1      LEU  80 -14.541 -30.563 -10.634
  614   HD21  LEU  80          3HD2      LEU  80 -15.717 -29.160 -12.323
  615   HD22  LEU  80          1HD2      LEU  80 -16.515 -30.519 -13.125
  616   HD23  LEU  80          2HD2      LEU  80 -15.474 -29.438 -14.067
  617    H    LYS  81           H        LYS  81 -11.317 -31.143 -15.185
  618    HA   LYS  81           HA       LYS  81 -12.287 -33.758 -15.741
  619    HB2  LYS  81           1HB      LYS  81 -11.738 -32.043 -17.445
  620    HB3  LYS  81           2HB      LYS  81 -10.013 -32.237 -17.097
  621    HG2  LYS  81           1HG      LYS  81 -10.125 -34.606 -17.818
  622    HG3  LYS  81           2HG      LYS  81 -11.864 -34.438 -18.124
  623    HD2  LYS  81           1HD      LYS  81 -11.398 -32.728 -19.856
  624    HD3  LYS  81           2HD      LYS  81  -9.655 -32.861 -19.525
  625    HE2  LYS  81           1HE      LYS  81  -9.721 -35.265 -20.152
  626    HE3  LYS  81           2HE      LYS  81 -11.452 -35.137 -20.482
  627    HZ1  LYS  81           3HZ      LYS  81 -10.930 -33.530 -22.242
  628    HZ2  LYS  81           1HZ      LYS  81 -10.144 -34.934 -22.516
  629    HZ3  LYS  81           2HZ      LYS  81  -9.328 -33.648 -21.934
  630    H    VAL  82           H        VAL  82  -8.954 -32.759 -14.854
  631    HA   VAL  82           HA       VAL  82  -7.851 -35.392 -14.761
  632    HB   VAL  82           HB       VAL  82  -7.073 -32.826 -13.324
  633   HG11  VAL  82          1HG1      VAL  82  -6.125 -34.663 -11.997
  634   HG12  VAL  82          2HG1      VAL  82  -5.501 -35.435 -13.473
  635   HG13  VAL  82          3HG1      VAL  82  -4.856 -33.874 -12.930
  636   HG21  VAL  82          3HG2      VAL  82  -5.296 -32.737 -15.006
  637   HG22  VAL  82          1HG2      VAL  82  -5.820 -34.293 -15.691
  638   HG23  VAL  82          2HG2      VAL  82  -6.855 -32.863 -15.824
  639    H    HIS  83           H        HIS  83  -9.401 -33.491 -12.086
  640    HA   HIS  83           HA       HIS  83  -9.091 -35.456 -10.063
  641    HB2  HIS  83           1HB      HIS  83  -9.833 -33.237  -9.506
  642    HB3  HIS  83           2HB      HIS  83 -11.245 -33.364 -10.549
  643    HD1  HIS  83           1HD      HIS  83 -10.001 -34.638  -7.141
  644    HD2  HIS  83           2HD      HIS  83 -13.402 -34.605  -9.609
  645    HE1  HIS  83           1HE      HIS  83 -11.892 -35.553  -5.721
  646    H    ILE  84           H        ILE  84 -11.796 -35.096 -12.432
  647    HA   ILE  84           HA       ILE  84 -13.225 -37.388 -11.455
  648    HB   ILE  84           HB       ILE  84 -13.363 -35.899 -14.091
  649   HG12  ILE  84          1HG1      ILE  84 -15.212 -35.956 -11.648
  650   HG13  ILE  84          2HG1      ILE  84 -14.026 -34.698 -11.959
  651   HG21  ILE  84          1HG2      ILE  84 -15.205 -38.091 -13.019
  652   HG22  ILE  84          2HG2      ILE  84 -15.513 -37.104 -14.469
  653   HG23  ILE  84          3HG2      ILE  84 -14.158 -38.214 -14.455
  654   HD11  ILE  84          3HD1      ILE  84 -15.204 -34.116 -14.082
  655   HD12  ILE  84          1HD1      ILE  84 -16.488 -35.271 -13.638
  656   HD13  ILE  84          2HD1      ILE  84 -16.167 -33.872 -12.611
  657    H    GLU  85           H        GLU  85 -10.905 -37.101 -14.191
  658    HA   GLU  85           HA       GLU  85 -10.989 -39.796 -15.056
  659    HB2  GLU  85           1HB      GLU  85  -8.791 -37.710 -15.057
  660    HB3  GLU  85           2HB      GLU  85  -8.578 -39.306 -15.785
  661    HG2  GLU  85           1HG      GLU  85 -10.453 -38.960 -17.285
  662    HG3  GLU  85           2HG      GLU  85 -10.796 -37.382 -16.601
  663    H    ARG  86           H        ARG  86  -8.778 -38.342 -12.567
  664    HA   ARG  86           HA       ARG  86  -7.475 -40.864 -12.002
  665    HB2  ARG  86           1HB      ARG  86  -7.464 -38.061 -10.826
  666    HB3  ARG  86           2HB      ARG  86  -6.617 -39.373 -10.030
  667    HG2  ARG  86           1HG      ARG  86  -5.188 -37.998 -11.484
  668    HG3  ARG  86           2HG      ARG  86  -5.144 -39.735 -11.812
  669    HD2  ARG  86           1HD      ARG  86  -6.481 -39.401 -13.849
  670    HD3  ARG  86           2HD      ARG  86  -6.565 -37.661 -13.508
  671    HE   ARG  86           HE       ARG  86  -3.844 -38.676 -13.577
  672   HH11  ARG  86          2HH1      ARG  86  -6.370 -37.489 -15.751
  673   HH12  ARG  86          1HH1      ARG  86  -5.212 -37.013 -16.935
  674   HH21  ARG  86          2HH2      ARG  86  -2.451 -38.030 -15.163
  675   HH22  ARG  86          1HH2      ARG  86  -3.064 -37.306 -16.618
  676    H    VAL  87           H        VAL  87 -10.140 -39.150 -10.358
  677    HA   VAL  87           HA       VAL  87  -9.951 -41.075  -8.107
  678    HB   VAL  87           HB       VAL  87 -11.579 -38.529  -8.308
  679   HG11  VAL  87          1HG1      VAL  87 -11.616 -38.667  -5.832
  680   HG12  VAL  87          2HG1      VAL  87 -12.462 -40.022  -6.572
  681   HG13  VAL  87          3HG1      VAL  87 -10.828 -40.259  -5.914
  682   HG21  VAL  87          3HG2      VAL  87  -9.151 -38.019  -8.420
  683   HG22  VAL  87          1HG2      VAL  87  -9.802 -37.566  -6.847
  684   HG23  VAL  87          2HG2      VAL  87  -8.860 -39.064  -7.013
  685    H    HIS  88           H        HIS  88 -12.311 -40.228 -10.650
  686    HA   HIS  88           HA       HIS  88 -14.240 -42.171  -9.402
  687    HB2  HIS  88           1HB      HIS  88 -14.818 -39.672 -11.015
  688    HB3  HIS  88           2HB      HIS  88 -16.003 -40.734 -10.262
  689    HD1  HIS  88           1HD      HIS  88 -15.629 -40.864  -7.384
  690    HD2  HIS  88           2HD      HIS  88 -14.259 -37.585  -9.621
  691    HE1  HIS  88           1HE      HIS  88 -15.442 -38.933  -5.739
  692    H    LYS  89           H        LYS  89 -12.837 -41.184 -12.513
  693    HA   LYS  89           HA       LYS  89 -14.707 -42.577 -14.153
  694    HB2  LYS  89           1HB      LYS  89 -13.076 -40.649 -14.689
  695    HB3  LYS  89           2HB      LYS  89 -11.833 -41.886 -14.860
  696    HG2  LYS  89           1HG      LYS  89 -12.740 -41.134 -17.007
  697    HG3  LYS  89           2HG      LYS  89 -12.992 -42.858 -16.762
  698    HD2  LYS  89           1HD      LYS  89 -14.914 -41.685 -17.808
  699    HD3  LYS  89           2HD      LYS  89 -15.336 -42.542 -16.322
  700    HE2  LYS  89           1HE      LYS  89 -15.247 -40.379 -15.069
  701    HE3  LYS  89           2HE      LYS  89 -14.856 -39.534 -16.576
  702    HZ1  LYS  89           3HZ      LYS  89 -17.012 -40.222 -17.452
  703    HZ2  LYS  89           1HZ      LYS  89 -17.251 -39.452 -16.030
  704    HZ3  LYS  89           2HZ      LYS  89 -17.359 -41.073 -16.100
  705    H    LYS  90           H        LYS  90 -12.016 -43.777 -12.423
  706    HA   LYS  90           HA       LYS  90 -12.642 -46.540 -13.294
  707    HB2  LYS  90           1HB      LYS  90 -10.536 -45.809 -14.449
  708    HB3  LYS  90           2HB      LYS  90  -9.820 -45.447 -12.884
  709    HG2  LYS  90           1HG      LYS  90  -8.968 -47.543 -13.677
  710    HG3  LYS  90           2HG      LYS  90  -9.971 -47.864 -12.267
  711    HD2  LYS  90           1HD      LYS  90 -11.826 -48.612 -13.762
  712    HD3  LYS  90           2HD      LYS  90 -10.831 -48.218 -15.179
  713    HE2  LYS  90           1HE      LYS  90  -9.119 -49.858 -14.409
  714    HE3  LYS  90           2HE      LYS  90 -10.129 -50.260 -13.017
  715    HZ1  LYS  90           3HZ      LYS  90 -10.446 -51.846 -14.828
  716    HZ2  LYS  90           1HZ      LYS  90 -10.902 -50.669 -15.860
  717    HZ3  LYS  90           2HZ      LYS  90 -11.843 -51.043 -14.576
  718    H    ILE  91           H        ILE  91 -12.555 -48.047 -11.596
  719    HA   ILE  91           HA       ILE  91 -13.137 -47.058  -9.005
  720    HB   ILE  91           HB       ILE  91 -13.209 -49.399  -8.307
  721   HG12  ILE  91          1HG1      ILE  91 -12.346 -50.101 -11.154
  722   HG13  ILE  91          2HG1      ILE  91 -11.335 -50.271  -9.715
  723   HG21  ILE  91          1HG2      ILE  91 -15.159 -49.964  -9.622
  724   HG22  ILE  91          2HG2      ILE  91 -15.116 -48.215  -9.420
  725   HG23  ILE  91          3HG2      ILE  91 -14.626 -48.938 -10.967
  726   HD11  ILE  91          3HD1      ILE  91 -13.913 -51.777 -10.285
  727   HD12  ILE  91          1HD1      ILE  91 -12.264 -52.422 -10.246
  728   HD13  ILE  91          2HD1      ILE  91 -13.020 -51.844  -8.745
  729    H    LYS  92           H        LYS  92 -12.176 -47.376  -7.070
  730    HA   LYS  92           HA       LYS  92  -9.181 -47.286  -7.007
  731    HB2  LYS  92           1HB      LYS  92 -11.185 -46.136  -5.038
  732    HB3  LYS  92           2HB      LYS  92  -9.441 -45.967  -4.955
  733    HG2  LYS  92           1HG      LYS  92 -11.227 -44.755  -7.123
  734    HG3  LYS  92           2HG      LYS  92 -10.613 -43.938  -5.700
  735    HD2  LYS  92           1HD      LYS  92  -9.173 -43.203  -7.327
  736    HD3  LYS  92           2HD      LYS  92  -8.238 -44.493  -6.565
  737    HE2  LYS  92           1HE      LYS  92  -8.868 -46.025  -8.423
  738    HE3  LYS  92           2HE      LYS  92  -9.887 -44.763  -9.123
  739    HZ1  LYS  92           3HZ      LYS  92  -6.944 -44.547  -8.779
  740    HZ2  LYS  92           1HZ      LYS  92  -7.916 -43.424  -9.481
  741    HZ3  LYS  92           2HZ      LYS  92  -7.700 -44.882 -10.189