*HEADER    TRANSCRIPTION                           26-JAN-15   2RV7              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAINS (ZF3-ZF4-ZF5) 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 297-381;                                      
*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: P061010-08                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RV7    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=72,78,76,77, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=78,84,82,83, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,88,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=100,94,98,99, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=97,91,95,96, &end
#
#  chirality for residue 9 atoms:  CG N HD2 HD3
 &rst iat=94,90,92,93, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=90,102,101,97, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=106,111,109,110, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=104,123,107,108, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=129,135,133,134, &end
#
#  chirality for residue 11 atoms:  CD NZ HE2 HE3
 &rst iat=135,141,139,140, &end
#
#  chirality for residue 11 atoms:  CG CE HD2 HD3
 &rst iat=132,138,136,137, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=125,145,128,129, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=167,161,165,166, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=164,158,162,163, &end
#
#  chirality for residue 13 atoms:  CG N HD2 HD3
 &rst iat=161,157,159,160, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=157,169,168,164, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=173,178,176,177, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=175,181,179,180, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=171,186,174,175, &end
#
#  chirality for residue 16 atoms:  CA OG HB2 HB3
 &rst iat=200,205,203,204, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=198,207,201,202, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=211,216,214,215, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=209,228,212,213, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=230,238,233,234, &end
#
#  chirality for residue 19 atoms:  CA OG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=240,249,243,244, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=251,259,254,255, &end
#
#  chirality for residue 21 atoms:  CA CG2 CG1 HB
 &rst iat=263,267,271,266, &end
#
#  chirality for residue 21 atoms:  CB CD1 HG12 HG13
 &rst iat=265,274,272,273, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=261,278,264,265, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=282,287,285,286, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=284,290,288,289, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=290,296,294,295, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=287,293,291,292, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=280,300,283,284, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=302,310,305,306, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=314,319,317,318, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=312,324,315,316, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=328,333,331,332, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=330,335,339,334, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=326,343,329,330, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=347,352,350,351, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=345,357,348,349, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=361,365,369,364, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=359,373,362,363, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=377,382,380,381, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=375,390,378,379, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=394,399,397,398, &end
#
#  chirality for residue 29 atoms:  CB CD1 CD2 HG
 &rst iat=396,401,405,400, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=392,409,395,396, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=415,421,419,420, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat=418,424,422,423, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=411,433,414,415, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=437,442,440,441, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=439,445,443,444, &end
#
#  chirality for residue 31 atoms:  CD NZ HE2 HE3
 &rst iat=445,451,449,450, &end
#
#  chirality for residue 31 atoms:  CG CE HD2 HD3
 &rst iat=442,448,446,447, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=435,455,438,439, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=459,464,462,463, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=457,472,460,461, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=476,480,484,479, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=474,486,477,478, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=497,502,500,501, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=499,505,503,504, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=495,508,498,499, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=514,520,518,519, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=520,526,524,525, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=517,523,521,522, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=510,530,513,514, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=534,539,537,538, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=532,550,535,536, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=552,560,555,556, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=574,579,577,578, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=572,582,575,576, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=586,591,589,590, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=584,603,587,588, &end
#
#  chirality for residue 43 atoms:  CA OG HB2 HB3
 &rst iat=617,622,620,621, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=615,624,618,619, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=628,633,631,632, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=626,644,629,630, &end
#
#  chirality for residue 45 atoms:  CA CG2 OG1 HB
 &rst iat=648,652,656,651, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=646,658,649,650, &end
#
#  chirality for residue 46 atoms:  CA SG HB2 HB3
 &rst iat=662,667,665,666, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=660,669,663,664, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=673,678,676,677, &end
#
#  chirality for residue 47 atoms:  CB CD1 CD2 HG
 &rst iat=675,680,684,679, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=671,688,674,675, &end
#
#  chirality for residue 48 atoms:  CA OG HB2 HB3
 &rst iat=692,697,695,696, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=690,699,693,694, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=703,708,706,707, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=705,711,709,710, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=711,717,715,716, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=708,714,712,713, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=701,721,704,705, &end
#
#  chirality for residue 50 atoms:  N C HA2 HA3
 &rst iat=723,728,726,727, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=732,737,735,736, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=730,745,733,734, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=749,754,752,753, &end
#
#  chirality for residue 52 atoms:  CB CD1 CD2 HG
 &rst iat=751,756,760,755, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=747,764,750,751, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=768,773,771,772, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=770,776,774,775, &end
#
#  chirality for residue 53 atoms:  CD NZ HE2 HE3
 &rst iat=776,782,780,781, &end
#
#  chirality for residue 53 atoms:  CG CE HD2 HD3
 &rst iat=773,779,777,778, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=766,786,769,770, &end
#
#  chirality for residue 54 atoms:  CA CG1 CG2 HB
 &rst iat=790,794,798,793, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=788,802,791,792, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=806,811,809,810, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=804,819,807,808, &end
#
#  chirality for residue 56 atoms:  CA CG2 CG1 HB
 &rst iat=823,827,831,826, &end
#
#  chirality for residue 56 atoms:  CB CD1 HG12 HG13
 &rst iat=825,834,832,833, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=821,838,824,825, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=842,847,845,846, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=844,850,848,849, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=840,853,843,844, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=857,862,860,861, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=859,865,863,864, &end
#
#  chirality for residue 58 atoms:  CG NE HD2 HD3
 &rst iat=862,868,866,867, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=855,877,858,859, &end
#
#  chirality for residue 59 atoms:  CA CG1 CG2 HB
 &rst iat=881,885,889,884, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=879,893,882,883, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=897,902,900,901, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=895,910,898,899, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=914,919,917,918, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=916,922,920,921, &end
#
#  chirality for residue 61 atoms:  CD NZ HE2 HE3
 &rst iat=922,928,926,927, &end
#
#  chirality for residue 61 atoms:  CG CE HD2 HD3
 &rst iat=919,925,923,924, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=912,932,915,916, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=936,941,939,940, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=938,944,942,943, &end
#
#  chirality for residue 62 atoms:  CD NZ HE2 HE3
 &rst iat=944,950,948,949, &end
#
#  chirality for residue 62 atoms:  CG CE HD2 HD3
 &rst iat=941,947,945,946, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=934,954,937,938, &end
#
#  chirality for residue 63 atoms:  CA CG2 CG1 HB
 &rst iat=958,962,966,961, &end
#
#  chirality for residue 63 atoms:  CB CD1 HG12 HG13
 &rst iat=960,969,967,968, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=956,973,959,960, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=977,982,980,981, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=979,985,983,984, &end
#
#  chirality for residue 64 atoms:  CD NZ HE2 HE3
 &rst iat=985,991,989,990, &end
#
#  chirality for residue 64 atoms:  CG CE HD2 HD3
 &rst iat=982,988,986,987, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=975,995,978,979, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=999,1004,1002,1003, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=1001,1007,1005,1006, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=997,1012,1000,1001, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1016,1021,1019,1020, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1014,1029,1017,1018, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1043,1048,1046,1047, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1045,1051,1049,1050, &end
#
#  chirality for residue 68 atoms:  CG NE HD2 HD3
 &rst iat=1048,1054,1052,1053, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1041,1063,1044,1045, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1067,1072,1070,1071, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1065,1083,1068,1069, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1097,1102,1100,1101, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1099,1105,1103,1104, &end
#
#  chirality for residue 71 atoms:  CD NZ HE2 HE3
 &rst iat=1105,1111,1109,1110, &end
#
#  chirality for residue 71 atoms:  CG CE HD2 HD3
 &rst iat=1102,1108,1106,1107, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1095,1115,1098,1099, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1119,1124,1122,1123, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1121,1127,1125,1126, &end
#
#  chirality for residue 72 atoms:  CD NZ HE2 HE3
 &rst iat=1127,1133,1131,1132, &end
#
#  chirality for residue 72 atoms:  CG CE HD2 HD3
 &rst iat=1124,1130,1128,1129, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1117,1137,1120,1121, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1141,1146,1144,1145, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1143,1149,1147,1148, &end
#
#  chirality for residue 73 atoms:  CD NZ HE2 HE3
 &rst iat=1149,1155,1153,1154, &end
#
#  chirality for residue 73 atoms:  CG CE HD2 HD3
 &rst iat=1146,1152,1150,1151, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1139,1159,1142,1143, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1163,1168,1166,1167, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1161,1180,1164,1165, &end
#
#  chirality for residue 75 atoms:  CA OG HB2 HB3
 &rst iat=1184,1189,1187,1188, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1182,1191,1185,1186, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1195,1200,1198,1199, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1193,1203,1196,1197, &end
#
#  chirality for residue 77 atoms:  CA CG1 CG2 HB
 &rst iat=1207,1211,1215,1210, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1205,1219,1208,1209, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1223,1228,1226,1227, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1225,1231,1229,1230, &end
#
#  chirality for residue 78 atoms:  CD NZ HE2 HE3
 &rst iat=1231,1237,1235,1236, &end
#
#  chirality for residue 78 atoms:  CG CE HD2 HD3
 &rst iat=1228,1234,1232,1233, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1221,1241,1224,1225, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1243,1255,1246,1247, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1259,1264,1262,1263, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1261,1266,1270,1265, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1257,1274,1260,1261, &end
#
#  chirality for residue 81 atoms:  CA CG2 CG1 HB
 &rst iat=1278,1282,1286,1281, &end
#
#  chirality for residue 81 atoms:  CB CD1 HG12 HG13
 &rst iat=1280,1289,1287,1288, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1276,1293,1279,1280, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1297,1302,1300,1301, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1299,1305,1303,1304, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1305,1311,1309,1310, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1302,1308,1306,1307, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1295,1315,1298,1299, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1319,1324,1322,1323, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1317,1332,1320,1321, &end
#
#  chirality for residue 84 atoms:  CA CG2 CG1 HB
 &rst iat=1336,1340,1344,1339, &end
#
#  chirality for residue 84 atoms:  CB CD1 HG12 HG13
 &rst iat=1338,1347,1345,1346, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1334,1351,1337,1338, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1355,1360,1358,1359, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1357,1363,1361,1362, &end
#
#  chirality for residue 85 atoms:  CG NE HD2 HD3
 &rst iat=1360,1366,1364,1365, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1353,1375,1356,1357, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1379,1384,1382,1383, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1377,1387,1380,1381, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1389,1397,1392,1393, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1401,1406,1404,1405, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1399,1414,1402,1403, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1418,1423,1421,1422, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1416,1426,1419,1420, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1438,1432,1436,1437, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1435,1429,1433,1434, &end
#
#  chirality for residue 90 atoms:  CG N HD2 HD3
 &rst iat=1432,1428,1430,1431, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1428,1440,1439,1435, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1444,1449,1447,1448, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1446,1452,1450,1451, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1442,1457,1445,1446, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1461,1466,1464,1465, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1459,1469,1462,1463, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=70,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=100,90,88,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=106,104,102,100, &end
#
#  trans-omega constraint for residue 11
 &rst iat=127,125,123,106, &end
#
#  trans-omega constraint for residue 12
 &rst iat=149,147,145,127, &end
#
#  trans-omega constraint for residue 13
 &rst iat=167,157,155,149, &end
#
#  trans-omega constraint for residue 14
 &rst iat=173,171,169,167, &end
#
#  trans-omega constraint for residue 15
 &rst iat=190,188,186,173, &end
#
#  trans-omega constraint for residue 16
 &rst iat=200,198,196,190, &end
#
#  trans-omega constraint for residue 17
 &rst iat=211,209,207,200, &end
#
#  trans-omega constraint for residue 18
 &rst iat=232,230,228,211, &end
#
#  trans-omega constraint for residue 19
 &rst iat=242,240,238,232, &end
#
#  trans-omega constraint for residue 20
 &rst iat=253,251,249,242, &end
#
#  trans-omega constraint for residue 21
 &rst iat=263,261,259,253, &end
#
#  trans-omega constraint for residue 22
 &rst iat=282,280,278,263, &end
#
#  trans-omega constraint for residue 23
 &rst iat=304,302,300,282, &end
#
#  trans-omega constraint for residue 24
 &rst iat=314,312,310,304, &end
#
#  trans-omega constraint for residue 25
 &rst iat=328,326,324,314, &end
#
#  trans-omega constraint for residue 26
 &rst iat=347,345,343,328, &end
#
#  trans-omega constraint for residue 27
 &rst iat=361,359,357,347, &end
#
#  trans-omega constraint for residue 28
 &rst iat=377,375,373,361, &end
#
#  trans-omega constraint for residue 29
 &rst iat=394,392,390,377, &end
#
#  trans-omega constraint for residue 30
 &rst iat=413,411,409,394, &end
#
#  trans-omega constraint for residue 31
 &rst iat=437,435,433,413, &end
#
#  trans-omega constraint for residue 32
 &rst iat=459,457,455,437, &end
#
#  trans-omega constraint for residue 33
 &rst iat=476,474,472,459, &end
#
#  trans-omega constraint for residue 34
 &rst iat=490,488,486,476, &end
#
#  trans-omega constraint for residue 35
 &rst iat=497,495,493,490, &end
#
#  trans-omega constraint for residue 36
 &rst iat=512,510,508,497, &end
#
#  trans-omega constraint for residue 37
 &rst iat=534,532,530,512, &end
#
#  trans-omega constraint for residue 38
 &rst iat=554,552,550,534, &end
#
#  trans-omega constraint for residue 39
 &rst iat=564,562,560,554, &end
#
#  trans-omega constraint for residue 40
 &rst iat=574,572,570,564, &end
#
#  trans-omega constraint for residue 41
 &rst iat=586,584,582,574, &end
#
#  trans-omega constraint for residue 42
 &rst iat=607,605,603,586, &end
#
#  trans-omega constraint for residue 43
 &rst iat=617,615,613,607, &end
#
#  trans-omega constraint for residue 44
 &rst iat=628,626,624,617, &end
#
#  trans-omega constraint for residue 45
 &rst iat=648,646,644,628, &end
#
#  trans-omega constraint for residue 46
 &rst iat=662,660,658,648, &end
#
#  trans-omega constraint for residue 47
 &rst iat=673,671,669,662, &end
#
#  trans-omega constraint for residue 48
 &rst iat=692,690,688,673, &end
#
#  trans-omega constraint for residue 49
 &rst iat=703,701,699,692, &end
#
#  trans-omega constraint for residue 50
 &rst iat=725,723,721,703, &end
#
#  trans-omega constraint for residue 51
 &rst iat=732,730,728,725, &end
#
#  trans-omega constraint for residue 52
 &rst iat=749,747,745,732, &end
#
#  trans-omega constraint for residue 53
 &rst iat=768,766,764,749, &end
#
#  trans-omega constraint for residue 54
 &rst iat=790,788,786,768, &end
#
#  trans-omega constraint for residue 55
 &rst iat=806,804,802,790, &end
#
#  trans-omega constraint for residue 56
 &rst iat=823,821,819,806, &end
#
#  trans-omega constraint for residue 57
 &rst iat=842,840,838,823, &end
#
#  trans-omega constraint for residue 58
 &rst iat=857,855,853,842, &end
#
#  trans-omega constraint for residue 59
 &rst iat=881,879,877,857, &end
#
#  trans-omega constraint for residue 60
 &rst iat=897,895,893,881, &end
#
#  trans-omega constraint for residue 61
 &rst iat=914,912,910,897, &end
#
#  trans-omega constraint for residue 62
 &rst iat=936,934,932,914, &end
#
#  trans-omega constraint for residue 63
 &rst iat=958,956,954,936, &end
#
#  trans-omega constraint for residue 64
 &rst iat=977,975,973,958, &end
#
#  trans-omega constraint for residue 65
 &rst iat=999,997,995,977, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1016,1014,1012,999, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1033,1031,1029,1016, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1043,1041,1039,1033, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1067,1065,1063,1043, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1087,1085,1083,1067, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1097,1095,1093,1087, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1119,1117,1115,1097, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1141,1139,1137,1119, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1163,1161,1159,1141, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1184,1182,1180,1163, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1195,1193,1191,1184, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1207,1205,1203,1195, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1223,1221,1219,1207, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1245,1243,1241,1223, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1259,1257,1255,1245, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1278,1276,1274,1259, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1297,1295,1293,1278, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1319,1317,1315,1297, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1336,1334,1332,1319, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1355,1353,1351,1336, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1379,1377,1375,1355, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1391,1389,1387,1379, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1401,1399,1397,1391, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1418,1416,1414,1401, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1438,1428,1426,1418, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1444,1442,1440,1438, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1461,1459,1457,1444, &end
#
# 8 LYS HA 10 TYR HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 105, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
# 8 LYS HA 10 TYR QB 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 109, 110,
 &end
#
# 8 LYS HA 18 ALA QB 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 235, 236, 237,
 &end
#
# 8 LYS HA 20 ALA HA 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 254, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 8 LYS HA 20 ALA QB 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 256, 257, 258,
 &end
#
# 8 LYS HA 8 LYS HG2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 8 LYS HA 8 LYS HG3 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  77, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 8 LYS HA 8 LYS QD 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=  79,  80,
 &end
#
# 8 LYS HA 8 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=  82,  83,
 &end
#
# 8 LYS HA 9 PRO HD2 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  92, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 8 LYS HA 9 PRO HD3 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  93, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 8 LYS HA 9 PRO HG3 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  96, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 8 LYS HB2 9 PRO HD2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  92, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 8 LYS HB2 9 PRO HD3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LYS HB3 9 PRO HD2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  92, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 8 LYS HB3 9 PRO HD3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LYS HG2 19 SER HA 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 243, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 8 LYS HG2 19 SER QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 245, 246,
 &end
#
# 8 LYS HG2 20 ALA QB 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 256, 257, 258,
 &end
#
# 8 LYS HG2 8 LYS QE 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=  82,  83,
 &end
#
# 8 LYS HG2 9 PRO HD2 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  92, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 8 LYS HG3 9 PRO HD2 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  92, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 8 LYS HG3 9 PRO HD3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LYS HN 20 ALA HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  69, 252, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 8 LYS HN 8 LYS HG3 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  77, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 8 LYS HN 9 PRO HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LYS QB 18 ALA HN 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 18 ALA QB 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=  73,  74,
 igr2= 235, 236, 237,
 &end
#
# 8 LYS QB 19 SER HA 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 19 SER HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 8 LYS QD 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=  73,  74,
 igr2=  79,  80,
 &end
#
# 8 LYS QB 8 LYS QE 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=  73,  74,
 igr2=  82,  83,
 &end
#
# 8 LYS QB 9 PRO HD3 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=  73,  74,
 &end
#
# 8 LYS QD 19 SER HA 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=  79,  80,
 &end
#
# 8 LYS QD 19 SER HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=  79,  80,
 &end
#
# 8 LYS QE 20 ALA QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=  82,  83,
 igr2= 256, 257, 258,
 &end
#
# 9 PRO HA 10 TYR QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 109, 110,
 &end
#
# 9 PRO HA 10 TYR QD 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 113, 122,
 &end
#
# 9 PRO HA 11 LYS QD 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 136, 137,
 &end
#
# 9 PRO HA 11 LYS QE 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 139, 140,
 &end
#
# 9 PRO HA 18 ALA QB 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 235, 236, 237,
 &end
#
# 9 PRO HB2 10 TYR HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 105, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 9 PRO HB2 10 TYR QE 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 115, 120,
 &end
#
# 9 PRO HB3 10 TYR HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 PRO HB3 10 TYR HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 105, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 9 PRO HB3 10 TYR QD 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 113, 122,
 &end
#
# 9 PRO HB3 10 TYR QE 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 115, 120,
 &end
#
# 9 PRO HD2 10 TYR HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 105, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 9 PRO HD2 10 TYR QB 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 109, 110,
 &end
#
# 9 PRO HD2 10 TYR QD 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 113, 122,
 &end
#
# 9 PRO HD2 10 TYR QE 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 115, 120,
 &end
#
# 9 PRO HD2 18 ALA QB 5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 235, 236, 237,
 &end
#
# 9 PRO HD2 20 ALA HA 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 254, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 9 PRO HD2 20 ALA QB 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 256, 257, 258,
 &end
#
# 9 PRO HD3 10 TYR HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 105, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 9 PRO HD3 10 TYR QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 113, 122,
 &end
#
# 9 PRO HD3 10 TYR QE 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 115, 120,
 &end
#
# 9 PRO HD3 20 ALA HA 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 254, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 9 PRO HD3 20 ALA QB 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 256, 257, 258,
 &end
#
# 9 PRO HG2 10 TYR HA 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 107, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 9 PRO HG2 10 TYR HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 105, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 9 PRO HG2 10 TYR QB 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 109, 110,
 &end
#
# 9 PRO HG2 10 TYR QD 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 113, 122,
 &end
#
# 9 PRO HG2 10 TYR QE 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 115, 120,
 &end
#
# 9 PRO HG2 20 ALA HA 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 9 PRO HG3 10 TYR HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 105, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 9 PRO HG3 10 TYR QD 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 113, 122,
 &end
#
# 9 PRO HG3 10 TYR QE 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 115, 120,
 &end
#
# 9 PRO HG3 20 ALA HA 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 254, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 10 TYR HA 10 TYR QD 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 113, 122,
 &end
#
# 10 TYR HA 11 LYS HN 2.66
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
# 10 TYR HA 25 LEU QQD 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 10 TYR HN 10 TYR QB 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 109, 110,
 &end
#
# 10 TYR HN 10 TYR QD 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 113, 122,
 &end
#
# 10 TYR HN 10 TYR QE 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 115, 120,
 &end
#
# 10 TYR HN 11 LYS HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 126, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 10 TYR HN 11 LYS QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 136, 137,
 &end
#
# 10 TYR HN 19 SER HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 241, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 10 TYR HN 19 SER QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 245, 246,
 &end
#
# 10 TYR HN 20 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 256, 257, 258,
 &end
#
# 10 TYR HN 25 LEU QQD 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 10 TYR QB 11 LYS HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 17 TYR QE 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 109, 110,
 igr2= 220, 225,
 &end
#
# 10 TYR QB 19 SER HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 19 SER QB 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 109, 110,
 igr2= 245, 246,
 &end
#
# 10 TYR QB 20 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 109, 110,
 igr2= 256, 257, 258,
 &end
#
# 10 TYR QB 21 ILE HN 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU HB2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU HB3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU HG 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU QB 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 109, 110,
 igr2= 331, 332,
 &end
#
# 10 TYR QB 25 LEU QD1 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 109, 110,
 igr2= 336, 337, 338,
 &end
#
# 10 TYR QB 25 LEU QD2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 109, 110,
 igr2= 340, 341, 342,
 &end
#
# 10 TYR QB 25 LEU QQD 2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 109, 110,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 10 TYR QD 11 LYS HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 19 SER HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 19 SER QB 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 113, 122,
 igr2= 245, 246,
 &end
#
# 10 TYR QD 20 ALA HA 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 20 ALA QB 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 113, 122,
 igr2= 256, 257, 258,
 &end
#
# 10 TYR QD 21 ILE HA 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 21 ILE HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS HA 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS QB 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 113, 122,
 igr2= 285, 286,
 &end
#
# 10 TYR QD 22 LYS QD 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 113, 122,
 igr2= 291, 292,
 &end
#
# 10 TYR QD 22 LYS QE 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 113, 122,
 igr2= 294, 295,
 &end
#
# 10 TYR QD 22 LYS QG 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 113, 122,
 igr2= 288, 289,
 &end
#
# 10 TYR QD 25 LEU HB2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 25 LEU HB3 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 25 LEU QQD 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 113, 122,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 10 TYR QE 20 ALA HA 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 20 ALA QB 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 115, 120,
 igr2= 256, 257, 258,
 &end
#
# 10 TYR QE 21 ILE HA 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 21 ILE QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 115, 120,
 igr2= 268, 269, 270,
 &end
#
# 10 TYR QE 22 LYS HA 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HD2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HD3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS QB 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 115, 120,
 igr2= 285, 286,
 &end
#
# 10 TYR QE 22 LYS QD 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 115, 120,
 igr2= 291, 292,
 &end
#
# 10 TYR QE 22 LYS QE 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 115, 120,
 igr2= 294, 295,
 &end
#
# 10 TYR QE 22 LYS QG 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 115, 120,
 igr2= 288, 289,
 &end
#
# 10 TYR QE 25 LEU QQD 5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
 igr1= 115, 120,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 11 LYS HA 11 LYS HD2 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 11 LYS HA 11 LYS HD3 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 137, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 11 LYS HA 12 CYM  HN 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 148, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 11 LYS HA 17 TYR QD 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 218, 227,
 &end
#
# 11 LYS HB2 12 CYM  HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 148, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 11 LYS HB3 12 CYM  HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 11 LYS HG2 12 CYM  HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 148, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 11 LYS HG3 12 CYM  HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 148, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 11 LYS HN 11 LYS HB2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 11 LYS HN 11 LYS HB3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 11 LYS HN 11 LYS HG2 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 133, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 11 LYS HN 11 LYS HG3 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 134, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 11 LYS HN 11 LYS QB 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 130, 131,
 &end
#
# 11 LYS HN 11 LYS QG 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 133, 134,
 &end
#
# 11 LYS HN 12 CYM  HN 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 11 LYS HN 18 ALA QB 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS HN 25 LEU QQD 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 11 LYS QB 11 LYS QD 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 130, 131,
 igr2= 136, 137,
 &end
#
# 11 LYS QB 11 LYS QE 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 130, 131,
 igr2= 139, 140,
 &end
#
# 11 LYS QB 12 CYM  HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 130, 131,
 &end
#
# 11 LYS QB 18 ALA QB 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 130, 131,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS QD 12 CYM  HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 136, 137,
 &end
#
# 11 LYS QE 18 ALA QB 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 139, 140,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS QG 12 CYM  HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 133, 134,
 &end
#
# 11 LYS QG 18 ALA QB 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 133, 134,
 igr2= 235, 236, 237,
 &end
#
# 12 CYM  HA 13 PRO HD2 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 12 CYM  HA 13 PRO HD3 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 12 CYM  HA 14 GLN HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 12 CYM  HA 15 CYM  HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 189, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 12 CYM  HA 17 TYR HB3 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 215, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 12 CYM  HA 17 TYR QD 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 218, 227,
 &end
#
# 12 CYM  HA 25 LEU QD1 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 336, 337, 338,
 &end
#
# 12 CYM  HA 25 LEU QD2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 340, 341, 342,
 &end
#
# 12 CYM  HA 25 LEU QQD 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 12 CYM  HA 28 HIS HD2 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 389, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 12 CYM  HA 29 LEU QD2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 406, 407, 408,
 &end
#
# 12 CYM  HB2 13 PRO HD2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 159, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 12 CYM  HB2 13 PRO HD3 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 160, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 12 CYM  HB2 14 GLN HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 12 CYM  HB2 15 CYM  HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 189, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 12 CYM  HB2 17 TYR HA 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 12 CYM  HB2 17 TYR HB2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 214, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 12 CYM  HB2 17 TYR HB3 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 215, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 12 CYM  HB2 17 TYR HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 210, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 12 CYM  HB2 17 TYR QD 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 218, 227,
 &end
#
# 12 CYM  HB2 17 TYR QE 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 220, 225,
 &end
#
# 12 CYM  HB2 25 LEU QQD 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 389, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 12 CYM  HB2 29 LEU QD2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 406, 407, 408,
 &end
#
# 12 CYM  HB3 13 PRO HD2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 12 CYM  HB3 13 PRO HD3 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 12 CYM  HB3 14 GLN HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 189, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 12 CYM  HB3 16 SER HA 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 201, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 12 CYM  HB3 17 TYR HA 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 212, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 12 CYM  HB3 17 TYR HB2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 12 CYM  HB3 17 TYR HB3 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 215, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 12 CYM  HB3 17 TYR HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 210, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 12 CYM  HB3 17 TYR QD 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 218, 227,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 389, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 12 CYM  HB3 29 LEU QD2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 406, 407, 408,
 &end
#
# 12 CYM  HN 12 CYM  HB2 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 12 CYM  HN 13 PRO HD2 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 159, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 12 CYM  HN 13 PRO HD3 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 12 CYM  HN 15 CYM  HN 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 189, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 12 CYM  HN 17 TYR HB2 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 214, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 12 CYM  HN 17 TYR HB3 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 215, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 12 CYM  HN 17 TYR QD 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 218, 227,
 &end
#
# 12 CYM  HN 18 ALA QB 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 235, 236, 237,
 &end
#
# 12 CYM  HN 25 LEU QD1 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 336, 337, 338,
 &end
#
# 12 CYM  HN 25 LEU QD2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 340, 341, 342,
 &end
#
# 12 CYM  HN 25 LEU QQD 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 12 CYM  HN 28 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 PRO HA 14 GLN HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 PRO HA 15 CYM  HN 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 13 PRO HB2 14 GLN HG2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 179, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 13 PRO HB2 14 GLN HG3 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 180, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 13 PRO HB2 29 LEU QD2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 406, 407, 408,
 &end
#
# 13 PRO HB3 14 GLN HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 172, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 13 PRO HD2 14 GLN HG3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 180, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 13 PRO HD2 14 GLN HN 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 172, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 13 PRO HD2 15 CYM  HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 189, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 13 PRO HD2 25 LEU QD1 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 336, 337, 338,
 &end
#
# 13 PRO HD2 25 LEU QD2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 340, 341, 342,
 &end
#
# 13 PRO HD2 25 LEU QQD 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 13 PRO HD2 28 HIS HD2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 389, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 13 PRO HD2 29 LEU HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 PRO HD2 29 LEU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 PRO HD2 29 LEU QD1 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 402, 403, 404,
 &end
#
# 13 PRO HD2 29 LEU QD2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 406, 407, 408,
 &end
#
# 13 PRO HD3 14 GLN HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 172, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 13 PRO HD3 15 CYM  HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 PRO HD3 25 LEU QD1 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 336, 337, 338,
 &end
#
# 13 PRO HD3 25 LEU QD2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 340, 341, 342,
 &end
#
# 13 PRO HD3 25 LEU QQD 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 13 PRO HD3 29 LEU QD1 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 402, 403, 404,
 &end
#
# 13 PRO HD3 29 LEU QD2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 406, 407, 408,
 &end
#
# 13 PRO HG2 14 GLN HG3 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 180, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 13 PRO HG2 14 GLN HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 172, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 13 PRO HG3 14 GLN HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 172, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 13 PRO HG3 29 LEU QD1 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 402, 403, 404,
 &end
#
# 13 PRO HG3 29 LEU QD2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 406, 407, 408,
 &end
#
# 14 GLN HA 14 GLN HG2 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 14 GLN HA 14 GLN HG3 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 180, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 14 GLN HA 15 CYM  HB3 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 14 GLN HB2 15 CYM  HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 189, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 14 GLN HB2 32 HIS HD2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 471, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 14 GLN HB2 32 HIS HE1 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 468, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 14 GLN HB3 15 CYM  HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 189, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 14 GLN HB3 32 HIS HD2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 471, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 14 GLN HB3 32 HIS HE1 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 468, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 14 GLN HE21 29 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 406, 407, 408,
 &end
#
# 14 GLN HE21 32 HIS HB2 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 462, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 14 GLN HE21 32 HIS HB3 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 463, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 14 GLN HE22 29 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 406, 407, 408,
 &end
#
# 14 GLN HE22 32 HIS HB2 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 462, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 14 GLN HE22 32 HIS HB3 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 463, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 14 GLN HG2 15 CYM  HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 189, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 14 GLN HG2 32 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 GLN HG3 14 GLN QE2 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 184, 185,
 &end
#
# 14 GLN HG3 15 CYM  HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 189, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 14 GLN HG3 29 LEU QD2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 406, 407, 408,
 &end
#
# 14 GLN HG3 32 HIS HB2 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 462, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 14 GLN HG3 32 HIS HB3 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 463, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 14 GLN HG3 32 HIS HD2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 471, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 14 GLN HN 14 GLN HB2 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 14 GLN HN 14 GLN HB3 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 14 GLN HN 14 GLN HG2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 179, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 14 GLN HN 14 GLN HG3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 14 GLN HN 14 GLN QB 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 176, 177,
 &end
#
# 14 GLN HN 15 CYM  HN 2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 189, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 14 GLN HN 29 LEU QD2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 406, 407, 408,
 &end
#
# 14 GLN QB 14 GLN QE2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 176, 177,
 igr2= 184, 185,
 &end
#
# 14 GLN QB 15 CYM  HN 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 176, 177,
 &end
#
# 14 GLN QB 32 HIS HB3 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 176, 177,
 &end
#
# 14 GLN QB 32 HIS HD2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 &end
#
# 14 GLN QB 32 HIS HE1 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 176, 177,
 &end
#
# 14 GLN QE2 29 LEU HB3 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 184, 185,
 &end
#
# 14 GLN QE2 29 LEU QD2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 184, 185,
 igr2= 406, 407, 408,
 &end
#
# 14 GLN QE2 32 HIS HB2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 184, 185,
 &end
#
# 14 GLN QE2 32 HIS HB3 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 184, 185,
 &end
#
# 14 GLN QE2 32 HIS HD2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 184, 185,
 &end
#
# 14 GLN QE2 33 THR QG2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 184, 185,
 igr2= 481, 482, 483,
 &end
#
# 15 CYM  HB2 16 SER HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 CYM  HB2 17 TYR HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 CYM  HB2 32 HIS HE1 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 468, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 15 CYM  HB3 16 SER HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 199, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 15 CYM  HB3 17 TYR HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 210, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 15 CYM  HB3 32 HIS HE1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 468, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 15 CYM  HN 15 CYM  HB2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 15 CYM  HN 15 CYM  HB3 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 193, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 15 CYM  HN 17 TYR HB3 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 215, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 15 CYM  HN 17 TYR HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 210, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 16 SER HN 17 TYR HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 210, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 17 TYR HA 17 TYR QD 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 218, 227,
 &end
#
# 17 TYR HA 18 ALA HA 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 233, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 17 TYR HA 18 ALA HN 2.60
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 231, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 17 TYR HA 18 ALA QB 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 235, 236, 237,
 &end
#
# 17 TYR HA 28 HIS HE1 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 386, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 17 TYR HB2 18 ALA HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 231, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 17 TYR HB2 25 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 17 TYR HB2 28 HIS HE1 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 386, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 17 TYR HB3 18 ALA HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 231, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 17 TYR HB3 25 LEU QQD 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 17 TYR HB3 28 HIS HE1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 386, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 17 TYR HN 17 TYR HB2 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 17 TYR HN 17 TYR HB3 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 17 TYR HN 17 TYR QD 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 218, 227,
 &end
#
# 17 TYR HN 18 ALA HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 231, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 17 TYR HN 28 HIS HE1 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 386, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 17 TYR QD 18 ALA HA 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 18 ALA HN 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 18 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= 218, 227,
 igr2= 235, 236, 237,
 &end
#
# 17 TYR QD 19 SER HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 19 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= 218, 227,
 igr2= 245, 246,
 &end
#
# 17 TYR QD 25 LEU HA 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 25 LEU QB 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 218, 227,
 igr2= 331, 332,
 &end
#
# 17 TYR QD 25 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= 218, 227,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 17 TYR QD 28 HIS HB2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 28 HIS HB3 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 28 HIS HD2 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 28 HIS HE1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 218, 227,
 &end
#
# 17 TYR QE 18 ALA HA 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 18 ALA HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER HA 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER HB2 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER HB3 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER QB 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 220, 225,
 igr2= 245, 246,
 &end
#
# 17 TYR QE 24 ASN HB2 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 24 ASN HB3 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 25 LEU HA 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 25 LEU HG 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 25 LEU HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 25 LEU QB 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 220, 225,
 igr2= 331, 332,
 &end
#
# 17 TYR QE 25 LEU QD1 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 220, 225,
 igr2= 336, 337, 338,
 &end
#
# 17 TYR QE 25 LEU QD2 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 220, 225,
 igr2= 340, 341, 342,
 &end
#
# 17 TYR QE 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= 220, 225,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 17 TYR QE 28 HIS HA 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 28 HIS HB2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 28 HIS HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 28 HIS HD2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 28 HIS HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 29 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 225,
 &end
#
# 18 ALA HA 19 SER HN 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 241, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 18 ALA HN 18 ALA QB 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 235, 236, 237,
 &end
#
# 18 ALA HN 19 SER HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 241, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 18 ALA QB 19 SER HA 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 235, 236, 237,
 &end
#
# 18 ALA QB 19 SER HN 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 235, 236, 237,
 &end
#
# 18 ALA QB 19 SER QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 235, 236, 237,
 igr2= 245, 246,
 &end
#
# 19 SER HB2 24 ASN HB2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 317, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 19 SER HB2 24 ASN HB3 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 318, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 19 SER HB3 24 ASN HB2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 317, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 19 SER HB3 24 ASN HB3 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 318, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 19 SER HN 19 SER HB2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 245, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 19 SER HN 19 SER HB3 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 19 SER HN 19 SER QB 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 245, 246,
 &end
#
# 19 SER HN 20 ALA HN 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 252, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 19 SER QB 21 ILE HB 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 245, 246,
 &end
#
# 19 SER QB 21 ILE HN 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
# 19 SER QB 24 ASN HB2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 245, 246,
 &end
#
# 19 SER QB 24 ASN HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 245, 246,
 &end
#
# 19 SER QB 25 LEU HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 245, 246,
 &end
#
# 19 SER QB 25 LEU QB 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 245, 246,
 igr2= 331, 332,
 &end
#
# 19 SER QB 25 LEU QQD 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 245, 246,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 20 ALA QB 21 ILE HB 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 256, 257, 258,
 &end
#
# 20 ALA QB 21 ILE HN 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 256, 257, 258,
 &end
#
# 20 ALA QB 21 ILE QD1 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 256, 257, 258,
 igr2= 275, 276, 277,
 &end
#
# 20 ALA QB 21 ILE QG1 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 256, 257, 258,
 igr2= 272, 273,
 &end
#
# 21 ILE HA 21 ILE HG12 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 21 ILE HA 21 ILE HG13 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 273, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 21 ILE HA 21 ILE QD1 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 275, 276, 277,
 &end
#
# 21 ILE HA 21 ILE QG1 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 272, 273,
 &end
#
# 21 ILE HA 21 ILE QG2 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 268, 269, 270,
 &end
#
# 21 ILE HB 21 ILE QD1 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 275, 276, 277,
 &end
#
# 21 ILE HB 23 ALA QB 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 307, 308, 309,
 &end
#
# 21 ILE HB 24 ASN HB2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 317, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 21 ILE HB 24 ASN HB3 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 318, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 21 ILE HB 24 ASN HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 313, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 21 ILE HB 24 ASN QD2 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 322, 323,
 &end
#
# 21 ILE HB 25 LEU HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 327, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 21 ILE HN 21 ILE HB 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 21 ILE HN 21 ILE HG12 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 272, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 21 ILE HN 21 ILE HG13 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 21 ILE HN 21 ILE QD1 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 275, 276, 277,
 &end
#
# 21 ILE HN 21 ILE QG1 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 272, 273,
 &end
#
# 21 ILE HN 21 ILE QG2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 268, 269, 270,
 &end
#
# 21 ILE HN 24 ASN HB2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 317, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 21 ILE HN 24 ASN HB3 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 318, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 21 ILE HN 24 ASN HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 313, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 21 ILE QD1 23 ALA QB 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 275, 276, 277,
 igr2= 307, 308, 309,
 &end
#
# 21 ILE QD1 24 ASN HB2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 275, 276, 277,
 &end
#
# 21 ILE QD1 24 ASN HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 275, 276, 277,
 &end
#
# 21 ILE QD1 24 ASN QD2 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 275, 276, 277,
 igr2= 322, 323,
 &end
#
# 21 ILE QG1 24 ASN HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 272, 273,
 &end
#
# 21 ILE QG2 21 ILE HG12 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 21 ILE HG13 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 21 ILE QG1 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 268, 269, 270,
 igr2= 272, 273,
 &end
#
# 21 ILE QG2 22 LYS HA 5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 23 ALA HA 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 23 ALA HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 23 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= 268, 269, 270,
 igr2= 307, 308, 309,
 &end
#
# 21 ILE QG2 24 ASN HA 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 24 ASN HB2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 24 ASN HB3 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 24 ASN HN 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 24 ASN QD2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 268, 269, 270,
 igr2= 322, 323,
 &end
#
# 21 ILE QG2 25 LEU HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 268, 269, 270,
 &end
#
# 22 LYS HA 22 LYS HD2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 291, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 22 LYS HA 22 LYS HD3 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 292, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 22 LYS HA 22 LYS QD 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 291, 292,
 &end
#
# 22 LYS HA 22 LYS QG 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 288, 289,
 &end
#
# 22 LYS HA 24 ASN HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 313, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 22 LYS HA 25 LEU HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 327, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 22 LYS HA 25 LEU QB 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 331, 332,
 &end
#
# 22 LYS HA 25 LEU QQD 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 22 LYS HA 26 ASN HN 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 346, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 22 LYS HG2 22 LYS QE 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 294, 295,
 &end
#
# 22 LYS HG3 22 LYS QE 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 294, 295,
 &end
#
# 22 LYS QB 22 LYS QD 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 285, 286,
 igr2= 291, 292,
 &end
#
# 22 LYS QG 23 ALA HA 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 288, 289,
 &end
#
# 22 LYS QG 23 ALA QB 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 288, 289,
 igr2= 307, 308, 309,
 &end
#
# 22 LYS QG 26 ASN HD21 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 288, 289,
 &end
#
# 23 ALA HA 25 LEU HN 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 327, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 23 ALA HA 26 ASN HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ALA HA 26 ASN HB2 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 350, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 23 ALA HA 26 ASN HB3 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 351, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 23 ALA HA 26 ASN HD21 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 355, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 23 ALA HA 26 ASN HD22 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 356, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 23 ALA HA 26 ASN HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 23 ALA HA 27 VAL HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 360, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 23 ALA HA 27 VAL QQG 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 23 ALA HN 23 ALA QB 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 307, 308, 309,
 &end
#
# 23 ALA HN 24 ASN HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 313, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 23 ALA QB 24 ASN HA 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 24 ASN HN 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 25 LEU HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 26 ASN HB2 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 26 ASN HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 26 ASN HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 27 VAL HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 307, 308, 309,
 &end
#
# 24 ASN HA 24 ASN QD2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 322, 323,
 &end
#
# 24 ASN HA 27 VAL HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 ASN HA 27 VAL HB 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 364, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 24 ASN HA 27 VAL HN 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 360, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 ASN HA 27 VAL QQG 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 24 ASN HA 28 HIS HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 376, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 24 ASN HB2 25 LEU HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 24 ASN HB2 27 VAL QQG 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 24 ASN HB3 25 LEU HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 24 ASN HN 24 ASN HB2 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 317, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 24 ASN HN 24 ASN HB3 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 24 ASN HN 25 LEU HN 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 24 ASN HN 25 LEU QB 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 331, 332,
 &end
#
# 24 ASN HN 26 ASN HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 346, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 24 ASN HN 27 VAL QQG 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 25 LEU HA 25 LEU HG 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 334, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 25 LEU HA 25 LEU QQD 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 25 LEU HA 28 HIS HA 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 378, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 25 LEU HA 28 HIS HB2 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 380, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 25 LEU HA 28 HIS HB3 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 381, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 25 LEU HA 28 HIS HD2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 389, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 25 LEU HA 28 HIS HN 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 376, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 25 LEU HA 29 LEU HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 393, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 25 LEU HA 29 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 406, 407, 408,
 &end
#
# 25 LEU HB2 25 LEU QD1 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 336, 337, 338,
 &end
#
# 25 LEU HB2 25 LEU QD2 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 340, 341, 342,
 &end
#
# 25 LEU HB2 26 ASN HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 346, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 25 LEU HB3 25 LEU QD1 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 336, 337, 338,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 340, 341, 342,
 &end
#
# 25 LEU HB3 26 ASN HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 346, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 25 LEU HG 26 ASN HA 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 348, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 25 LEU HG 26 ASN HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 346, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 25 LEU HG 28 HIS HB3 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 381, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 25 LEU HG 29 LEU HG 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 400, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 25 LEU HG 29 LEU HN 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 393, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 25 LEU HG 29 LEU QD1 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 402, 403, 404,
 &end
#
# 25 LEU HG 29 LEU QD2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 406, 407, 408,
 &end
#
# 25 LEU HN 25 LEU HB2 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 25 LEU HN 25 LEU HB3 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 25 LEU HN 25 LEU HG 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 334, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 25 LEU HN 25 LEU QD1 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 336, 337, 338,
 &end
#
# 25 LEU HN 25 LEU QD2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 340, 341, 342,
 &end
#
# 25 LEU HN 26 ASN HB2 5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 350, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 25 LEU HN 26 ASN HN 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 346, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 25 LEU HN 28 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 LEU HN 28 HIS HB3 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 25 LEU QB 25 LEU QQD 2.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 331, 332,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
# 25 LEU QB 26 ASN HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 331, 332,
 &end
#
# 25 LEU QB 28 HIS HB3 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 331, 332,
 &end
#
# 25 LEU QB 29 LEU QD1 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 331, 332,
 igr2= 402, 403, 404,
 &end
#
# 25 LEU QD1 26 ASN HN 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD2 26 ASN HN 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 340, 341, 342,
 &end
#
# 25 LEU QQD 28 HIS HB2 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 336, 337, 338, 340, 341, 342,
 &end
#
# 25 LEU QQD 28 HIS HB3 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 336, 337, 338, 340, 341, 342,
 &end
#
# 25 LEU QQD 28 HIS HD2 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 336, 337, 338, 340, 341, 342,
 &end
#
# 25 LEU QQD 29 LEU HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 336, 337, 338, 340, 341, 342,
 &end
#
# 25 LEU QQD 32 HIS HD2 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 336, 337, 338, 340, 341, 342,
 &end
#
# 26 ASN HA 27 VAL HA 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 362, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 26 ASN HA 29 LEU HB2 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 397, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 26 ASN HA 29 LEU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ASN HA 29 LEU HG 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 400, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 26 ASN HA 29 LEU HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 393, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 26 ASN HA 29 LEU QD1 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 402, 403, 404,
 &end
#
# 26 ASN HA 29 LEU QD2 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 406, 407, 408,
 &end
#
# 26 ASN HB2 26 ASN HD22 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 356, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 ASN HB2 27 VAL HA 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 362, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 26 ASN HB2 27 VAL HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 26 ASN HB2 27 VAL QQG 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 26 ASN HB3 27 VAL HA 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 362, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 26 ASN HB3 27 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ASN HB3 27 VAL HN 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 360, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 26 ASN HB3 27 VAL QQG 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 26 ASN HB3 29 LEU QD1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 402, 403, 404,
 &end
#
# 26 ASN HD21 27 VAL QQG 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 26 ASN HN 26 ASN HB2 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 26 ASN HN 26 ASN HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 26 ASN HN 27 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ASN HN 27 VAL HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 360, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 26 ASN HN 27 VAL QQG 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 26 ASN HN 29 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ASN HN 29 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 402, 403, 404,
 &end
#
# 27 VAL HA 27 VAL QG1 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 366, 367, 368,
 &end
#
# 27 VAL HA 27 VAL QG2 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 370, 371, 372,
 &end
#
# 27 VAL HA 27 VAL QQG 2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL HA 29 LEU HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 393, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 27 VAL HA 30 ARG HB2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 416, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 27 VAL HA 30 ARG HB3 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 417, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 27 VAL HA 30 ARG HG2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 419, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 27 VAL HA 30 ARG HG3 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 420, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 27 VAL HA 30 ARG HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 412, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 27 VAL HA 30 ARG QD 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 422, 423,
 &end
#
# 27 VAL HA 30 ARG QG 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 419, 420,
 &end
#
# 27 VAL HB 28 HIS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 VAL HB 28 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 VAL HB 28 HIS HN 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 376, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 27 VAL HN 27 VAL HB 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 27 VAL HN 27 VAL QG1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 366, 367, 368,
 &end
#
# 27 VAL HN 27 VAL QG2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 370, 371, 372,
 &end
#
# 27 VAL HN 27 VAL QQG 2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL HN 28 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 VAL HN 28 HIS HB3 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 381, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 27 VAL HN 28 HIS HN 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 376, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 27 VAL HN 29 LEU HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 393, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 27 VAL HN 30 ARG QD 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 422, 423,
 &end
#
# 27 VAL QG1 28 HIS HA 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 366, 367, 368,
 &end
#
# 27 VAL QG1 28 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 366, 367, 368,
 &end
#
# 27 VAL QG1 28 HIS HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 366, 367, 368,
 &end
#
# 27 VAL QG1 30 ARG QD 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 366, 367, 368,
 igr2= 422, 423,
 &end
#
# 27 VAL QG2 28 HIS HA 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 370, 371, 372,
 &end
#
# 27 VAL QG2 28 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 370, 371, 372,
 &end
#
# 27 VAL QG2 28 HIS HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 370, 371, 372,
 &end
#
# 27 VAL QG2 30 ARG QD 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 370, 371, 372,
 igr2= 422, 423,
 &end
#
# 27 VAL QQG 28 HIS HA 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL QQG 28 HIS HB2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL QQG 28 HIS HB3 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL QQG 29 LEU HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL QQG 30 ARG HB2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL QQG 30 ARG HB3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL QQG 30 ARG HN 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 366, 367, 368, 370, 371, 372,
 &end
#
# 27 VAL QQG 30 ARG QD 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 366, 367, 368, 370, 371, 372,
 igr2= 422, 423,
 &end
#
# 27 VAL QQG 30 ARG QG 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
 igr1= 366, 367, 368, 370, 371, 372,
 igr2= 419, 420,
 &end
#
# 27 VAL QQG 31 LYS QE 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 366, 367, 368, 370, 371, 372,
 igr2= 449, 450,
 &end
#
# 28 HIS HA 28 HIS HB2 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 380, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 28 HIS HA 28 HIS HD2 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 389, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 28 HIS HA 29 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 HIS HA 30 ARG HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 412, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 28 HIS HA 31 LYS QB 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 440, 441,
 &end
#
# 28 HIS HA 31 LYS QD 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 446, 447,
 &end
#
# 28 HIS HA 31 LYS QE 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 449, 450,
 &end
#
# 28 HIS HA 31 LYS QG 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 443, 444,
 &end
#
# 28 HIS HB2 29 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 HIS HB2 29 LEU HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 393, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 28 HIS HB3 28 HIS HD2 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 389, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 28 HIS HB3 29 LEU HA 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 395, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 28 HIS HB3 29 LEU HB2 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 28 HIS HB3 29 LEU HG 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 28 HIS HB3 29 LEU HN 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 393, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 28 HIS HB3 29 LEU QD2 5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 406, 407, 408,
 &end
#
# 28 HIS HD2 29 LEU HA 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 395, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 28 HIS HD2 29 LEU HB2 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 28 HIS HD2 29 LEU HB3 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 28 HIS HD2 29 LEU HG 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 400, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 28 HIS HD2 29 LEU HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 28 HIS HD2 29 LEU QD1 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 402, 403, 404,
 &end
#
# 28 HIS HD2 29 LEU QD2 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 406, 407, 408,
 &end
#
# 28 HIS HD2 32 HIS HD2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 471, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 28 HIS HE1 31 LYS QD 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 446, 447,
 &end
#
# 28 HIS HE1 31 LYS QE 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 449, 450,
 &end
#
# 28 HIS HN 28 HIS HB2 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 28 HIS HN 28 HIS HB3 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 28 HIS HN 28 HIS HD2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 389, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 28 HIS HN 29 LEU HB2 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 397, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 28 HIS HN 29 LEU HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 393, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 28 HIS HN 30 ARG HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 412, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 29 LEU HA 29 LEU HG 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 LEU HA 29 LEU QD1 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 402, 403, 404,
 &end
#
# 29 LEU HA 29 LEU QD2 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 406, 407, 408,
 &end
#
# 29 LEU HA 30 ARG HA 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 414, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 29 LEU HA 31 LYS HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 436, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 29 LEU HA 31 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 440, 441,
 &end
#
# 29 LEU HA 31 LYS QG 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 443, 444,
 &end
#
# 29 LEU HA 32 HIS HB2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 462, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 29 LEU HA 32 HIS HB3 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 463, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 29 LEU HA 32 HIS HD2 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 471, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 29 LEU HA 32 HIS HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 458, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 29 LEU HB2 29 LEU QD1 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 402, 403, 404,
 &end
#
# 29 LEU HB2 29 LEU QD2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 406, 407, 408,
 &end
#
# 29 LEU HB2 30 ARG HA 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 414, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 29 LEU HB2 30 ARG HN 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 29 LEU HB2 32 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LEU HB2 32 HIS HD2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 471, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 29 LEU HB2 33 THR QG2 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 481, 482, 483,
 &end
#
# 29 LEU HB3 29 LEU QD1 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 402, 403, 404,
 &end
#
# 29 LEU HB3 29 LEU QD2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 406, 407, 408,
 &end
#
# 29 LEU HB3 30 ARG HA 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 414, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 29 LEU HB3 30 ARG HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 412, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 29 LEU HB3 32 HIS HD2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 471, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 29 LEU HB3 33 THR QG2 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 481, 482, 483,
 &end
#
# 29 LEU HG 30 ARG HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 412, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 29 LEU HG 32 HIS HD2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 471, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 29 LEU HN 29 LEU HB2 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 29 LEU HN 29 LEU HB3 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 398, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 29 LEU HN 29 LEU HG 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 400, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 29 LEU HN 29 LEU QD1 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 402, 403, 404,
 &end
#
# 29 LEU HN 29 LEU QD2 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 406, 407, 408,
 &end
#
# 29 LEU HN 30 ARG HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 414, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 29 LEU HN 30 ARG HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LEU HN 30 ARG HN 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 412, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 29 LEU HN 31 LYS HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 436, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 29 LEU HN 31 LYS QE 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 449, 450,
 &end
#
# 29 LEU HN 31 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 443, 444,
 &end
#
# 29 LEU HN 32 HIS HD2 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 471, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 29 LEU QD1 30 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 402, 403, 404,
 &end
#
# 29 LEU QD1 32 HIS HD2 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 402, 403, 404,
 &end
#
# 29 LEU QD2 30 ARG HN 5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 406, 407, 408,
 &end
#
# 29 LEU QD2 32 HIS HB2 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 406, 407, 408,
 &end
#
# 29 LEU QD2 32 HIS HB3 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 406, 407, 408,
 &end
#
# 29 LEU QD2 32 HIS HD2 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 406, 407, 408,
 &end
#
# 30 ARG HA 30 ARG HG2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 30 ARG HA 30 ARG HG3 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 420, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 30 ARG HA 30 ARG QD 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 422, 423,
 &end
#
# 30 ARG HA 30 ARG QG 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 419, 420,
 &end
#
# 30 ARG HA 32 HIS HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 458, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 30 ARG HA 33 THR QG2 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 481, 482, 483,
 &end
#
# 30 ARG HB2 30 ARG QD 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 422, 423,
 &end
#
# 30 ARG HB2 31 LYS HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 436, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 30 ARG HB3 30 ARG QD 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 422, 423,
 &end
#
# 30 ARG HB3 31 LYS HA 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 438, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 30 ARG HB3 31 LYS HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 436, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 30 ARG HB3 33 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 481, 482, 483,
 &end
#
# 30 ARG HN 30 ARG HB2 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 30 ARG HN 30 ARG HB3 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 30 ARG HN 30 ARG HG2 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 30 ARG HN 30 ARG HG3 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 420, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 30 ARG HN 30 ARG QD 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 422, 423,
 &end
#
# 30 ARG HN 30 ARG QG 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 419, 420,
 &end
#
# 30 ARG HN 31 LYS HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 436, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 30 ARG HN 31 LYS QB 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 440, 441,
 &end
#
# 30 ARG HN 31 LYS QE 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 449, 450,
 &end
#
# 30 ARG HN 33 THR QG2 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 481, 482, 483,
 &end
#
# 30 ARG QD 31 LYS HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 422, 423,
 &end
#
# 30 ARG QG 31 LYS HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 419, 420,
 &end
#
# 31 LYS HA 31 LYS QB 2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 440, 441,
 &end
#
# 31 LYS HA 31 LYS QD 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 446, 447,
 &end
#
# 31 LYS HA 31 LYS QE 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 449, 450,
 &end
#
# 31 LYS HA 31 LYS QG 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 443, 444,
 &end
#
# 31 LYS HA 33 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 481, 482, 483,
 &end
#
# 31 LYS HN 31 LYS QB 2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 440, 441,
 &end
#
# 31 LYS HN 31 LYS QD 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 446, 447,
 &end
#
# 31 LYS HN 31 LYS QE 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 449, 450,
 &end
#
# 31 LYS HN 31 LYS QG 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 443, 444,
 &end
#
# 31 LYS HN 32 HIS HB2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 462, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 31 LYS HN 32 HIS HD2 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 471, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 31 LYS HN 32 HIS HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 458, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 31 LYS QB 31 LYS QE 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 440, 441,
 igr2= 449, 450,
 &end
#
# 31 LYS QB 32 HIS HN 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 440, 441,
 &end
#
# 31 LYS QE 32 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 449, 450,
 &end
#
# 31 LYS QG 31 LYS QE 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 443, 444,
 igr2= 449, 450,
 &end
#
# 31 LYS QG 32 HIS HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 443, 444,
 &end
#
# 32 HIS HB2 32 HIS HD2 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 471, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 32 HIS HB2 33 THR QG2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 481, 482, 483,
 &end
#
# 32 HIS HB3 32 HIS HD2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 471, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 32 HIS HB3 33 THR QG2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 481, 482, 483,
 &end
#
# 32 HIS HN 32 HIS HB2 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 462, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 32 HIS HN 32 HIS HB3 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 463, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 32 HIS HN 32 HIS HD2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 471, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 32 HIS HN 33 THR HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 475, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 32 HIS HN 33 THR QG2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 481, 482, 483,
 &end
#
# 33 THR HA 33 THR QG2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 481, 482, 483,
 &end
#
# 33 THR HA 34 GLY HA2 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 491, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 33 THR HA 34 GLY HA3 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 492, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 33 THR HA 34 GLY QA 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 491, 492,
 &end
#
# 33 THR HB 34 GLY HA2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 THR HB 34 GLY HA3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 THR HB 34 GLY HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 THR HN 33 THR QG2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 481, 482, 483,
 &end
#
# 33 THR QG2 34 GLY HA2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 481, 482, 483,
 &end
#
# 33 THR QG2 34 GLY HA3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 481, 482, 483,
 &end
#
# 34 GLY HA2 35 GLU QB 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 500, 501,
 &end
#
# 34 GLY HA3 35 GLU QB 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 500, 501,
 &end
#
# 34 GLY QA 35 GLU QB 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 491, 492,
 igr2= 500, 501,
 &end
#
# 34 GLY QA 47 LEU QQD 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 491, 492,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 35 GLU HA 35 GLU HG2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 35 GLU HA 35 GLU HG3 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 504, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 35 GLU HA 36 LYS HG2 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 35 GLU HA 36 LYS HG3 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 35 GLU HA 36 LYS HN 2.66
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 511, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
# 35 GLU HA 36 LYS QB 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 515, 516,
 &end
#
# 35 GLU HA 36 LYS QG 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 518, 519,
 &end
#
# 35 GLU HA 37 PHE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU HA 37 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU HA 37 PHE QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 543, 547,
 &end
#
# 35 GLU HA 47 LEU QQD 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 35 GLU HG2 36 LYS HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 511, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 35 GLU HG2 37 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU HG2 37 PHE QE 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 543, 547,
 &end
#
# 35 GLU HG3 36 LYS HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 35 GLU HG3 37 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU HG3 37 PHE QE 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 543, 547,
 &end
#
# 35 GLU HN 35 GLU HG2 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 503, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 35 GLU HN 35 GLU HG3 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 504, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 35 GLU HN 35 GLU QB 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 500, 501,
 &end
#
# 35 GLU HN 35 GLU QG 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 503, 504,
 &end
#
# 35 GLU HN 36 LYS HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 35 GLU QB 36 LYS HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 500, 501,
 &end
#
# 35 GLU QB 36 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 500, 501,
 igr2= 515, 516,
 &end
#
# 35 GLU QB 37 PHE HN 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 500, 501,
 &end
#
# 35 GLU QB 37 PHE HZ 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 500, 501,
 &end
#
# 35 GLU QB 37 PHE QD 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 500, 501,
 igr2= 541, 549,
 &end
#
# 35 GLU QB 37 PHE QE 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 500, 501,
 igr2= 543, 547,
 &end
#
# 35 GLU QG 36 LYS HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 503, 504,
 &end
#
# 35 GLU QG 37 PHE QE 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 503, 504,
 igr2= 543, 547,
 &end
#
# 35 GLU QG 47 LEU QQD 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 503, 504,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 36 LYS HA 36 LYS HD3 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 36 LYS HA 36 LYS QE 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 524, 525,
 &end
#
# 36 LYS HA 36 LYS QG 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 518, 519,
 &end
#
# 36 LYS HA 37 PHE HN 2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 533, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 36 LYS HA 37 PHE QB 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 537, 538,
 &end
#
# 36 LYS HA 37 PHE QD 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 541, 549,
 &end
#
# 36 LYS HA 37 PHE QE 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 543, 547,
 &end
#
# 36 LYS HA 38 ALA HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HA 45 THR HB 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 651, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 36 LYS HA 46 CYS HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 661, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 36 LYS HA 47 LEU QQD 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 36 LYS HD3 37 PHE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HD3 45 THR HB 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 651, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 36 LYS HD3 45 THR QG2 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 653, 654, 655,
 &end
#
# 36 LYS HD3 46 CYS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HD3 47 LEU QQD 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 36 LYS HN 36 LYS HG2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 518, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 36 LYS HN 36 LYS HG3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 519, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 36 LYS HN 36 LYS QB 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 515, 516,
 &end
#
# 36 LYS HN 36 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 524, 525,
 &end
#
# 36 LYS HN 37 PHE HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 533, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 36 LYS HN 37 PHE QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 541, 549,
 &end
#
# 36 LYS HN 47 LEU QQD 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 36 LYS QB 36 LYS QE 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 515, 516,
 igr2= 524, 525,
 &end
#
# 36 LYS QB 37 PHE HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 515, 516,
 &end
#
# 36 LYS QB 37 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= 515, 516,
 igr2= 541, 549,
 &end
#
# 36 LYS QB 45 THR HA 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 515, 516,
 &end
#
# 36 LYS QB 45 THR HB 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 515, 516,
 &end
#
# 36 LYS QB 45 THR QG2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 515, 516,
 igr2= 653, 654, 655,
 &end
#
# 36 LYS QB 46 CYS HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 515, 516,
 &end
#
# 36 LYS QB 47 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= 515, 516,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 36 LYS QE 45 THR HB 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 524, 525,
 &end
#
# 36 LYS QE 45 THR QG2 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 524, 525,
 igr2= 653, 654, 655,
 &end
#
# 36 LYS QE 47 LEU HG 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 524, 525,
 &end
#
# 36 LYS QE 47 LEU QD1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 524, 525,
 igr2= 681, 682, 683,
 &end
#
# 36 LYS QE 47 LEU QD2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 524, 525,
 igr2= 685, 686, 687,
 &end
#
# 36 LYS QE 47 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= 524, 525,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 36 LYS QG 36 LYS QE 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 518, 519,
 igr2= 524, 525,
 &end
#
# 36 LYS QG 37 PHE HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 518, 519,
 &end
#
# 36 LYS QG 45 THR HB 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 518, 519,
 &end
#
# 36 LYS QG 47 LEU QQD 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 518, 519,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 37 PHE HA 37 PHE QD 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 541, 549,
 &end
#
# 37 PHE HA 37 PHE QE 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 543, 547,
 &end
#
# 37 PHE HA 38 ALA HN 2.69
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 553, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 37 PHE HA 38 ALA QB 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 557, 558, 559,
 &end
#
# 37 PHE HA 45 THR QG2 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 653, 654, 655,
 &end
#
# 37 PHE HA 46 CYS HN 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 661, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 37 PHE HA 52 LEU QD2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 761, 762, 763,
 &end
#
# 37 PHE HN 37 PHE QB 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 537, 538,
 &end
#
# 37 PHE HN 37 PHE QD 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 541, 549,
 &end
#
# 37 PHE HN 37 PHE QE 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 543, 547,
 &end
#
# 37 PHE HN 45 THR HA 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 649, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 37 PHE HN 45 THR HB 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 651, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 37 PHE HN 45 THR QG2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 653, 654, 655,
 &end
#
# 37 PHE HN 46 CYS HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 661, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 37 PHE HN 47 LEU QQD 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 37 PHE HN 48 SER HN 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 691, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 37 PHE HN 52 LEU QD2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 761, 762, 763,
 &end
#
# 37 PHE HZ 48 SER HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 PHE HZ 49 LYS QB 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 706, 707,
 &end
#
# 37 PHE HZ 49 LYS QD 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 712, 713,
 &end
#
# 37 PHE HZ 49 LYS QE 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 715, 716,
 &end
#
# 37 PHE HZ 49 LYS QG 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 709, 710,
 &end
#
# 37 PHE QB 37 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 38 ALA HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 45 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 537, 538,
 igr2= 653, 654, 655,
 &end
#
# 37 PHE QB 46 CYS HB3 5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 46 CYS HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 48 SER HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 49 LYS HA 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 52 LEU HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 52 LEU HB2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 52 LEU HB3 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 52 LEU HG 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 52 LEU HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 537, 538,
 &end
#
# 37 PHE QB 52 LEU QD2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 537, 538,
 igr2= 761, 762, 763,
 &end
#
# 37 PHE QD 37 PHE HZ 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 46 CYS HB3 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 46 CYS HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 47 LEU QQD 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 541, 549,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 37 PHE QD 48 SER HA 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 48 SER HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 49 LYS HA 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 49 LYS HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 49 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= 541, 549,
 igr2= 706, 707,
 &end
#
# 37 PHE QD 49 LYS QD 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 541, 549,
 igr2= 712, 713,
 &end
#
# 37 PHE QD 49 LYS QE 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 541, 549,
 igr2= 715, 716,
 &end
#
# 37 PHE QD 49 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= 541, 549,
 igr2= 709, 710,
 &end
#
# 37 PHE QD 52 LEU HB2 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 52 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 541, 549,
 &end
#
# 37 PHE QD 52 LEU QD2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 541, 549,
 igr2= 761, 762, 763,
 &end
#
# 37 PHE QE 48 SER HA 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 543, 547,
 &end
#
# 37 PHE QE 49 LYS HA 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 543, 547,
 &end
#
# 37 PHE QE 49 LYS HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 543, 547,
 &end
#
# 37 PHE QE 49 LYS QB 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 543, 547,
 igr2= 706, 707,
 &end
#
# 37 PHE QE 49 LYS QD 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 543, 547,
 igr2= 712, 713,
 &end
#
# 37 PHE QE 49 LYS QE 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 543, 547,
 igr2= 715, 716,
 &end
#
# 37 PHE QE 49 LYS QG 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 543, 547,
 igr2= 709, 710,
 &end
#
# 37 PHE QE 52 LEU QD2 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 543, 547,
 igr2= 761, 762, 763,
 &end
#
# 38 ALA HA 39 CYM  HA 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 565, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 38 ALA HA 39 CYM  HB3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 567, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 38 ALA HA 39 CYM  HN 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 563, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 38 ALA HA 45 THR QG2 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 653, 654, 655,
 &end
#
# 38 ALA HN 38 ALA QB 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 557, 558, 559,
 &end
#
# 38 ALA HN 45 THR QG2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 653, 654, 655,
 &end
#
# 38 ALA HN 52 LEU QD2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 761, 762, 763,
 &end
#
# 38 ALA QB 39 CYM  HA 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 557, 558, 559,
 &end
#
# 38 ALA QB 39 CYM  HB2 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 557, 558, 559,
 &end
#
# 38 ALA QB 39 CYM  HB3 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 557, 558, 559,
 &end
#
# 38 ALA QB 39 CYM  HN 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 557, 558, 559,
 &end
#
# 38 ALA QB 40 ASP HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 557, 558, 559,
 &end
#
# 38 ALA QB 45 THR HB 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 557, 558, 559,
 &end
#
# 38 ALA QB 45 THR QG2 3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 557, 558, 559,
 igr2= 653, 654, 655,
 &end
#
# 38 ALA QB 46 CYS HN 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 557, 558, 559,
 &end
#
# 39 CYM  HA 40 ASP HN 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 573, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 39 CYM  HA 40 ASP QB 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 577, 578,
 &end
#
# 39 CYM  HA 41 TYR HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 585, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 39 CYM  HA 41 TYR QD 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 593, 602,
 &end
#
# 39 CYM  HA 42 CYM  HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 606, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 39 CYM  HA 44 PHE QD 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 635, 643,
 &end
#
# 39 CYM  HA 52 LEU QD1 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 757, 758, 759,
 &end
#
# 39 CYM  HA 52 LEU QD2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 761, 762, 763,
 &end
#
# 39 CYM  HA 56 ILE QD1 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 835, 836, 837,
 &end
#
# 39 CYM  HB2 40 ASP HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 39 CYM  HB2 41 TYR HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 CYM  HB2 41 TYR HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 39 CYM  HB2 41 TYR QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 593, 602,
 &end
#
# 39 CYM  HB2 42 CYM  HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 606, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 39 CYM  HB2 44 PHE HA 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 629, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 39 CYM  HB2 44 PHE HB2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 631, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 39 CYM  HB2 44 PHE HB3 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 632, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 39 CYM  HB2 44 PHE QD 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 635, 643,
 &end
#
# 39 CYM  HB2 44 PHE QE 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 637, 641,
 &end
#
# 39 CYM  HB2 45 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 653, 654, 655,
 &end
#
# 39 CYM  HB2 52 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 CYM  HB2 52 LEU QD1 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 757, 758, 759,
 &end
#
# 39 CYM  HB2 52 LEU QD2 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 761, 762, 763,
 &end
#
# 39 CYM  HB2 55 HIS HD2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 818, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 39 CYM  HB2 56 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 835, 836, 837,
 &end
#
# 39 CYM  HB3 40 ASP HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 573, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 39 CYM  HB3 41 TYR HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 585, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 39 CYM  HB3 42 CYM  HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 606, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 39 CYM  HB3 44 PHE HA 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 629, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 39 CYM  HB3 44 PHE HB2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 631, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 39 CYM  HB3 44 PHE HB3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 632, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 39 CYM  HB3 44 PHE HN 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 627, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 39 CYM  HB3 44 PHE QD 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 635, 643,
 &end
#
# 39 CYM  HB3 55 HIS HD2 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 818, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 39 CYM  HB3 56 ILE QD1 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 835, 836, 837,
 &end
#
# 39 CYM  HN 39 CYM  HB2 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 39 CYM  HN 39 CYM  HB3 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 39 CYM  HN 40 ASP HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 573, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 39 CYM  HN 42 CYM  HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 606, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 39 CYM  HN 44 PHE HB2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 631, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 39 CYM  HN 44 PHE HB3 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 632, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 39 CYM  HN 44 PHE HN 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 39 CYM  HN 44 PHE QD 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 635, 643,
 &end
#
# 39 CYM  HN 45 THR HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 CYM  HN 45 THR HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 647, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 39 CYM  HN 45 THR QG2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 653, 654, 655,
 &end
#
# 39 CYM  HN 46 CYS HN 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 661, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 39 CYM  HN 52 LEU QD1 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 757, 758, 759,
 &end
#
# 39 CYM  HN 55 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 ASP HB2 41 TYR HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 585, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 40 ASP HB2 41 TYR QD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 593, 602,
 &end
#
# 40 ASP HB2 41 TYR QE 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 595, 600,
 &end
#
# 40 ASP HB3 41 TYR HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 585, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 40 ASP HB3 41 TYR QD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 593, 602,
 &end
#
# 40 ASP HB3 41 TYR QE 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 595, 600,
 &end
#
# 40 ASP HN 40 ASP HB2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 577, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 40 ASP HN 40 ASP HB3 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 578, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 40 ASP HN 40 ASP QB 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 577, 578,
 &end
#
# 40 ASP HN 41 TYR HB2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 589, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 40 ASP HN 41 TYR HN 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 40 ASP HN 41 TYR QD 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 593, 602,
 &end
#
# 40 ASP HN 41 TYR QE 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 595, 600,
 &end
#
# 40 ASP HN 42 CYM  HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 606, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 40 ASP HN 52 LEU QD1 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 757, 758, 759,
 &end
#
# 40 ASP HN 56 ILE QD1 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 835, 836, 837,
 &end
#
# 40 ASP QB 41 TYR QE 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 577, 578,
 igr2= 595, 600,
 &end
#
# 41 TYR HA 41 TYR QD 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 593, 602,
 &end
#
# 41 TYR HA 41 TYR QE 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 595, 600,
 &end
#
# 41 TYR HA 42 CYM  HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 41 TYR HB2 42 CYM  HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 606, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 41 TYR HB2 56 ILE QG2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 828, 829, 830,
 &end
#
# 41 TYR HB2 60 HIS HB2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 900, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 41 TYR HB2 60 HIS HB3 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 901, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 41 TYR HB2 60 HIS HD2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 909, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 41 TYR HB2 60 HIS HE1 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 906, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 41 TYR HB2 60 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 TYR HB3 42 CYM  HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 606, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 41 TYR HB3 60 HIS HD2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 909, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 41 TYR HB3 60 HIS HE1 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 906, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 41 TYR HN 41 TYR HB2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 589, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 41 TYR HN 41 TYR HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 41 TYR HN 41 TYR QD 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 593, 602,
 &end
#
# 41 TYR HN 41 TYR QE 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 595, 600,
 &end
#
# 41 TYR HN 42 CYM  HA 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 608, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 41 TYR HN 42 CYM  HN 2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 606, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 41 TYR HN 52 LEU QD1 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 757, 758, 759,
 &end
#
# 41 TYR HN 56 ILE HG12 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 832, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 41 TYR QD 42 CYM  HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 593, 602,
 &end
#
# 41 TYR QD 56 ILE HA 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 593, 602,
 &end
#
# 41 TYR QD 56 ILE HG12 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 593, 602,
 &end
#
# 41 TYR QD 56 ILE HG13 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 593, 602,
 &end
#
# 41 TYR QD 56 ILE QD1 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 593, 602,
 igr2= 835, 836, 837,
 &end
#
# 41 TYR QD 56 ILE QG2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 593, 602,
 igr2= 828, 829, 830,
 &end
#
# 41 TYR QD 60 HIS HB2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 593, 602,
 &end
#
# 41 TYR QD 60 HIS HB3 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 593, 602,
 &end
#
# 41 TYR QD 60 HIS HD2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 593, 602,
 &end
#
# 41 TYR QD 63 ILE QD1 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 593, 602,
 igr2= 970, 971, 972,
 &end
#
# 41 TYR QD 63 ILE QG2 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 593, 602,
 igr2= 963, 964, 965,
 &end
#
# 41 TYR QE 56 ILE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 600,
 &end
#
# 41 TYR QE 56 ILE HG12 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 595, 600,
 &end
#
# 41 TYR QE 56 ILE HG13 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 595, 600,
 &end
#
# 41 TYR QE 56 ILE QD1 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 595, 600,
 igr2= 835, 836, 837,
 &end
#
# 41 TYR QE 56 ILE QG2 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 595, 600,
 igr2= 828, 829, 830,
 &end
#
# 41 TYR QE 60 HIS HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 595, 600,
 &end
#
# 41 TYR QE 63 ILE QD1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 595, 600,
 igr2= 970, 971, 972,
 &end
#
# 41 TYR QE 63 ILE QG1 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 595, 600,
 igr2= 967, 968,
 &end
#
# 41 TYR QE 63 ILE QG2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 595, 600,
 igr2= 963, 964, 965,
 &end
#
# 42 CYM  HA 44 PHE HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 627, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 42 CYM  HA 60 HIS HE1 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 906, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 42 CYM  HB2 43 SER HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 42 CYM  HB2 43 SER QB 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 620, 621,
 &end
#
# 42 CYM  HB2 44 PHE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 CYM  HB2 44 PHE HB2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 631, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 42 CYM  HB2 44 PHE HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 627, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 42 CYM  HB3 43 SER HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 42 CYM  HB3 44 PHE HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 627, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 42 CYM  HB3 60 HIS HE1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 906, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 42 CYM  HN 42 CYM  HB3 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 610, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 42 CYM  HN 43 SER HN 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 616, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 42 CYM  HN 44 PHE HB3 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 632, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 42 CYM  HN 44 PHE HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 627, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 43 SER HA 45 THR QG2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 653, 654, 655,
 &end
#
# 43 SER HB2 44 PHE HN 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 43 SER HB3 44 PHE HN 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 627, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 43 SER HN 44 PHE HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 43 SER QB 44 PHE HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 620, 621,
 &end
#
# 44 PHE HA 44 PHE QD 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 635, 643,
 &end
#
# 44 PHE HA 45 THR HN 2.61
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 647, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11,  &end
#
# 44 PHE HA 45 THR QG2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 653, 654, 655,
 &end
#
# 44 PHE HA 55 HIS HE1 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 815, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 44 PHE HB2 45 THR HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 647, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 44 PHE HB2 45 THR QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 653, 654, 655,
 &end
#
# 44 PHE HB2 52 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 757, 758, 759,
 &end
#
# 44 PHE HB2 55 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 PHE HB2 55 HIS HE1 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 815, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 44 PHE HB3 45 THR HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 647, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 44 PHE HB3 52 LEU QD1 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 757, 758, 759,
 &end
#
# 44 PHE HB3 55 HIS HD2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 818, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 44 PHE HB3 55 HIS HE1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 815, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 44 PHE HN 44 PHE HB2 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 44 PHE HN 44 PHE HB3 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 44 PHE HN 44 PHE QD 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 635, 643,
 &end
#
# 44 PHE HN 45 THR HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 647, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 44 PHE HN 45 THR QG2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 653, 654, 655,
 &end
#
# 44 PHE HN 55 HIS HE1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 PHE HZ 46 CYS HB2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 665, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 44 PHE HZ 46 CYS HB3 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 666, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 44 PHE HZ 51 HIS QB 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 735, 736,
 &end
#
# 44 PHE HZ 52 LEU HA 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 750, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 44 PHE HZ 55 HIS HB2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 809, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 44 PHE HZ 55 HIS HB3 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 810, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 44 PHE QD 45 THR HA 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 635, 643,
 &end
#
# 44 PHE QD 45 THR HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 635, 643,
 &end
#
# 44 PHE QD 45 THR QG2 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 635, 643,
 igr2= 653, 654, 655,
 &end
#
# 44 PHE QD 46 CYS HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 635, 643,
 &end
#
# 44 PHE QD 52 LEU HA 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 635, 643,
 &end
#
# 44 PHE QD 52 LEU QD1 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 635, 643,
 igr2= 757, 758, 759,
 &end
#
# 44 PHE QD 52 LEU QD2 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 635, 643,
 igr2= 761, 762, 763,
 &end
#
# 44 PHE QD 55 HIS HB2 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 635, 643,
 &end
#
# 44 PHE QD 55 HIS HB3 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 635, 643,
 &end
#
# 44 PHE QD 55 HIS HE1 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 635, 643,
 &end
#
# 44 PHE QE 46 CYS HB2 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 637, 641,
 &end
#
# 44 PHE QE 46 CYS HB3 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 637, 641,
 &end
#
# 44 PHE QE 51 HIS QB 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 637, 641,
 igr2= 735, 736,
 &end
#
# 44 PHE QE 52 LEU HA 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 637, 641,
 &end
#
# 44 PHE QE 52 LEU HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 637, 641,
 &end
#
# 44 PHE QE 52 LEU QD1 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 637, 641,
 igr2= 757, 758, 759,
 &end
#
# 44 PHE QE 55 HIS HB2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 637, 641,
 &end
#
# 44 PHE QE 55 HIS HB3 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 637, 641,
 &end
#
# 44 PHE QE 55 HIS HN 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 637, 641,
 &end
#
# 45 THR HA 45 THR QG2 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 653, 654, 655,
 &end
#
# 45 THR HA 46 CYS HN 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 661, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 45 THR HB 46 CYS HN 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 45 THR HN 45 THR HB 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 45 THR HN 45 THR QG2 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 653, 654, 655,
 &end
#
# 45 THR HN 46 CYS HB2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 665, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 45 THR HN 46 CYS HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 661, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 45 THR QG2 46 CYS HN 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 653, 654, 655,
 &end
#
# 46 CYS HB2 48 SER HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 691, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 46 CYS HB2 51 HIS QB 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 735, 736,
 &end
#
# 46 CYS HB2 52 LEU HA 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 750, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 46 CYS HB2 52 LEU HN 5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 748, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 46 CYS HB3 47 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 46 CYS HB3 48 SER HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 691, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 46 CYS HB3 52 LEU HB2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 752, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 46 CYS HN 46 CYS HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 665, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 47 LEU HB2 48 SER HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 691, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 47 LEU HB3 48 SER HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 691, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 47 LEU HN 47 LEU HG 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 679, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 47 LEU HN 48 SER HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 691, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 47 LEU QB 47 LEU QQD 2.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 676, 677,
 igr2= 681, 682, 683, 685, 686, 687,
 &end
#
# 47 LEU QB 48 SER HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 676, 677,
 &end
#
# 47 LEU QQD 48 SER HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 681, 682, 683, 685, 686, 687,
 &end
#
# 48 SER HA 49 LYS HA 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 704, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 48 SER HA 49 LYS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 SER HA 49 LYS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 SER HA 49 LYS QB 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 706, 707,
 &end
#
# 48 SER HB2 49 LYS HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 48 SER HB2 51 HIS HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 731, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 48 SER HB2 51 HIS QB 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 735, 736,
 &end
#
# 48 SER HB3 49 LYS HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 702, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 48 SER HB3 51 HIS HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 731, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 48 SER HB3 51 HIS QB 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 735, 736,
 &end
#
# 48 SER HN 48 SER HB2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 695, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 48 SER HN 48 SER HB3 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 696, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 48 SER HN 49 LYS HN 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 702, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 48 SER HN 51 HIS QB 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 735, 736,
 &end
#
# 48 SER QB 49 LYS HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 695, 696,
 &end
#
# 48 SER QB 49 LYS HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 695, 696,
 &end
#
# 48 SER QB 51 HIS HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 695, 696,
 &end
#
# 48 SER QB 51 HIS QB 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 695, 696,
 igr2= 735, 736,
 &end
#
# 49 LYS HA 49 LYS QD 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 712, 713,
 &end
#
# 49 LYS HA 49 LYS QG 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 709, 710,
 &end
#
# 49 LYS HA 50 GLY HA3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 LYS HA 52 LEU HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 LYS HA 52 LEU HB2 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 752, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 49 LYS HA 52 LEU HB3 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 753, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 49 LYS HA 52 LEU HG 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 755, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 49 LYS HA 52 LEU HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 748, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 49 LYS HA 52 LEU QD2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 761, 762, 763,
 &end
#
# 49 LYS HA 53 LYS HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 767, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 49 LYS HN 49 LYS QG 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 709, 710,
 &end
#
# 49 LYS QB 49 LYS QD 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 706, 707,
 igr2= 712, 713,
 &end
#
# 49 LYS QB 49 LYS QE 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 706, 707,
 igr2= 715, 716,
 &end
#
# 49 LYS QB 50 GLY HA2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 706, 707,
 &end
#
# 49 LYS QB 50 GLY HA3 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 706, 707,
 &end
#
# 49 LYS QD 49 LYS QE 2.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr1= 712, 713,
 igr2= 715, 716,
 &end
#
# 49 LYS QG 49 LYS QE 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 709, 710,
 igr2= 715, 716,
 &end
#
# 49 LYS QG 50 GLY HA2 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 709, 710,
 &end
#
# 49 LYS QG 50 GLY HA3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 709, 710,
 &end
#
# 50 GLY HA2 53 LYS HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 767, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 50 GLY HA2 53 LYS QB 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 771, 772,
 &end
#
# 50 GLY HA2 53 LYS QD 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 777, 778,
 &end
#
# 50 GLY HA2 54 VAL QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 799, 800, 801,
 &end
#
# 50 GLY HA3 52 LEU HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 748, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 50 GLY HA3 53 LYS HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 767, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 50 GLY HA3 53 LYS QB 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 771, 772,
 &end
#
# 50 GLY HA3 53 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 777, 778,
 &end
#
# 50 GLY HA3 54 VAL QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 799, 800, 801,
 &end
#
# 51 HIS HA 51 HIS HD2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 744, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 51 HIS HA 53 LYS HN 5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 767, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 51 HIS HA 54 VAL HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 HIS HA 54 VAL HB 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 793, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 51 HIS HA 54 VAL HN 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 789, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 51 HIS HA 54 VAL QG1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 795, 796, 797,
 &end
#
# 51 HIS HA 54 VAL QG2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 799, 800, 801,
 &end
#
# 51 HIS HA 55 HIS HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 805, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 51 HIS HD2 52 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 HIS HD2 54 VAL HB 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 793, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 51 HIS HD2 54 VAL QG1 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 795, 796, 797,
 &end
#
# 51 HIS HD2 54 VAL QG2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 799, 800, 801,
 &end
#
# 51 HIS HN 51 HIS HD2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 744, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 51 HIS HN 51 HIS QB 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 735, 736,
 &end
#
# 51 HIS HN 52 LEU HB3 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 753, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 51 HIS HN 53 LYS HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 767, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 51 HIS HN 54 VAL QG2 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 799, 800, 801,
 &end
#
# 51 HIS QB 52 LEU HB2 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 735, 736,
 &end
#
# 51 HIS QB 52 LEU HB3 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 735, 736,
 &end
#
# 51 HIS QB 52 LEU HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 735, 736,
 &end
#
# 51 HIS QB 53 LYS HN 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 735, 736,
 &end
#
# 51 HIS QB 54 VAL HB 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 735, 736,
 &end
#
# 51 HIS QB 54 VAL HN 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 735, 736,
 &end
#
# 51 HIS QB 54 VAL QG1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 735, 736,
 igr2= 795, 796, 797,
 &end
#
# 51 HIS QB 54 VAL QG2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 735, 736,
 igr2= 799, 800, 801,
 &end
#
# 52 LEU HA 52 LEU HG 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 755, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 52 LEU HA 52 LEU QD1 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 757, 758, 759,
 &end
#
# 52 LEU HA 52 LEU QD2 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 761, 762, 763,
 &end
#
# 52 LEU HA 53 LYS HA 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 769, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 52 LEU HA 54 VAL HN 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 789, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 52 LEU HA 55 HIS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 LEU HA 55 HIS HB2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 52 LEU HA 55 HIS HB3 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 810, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 52 LEU HA 55 HIS HD2 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 818, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 52 LEU HA 55 HIS HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 805, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 52 LEU HA 56 ILE HG13 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 833, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 52 LEU HA 56 ILE HN 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 822, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 52 LEU HA 56 ILE QD1 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 835, 836, 837,
 &end
#
# 52 LEU HB2 52 LEU QD1 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 757, 758, 759,
 &end
#
# 52 LEU HB2 52 LEU QD2 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 761, 762, 763,
 &end
#
# 52 LEU HB2 53 LYS HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 767, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 52 LEU HB3 52 LEU QD2 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 761, 762, 763,
 &end
#
# 52 LEU HB3 53 LYS HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 52 LEU HG 53 LYS HA 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 769, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 52 LEU HG 53 LYS HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 767, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 52 LEU HG 55 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 LEU HG 56 ILE HG13 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 833, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 52 LEU HG 56 ILE HN 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 822, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 52 LEU HG 56 ILE QD1 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 835, 836, 837,
 &end
#
# 52 LEU HN 52 LEU HB2 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 52 LEU HN 52 LEU HB3 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 753, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 52 LEU HN 52 LEU HG 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 52 LEU HN 52 LEU QD1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 757, 758, 759,
 &end
#
# 52 LEU HN 52 LEU QD2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 761, 762, 763,
 &end
#
# 52 LEU HN 53 LYS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 LEU HN 53 LYS HN 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 767, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 52 LEU HN 53 LYS QB 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 771, 772,
 &end
#
# 52 LEU HN 54 VAL HN 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 789, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 52 LEU QD1 53 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 757, 758, 759,
 &end
#
# 52 LEU QD1 55 HIS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 757, 758, 759,
 &end
#
# 52 LEU QD1 55 HIS HB2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 757, 758, 759,
 &end
#
# 52 LEU QD1 55 HIS HB3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 757, 758, 759,
 &end
#
# 52 LEU QD1 55 HIS HD2 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 757, 758, 759,
 &end
#
# 52 LEU QD1 56 ILE HG13 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 757, 758, 759,
 &end
#
# 52 LEU QD1 56 ILE HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 757, 758, 759,
 &end
#
# 52 LEU QD1 56 ILE QD1 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 757, 758, 759,
 igr2= 835, 836, 837,
 &end
#
# 52 LEU QD2 53 LYS HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 761, 762, 763,
 &end
#
# 52 LEU QD2 56 ILE HG13 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 761, 762, 763,
 &end
#
# 52 LEU QD2 56 ILE QD1 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 761, 762, 763,
 igr2= 835, 836, 837,
 &end
#
# 53 LYS HA 53 LYS HG2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 774, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 53 LYS HA 53 LYS HG3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 775, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 53 LYS HA 53 LYS QB 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 771, 772,
 &end
#
# 53 LYS HA 53 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 780, 781,
 &end
#
# 53 LYS HA 56 ILE HB 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 826, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 53 LYS HA 56 ILE HG12 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 LYS HA 56 ILE HG13 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 833, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 53 LYS HA 56 ILE HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 822, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 53 LYS HA 56 ILE QD1 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 835, 836, 837,
 &end
#
# 53 LYS HG2 53 LYS QD 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 777, 778,
 &end
#
# 53 LYS HG2 53 LYS QE 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 780, 781,
 &end
#
# 53 LYS HG2 54 VAL HA 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 791, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 53 LYS HG2 54 VAL HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 789, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 53 LYS HG2 54 VAL QG2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 799, 800, 801,
 &end
#
# 53 LYS HG2 55 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 LYS HG2 57 GLU HG2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 848, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 53 LYS HG2 57 GLU HG3 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 849, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 53 LYS HG2 57 GLU HN 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 841, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 53 LYS HG2 57 GLU QG 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 848, 849,
 &end
#
# 53 LYS HG3 53 LYS QE 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 780, 781,
 &end
#
# 53 LYS HG3 54 VAL HA 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 791, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 53 LYS HG3 54 VAL HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 789, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 53 LYS HG3 57 GLU QG 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 848, 849,
 &end
#
# 53 LYS HN 53 LYS HG2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 774, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 53 LYS HN 53 LYS HG3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 775, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 53 LYS HN 53 LYS QB 2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 771, 772,
 &end
#
# 53 LYS HN 53 LYS QD 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 777, 778,
 &end
#
# 53 LYS HN 53 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 780, 781,
 &end
#
# 53 LYS HN 54 VAL HB 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 793, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 53 LYS HN 54 VAL HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 789, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 53 LYS HN 54 VAL QG2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 799, 800, 801,
 &end
#
# 53 LYS HN 56 ILE QD1 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 835, 836, 837,
 &end
#
# 53 LYS QB 53 LYS QD 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 771, 772,
 igr2= 777, 778,
 &end
#
# 53 LYS QB 53 LYS QE 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 771, 772,
 igr2= 780, 781,
 &end
#
# 53 LYS QB 54 VAL HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 771, 772,
 &end
#
# 53 LYS QD 53 LYS QE 2.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 777, 778,
 igr2= 780, 781,
 &end
#
# 53 LYS QD 54 VAL HA 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 777, 778,
 &end
#
# 53 LYS QD 54 VAL HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 777, 778,
 &end
#
# 53 LYS QE 54 VAL HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 780, 781,
 &end
#
# 54 VAL HA 54 VAL QG1 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 795, 796, 797,
 &end
#
# 54 VAL HA 54 VAL QG2 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 799, 800, 801,
 &end
#
# 54 VAL HA 56 ILE HN 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 822, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 54 VAL HA 57 GLU HB2 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 845, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 54 VAL HA 57 GLU HB3 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 846, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 54 VAL HA 57 GLU HG2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 848, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 54 VAL HA 57 GLU HG3 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 849, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 54 VAL HA 57 GLU HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 841, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 54 VAL HA 57 GLU QG 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 848, 849,
 &end
#
# 54 VAL HA 58 ARG HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 856, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 54 VAL HA 58 ARG QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
# 54 VAL HB 55 HIS HA 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 54 VAL HB 55 HIS HB2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 809, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 54 VAL HB 55 HIS HB3 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 810, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 54 VAL HB 55 HIS HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 54 VAL HB 58 ARG QD 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 866, 867,
 &end
#
# 54 VAL HN 54 VAL HB 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 793, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 54 VAL HN 54 VAL QG1 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 795, 796, 797,
 &end
#
# 54 VAL HN 54 VAL QG2 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 799, 800, 801,
 &end
#
# 54 VAL HN 55 HIS HB3 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 810, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 54 VAL HN 55 HIS HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 805, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 54 VAL HN 56 ILE HN 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 822, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 54 VAL HN 57 GLU HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 841, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 54 VAL QG1 55 HIS HA 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 55 HIS HB2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 55 HIS HB3 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 55 HIS HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 57 GLU HB2 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 57 GLU HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 58 ARG HB2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 58 ARG HB3 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 58 ARG HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 795, 796, 797,
 &end
#
# 54 VAL QG1 58 ARG QD 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 795, 796, 797,
 igr2= 866, 867,
 &end
#
# 54 VAL QG2 55 HIS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 799, 800, 801,
 &end
#
# 54 VAL QG2 55 HIS HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 799, 800, 801,
 &end
#
# 54 VAL QG2 57 GLU HB2 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 799, 800, 801,
 &end
#
# 54 VAL QG2 57 GLU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 799, 800, 801,
 &end
#
# 54 VAL QG2 57 GLU QG 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 799, 800, 801,
 igr2= 848, 849,
 &end
#
# 54 VAL QG2 58 ARG QD 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 799, 800, 801,
 igr2= 866, 867,
 &end
#
# 55 HIS HA 55 HIS HD2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 818, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 55 HIS HA 56 ILE HA 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 824, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 55 HIS HA 56 ILE HG13 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 833, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 55 HIS HA 58 ARG HB3 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 861, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 55 HIS HA 58 ARG HG2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 863, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 55 HIS HA 58 ARG HG3 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 864, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 55 HIS HA 58 ARG HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 856, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 55 HIS HA 58 ARG QD 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 866, 867,
 &end
#
# 55 HIS HA 59 VAL HB 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 884, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 55 HIS HA 59 VAL HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 880, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 55 HIS HA 59 VAL QQG 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 55 HIS HA 60 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 HIS HB2 55 HIS HE1 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 815, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 55 HIS HB2 56 ILE HG13 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 833, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 55 HIS HB2 56 ILE HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 822, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 55 HIS HB2 59 VAL QQG 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 55 HIS HB3 56 ILE HG13 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 810, 833, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 55 HIS HB3 56 ILE HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 810, 822, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 55 HIS HB3 56 ILE QD1 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 835, 836, 837,
 &end
#
# 55 HIS HB3 59 VAL QQG 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 55 HIS HD2 56 ILE HA 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 824, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 55 HIS HD2 56 ILE HB 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 826, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 55 HIS HD2 56 ILE HG12 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 832, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 55 HIS HD2 56 ILE HG13 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 833, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 55 HIS HD2 56 ILE HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 822, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 55 HIS HD2 56 ILE QD1 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 835, 836, 837,
 &end
#
# 55 HIS HD2 60 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 HIS HD2 60 HIS HD2 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 909, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 55 HIS HE1 59 VAL HB 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 815, 884, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 55 HIS HE1 59 VAL QG1 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 886, 887, 888,
 &end
#
# 55 HIS HE1 59 VAL QG2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 890, 891, 892,
 &end
#
# 55 HIS HE1 59 VAL QQG 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 55 HIS HN 55 HIS HB2 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 809, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 55 HIS HN 55 HIS HB3 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 810, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 55 HIS HN 55 HIS HD2 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 818, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 55 HIS HN 56 ILE HG13 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 55 HIS HN 56 ILE HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 822, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 55 HIS HN 58 ARG QD 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 866, 867,
 &end
#
# 56 ILE HA 56 ILE HG12 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 832, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 56 ILE HA 56 ILE HG13 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 833, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 56 ILE HA 56 ILE QD1 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 835, 836, 837,
 &end
#
# 56 ILE HA 56 ILE QG2 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 828, 829, 830,
 &end
#
# 56 ILE HA 58 ARG HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 856, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 56 ILE HA 59 VAL HB 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 884, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 56 ILE HA 59 VAL HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 880, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 56 ILE HA 59 VAL QG1 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 886, 887, 888,
 &end
#
# 56 ILE HA 59 VAL QG2 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 890, 891, 892,
 &end
#
# 56 ILE HA 59 VAL QQG 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 56 ILE HA 60 HIS HA 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 898, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 56 ILE HA 60 HIS HB2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 900, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 56 ILE HA 60 HIS HB3 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 901, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 56 ILE HA 60 HIS HD2 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 909, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 56 ILE HA 60 HIS HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 896, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 56 ILE HA 61 LYS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 917, 918,
 &end
#
# 56 ILE HB 56 ILE QD1 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 835, 836, 837,
 &end
#
# 56 ILE HB 57 GLU HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 841, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 56 ILE HB 57 GLU QG 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 848, 849,
 &end
#
# 56 ILE HB 60 HIS HD2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 909, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 56 ILE HG12 60 HIS HB2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 900, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 56 ILE HG12 60 HIS HD2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 909, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 56 ILE HG13 57 GLU HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 833, 841, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 56 ILE HG13 60 HIS HD2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 833, 909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 56 ILE HN 56 ILE HB 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 56 ILE HN 56 ILE HG12 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 832, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 56 ILE HN 56 ILE HG13 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 833, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 56 ILE HN 56 ILE QD1 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 835, 836, 837,
 &end
#
# 56 ILE HN 56 ILE QG2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 828, 829, 830,
 &end
#
# 56 ILE HN 57 GLU HA 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 843, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 56 ILE HN 57 GLU HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 841, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 56 ILE HN 58 ARG HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 856, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 56 ILE HN 60 HIS HD2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 909, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 56 ILE QD1 57 GLU HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 835, 836, 837,
 &end
#
# 56 ILE QD1 60 HIS HB2 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 835, 836, 837,
 &end
#
# 56 ILE QD1 60 HIS HD2 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 835, 836, 837,
 &end
#
# 56 ILE QG2 56 ILE HG12 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 56 ILE HG13 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 56 ILE QD1 2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 828, 829, 830,
 igr2= 835, 836, 837,
 &end
#
# 56 ILE QG2 57 GLU HA 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 57 GLU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 57 GLU HN 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 57 GLU QG 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 828, 829, 830,
 igr2= 848, 849,
 &end
#
# 56 ILE QG2 58 ARG HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 59 VAL HN 5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 60 HIS HA 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 60 HIS HB2 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 60 HIS HB3 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 60 HIS HD2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 60 HIS HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 61 LYS HA 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 828, 829, 830,
 &end
#
# 56 ILE QG2 61 LYS QB 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 828, 829, 830,
 igr2= 917, 918,
 &end
#
# 57 GLU HA 57 GLU HG2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 848, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 57 GLU HA 57 GLU HG3 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 849, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 57 GLU HA 57 GLU QG 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 848, 849,
 &end
#
# 57 GLU HA 61 LYS HA 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 915, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 57 GLU HA 61 LYS HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 GLU HA 61 LYS HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 GLU HA 61 LYS HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 913, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 57 GLU HA 61 LYS QB 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 917, 918,
 &end
#
# 57 GLU HA 61 LYS QD 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 923, 924,
 &end
#
# 57 GLU HA 61 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
# 57 GLU HB2 58 ARG HN 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 856, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 57 GLU HB2 61 LYS QB 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 917, 918,
 &end
#
# 57 GLU HB3 58 ARG HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 GLU HB3 58 ARG HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 856, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 57 GLU HG2 58 ARG HN 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 856, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 57 GLU HG3 58 ARG HN 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 856, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 57 GLU HN 57 GLU HB2 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 845, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 57 GLU HN 57 GLU HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 846, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 57 GLU HN 57 GLU HG2 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 848, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 57 GLU HN 57 GLU HG3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 849, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 57 GLU HN 58 ARG HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 856, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 57 GLU HN 58 ARG QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 863, 864,
 &end
#
# 57 GLU HN 59 VAL QQG 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 GLU HN 61 LYS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 917, 918,
 &end
#
# 57 GLU QG 58 ARG HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 848, 849,
 &end
#
# 58 ARG HA 58 ARG QD 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 866, 867,
 &end
#
# 58 ARG HA 59 VAL QQG 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 ARG HA 60 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 ARG HA 61 LYS QE 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 926, 927,
 &end
#
# 58 ARG HB2 58 ARG QD 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 866, 867,
 &end
#
# 58 ARG HB2 59 VAL HA 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 882, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 58 ARG HB3 58 ARG QD 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 866, 867,
 &end
#
# 58 ARG HB3 59 VAL HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 ARG HB3 59 VAL QQG 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 ARG HG2 59 VAL QG1 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 886, 887, 888,
 &end
#
# 58 ARG HG2 59 VAL QG2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 890, 891, 892,
 &end
#
# 58 ARG HG3 59 VAL QG1 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 886, 887, 888,
 &end
#
# 58 ARG HG3 59 VAL QG2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 890, 891, 892,
 &end
#
# 58 ARG HN 58 ARG HB2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 860, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 58 ARG HN 58 ARG HB3 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 861, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 58 ARG HN 58 ARG HG2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 863, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 58 ARG HN 58 ARG HG3 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 864, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 58 ARG HN 58 ARG QD 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 866, 867,
 &end
#
# 58 ARG HN 58 ARG QG 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 863, 864,
 &end
#
# 58 ARG HN 59 VAL HB 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 884, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 58 ARG HN 59 VAL QQG 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 ARG HN 60 HIS HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 896, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 58 ARG QD 59 VAL HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 866, 867,
 &end
#
# 58 ARG QD 59 VAL QQG 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 866, 867,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 ARG QG 59 VAL HA 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 863, 864,
 &end
#
# 58 ARG QG 59 VAL HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1= 863, 864,
 &end
#
# 58 ARG QG 59 VAL QQG 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 863, 864,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 59 VAL HA 59 VAL QG1 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 886, 887, 888,
 &end
#
# 59 VAL HA 59 VAL QG2 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 890, 891, 892,
 &end
#
# 59 VAL HA 59 VAL QQG 2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 59 VAL HB 60 HIS HB2 5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 59 VAL HB 60 HIS HD2 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 909, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 59 VAL HB 60 HIS HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 896, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 59 VAL HN 59 VAL HB 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 59 VAL HN 59 VAL QG1 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 886, 887, 888,
 &end
#
# 59 VAL HN 59 VAL QG2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 890, 891, 892,
 &end
#
# 59 VAL HN 59 VAL QQG 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 59 VAL HN 60 HIS HA 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 898, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 59 VAL HN 60 HIS HD2 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 909, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 59 VAL HN 60 HIS HN 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 896, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 59 VAL HN 61 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 913, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 59 VAL QG1 60 HIS HD2 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 886, 887, 888,
 &end
#
# 59 VAL QG1 60 HIS HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 886, 887, 888,
 &end
#
# 59 VAL QG2 60 HIS HD2 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 890, 891, 892,
 &end
#
# 59 VAL QG2 60 HIS HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 890, 891, 892,
 &end
#
# 59 VAL QQG 60 HIS HA 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 59 VAL QQG 60 HIS HB2 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 59 VAL QQG 60 HIS HB3 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 59 VAL QQG 60 HIS HE1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 59 VAL QQG 60 HIS HN 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 60 HIS HA 60 HIS HD2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 909, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 60 HIS HA 61 LYS HN 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 60 HIS HB2 60 HIS HD2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 909, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 60 HIS HB2 61 LYS HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 913, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 60 HIS HB2 63 ILE QD1 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 970, 971, 972,
 &end
#
# 60 HIS HB2 63 ILE QG2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 963, 964, 965,
 &end
#
# 60 HIS HB3 60 HIS HD2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 909, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 60 HIS HB3 61 LYS HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 913, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 60 HIS HB3 63 ILE HB 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 961, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 60 HIS HB3 63 ILE QD1 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 970, 971, 972,
 &end
#
# 60 HIS HB3 63 ILE QG1 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 967, 968,
 &end
#
# 60 HIS HB3 63 ILE QG2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 963, 964, 965,
 &end
#
# 60 HIS HE1 63 ILE QD1 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 970, 971, 972,
 &end
#
# 60 HIS HN 60 HIS HB2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 900, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 60 HIS HN 60 HIS HB3 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 901, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 60 HIS HN 60 HIS HD2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 909, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 60 HIS HN 61 LYS HA 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 915, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 60 HIS HN 61 LYS HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 913, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 60 HIS HN 61 LYS QB 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 917, 918,
 &end
#
# 61 LYS HA 61 LYS QD 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 923, 924,
 &end
#
# 61 LYS HA 61 LYS QG 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 920, 921,
 &end
#
# 61 LYS HA 62 LYS HN 2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 935, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 61 LYS HN 61 LYS HB2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 917, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 61 LYS HN 61 LYS HB3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 918, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 61 LYS HN 61 LYS HG2 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 61 LYS HN 61 LYS HG3 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 921, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 61 LYS HN 61 LYS QB 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 917, 918,
 &end
#
# 61 LYS HN 61 LYS QD 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 923, 924,
 &end
#
# 61 LYS HN 61 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
# 61 LYS HN 61 LYS QG 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 920, 921,
 &end
#
# 61 LYS QD 62 LYS HA 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 923, 924,
 &end
#
# 61 LYS QE 62 LYS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 926, 927,
 &end
#
# 61 LYS QG 61 LYS QE 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 920, 921,
 igr2= 926, 927,
 &end
#
# 61 LYS QG 62 LYS HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 920, 921,
 &end
#
# 62 LYS HA 62 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 948, 949,
 &end
#
# 62 LYS HA 62 LYS QG 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 942, 943,
 &end
#
# 62 LYS HA 63 ILE HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 LYS HA 63 ILE HN 2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 957, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 62 LYS HA 63 ILE HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 957, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 62 LYS HA 63 ILE QG2 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 963, 964, 965,
 &end
#
# 62 LYS HB2 63 ILE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 939, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 LYS HB3 63 ILE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 LYS QB 62 LYS QE 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 939, 940,
 igr2= 948, 949,
 &end
#
# 62 LYS QG 63 ILE HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 942, 943,
 &end
#
# 63 ILE HA 63 ILE HG12 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 967, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 63 ILE HA 63 ILE HG13 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 968, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 63 ILE HA 63 ILE QD1 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 970, 971, 972,
 &end
#
# 63 ILE HA 63 ILE QG2 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 963, 964, 965,
 &end
#
# 63 ILE HA 64 LYS HN 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 976, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 63 ILE HA 64 LYS HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 976, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 63 ILE HB 63 ILE QD1 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 970, 971, 972,
 &end
#
# 63 ILE HB 64 LYS HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 961, 976, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 63 ILE HN 63 ILE HB 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 961, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 63 ILE HN 63 ILE HG12 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 967, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 63 ILE HN 63 ILE HG13 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 968, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 63 ILE HN 63 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
# 63 ILE HN 63 ILE QG1 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 967, 968,
 &end
#
# 63 ILE HN 63 ILE QG2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 963, 964, 965,
 &end
#
# 63 ILE QD1 65 GLN QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 970, 971, 972,
 igr2=1005,1006,
 &end
#
# 63 ILE QG1 64 LYS HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 967, 968,
 &end
#
# 63 ILE QG1 64 LYS QB 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 967, 968,
 igr2= 980, 981,
 &end
#
# 63 ILE QG1 64 LYS QG 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 967, 968,
 igr2= 983, 984,
 &end
#
# 63 ILE QG2 63 ILE HG12 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 963, 964, 965,
 &end
#
# 63 ILE QG2 63 ILE HG13 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 963, 964, 965,
 &end
#
# 63 ILE QG2 63 ILE QG1 2.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 963, 964, 965,
 igr2= 967, 968,
 &end
#
# 63 ILE QG2 64 LYS HA 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 963, 964, 965,
 &end
#
# 63 ILE QG2 64 LYS HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 963, 964, 965,
 &end
#
# 63 ILE QG2 65 GLN HA 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 963, 964, 965,
 &end
#
# 63 ILE QG2 65 GLN QE2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 963, 964, 965,
 igr2=1010,1011,
 &end
#
# 63 ILE QG2 65 GLN QG 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 963, 964, 965,
 igr2=1005,1006,
 &end
#
# 64 LYS HA 64 LYS HG2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 983, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 64 LYS HA 64 LYS HG3 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 984, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 64 LYS HA 64 LYS QG 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 983, 984,
 &end
#
# 64 LYS HA 74 TYR HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1162, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 64 LYS HN 64 LYS QB 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 980, 981,
 &end
#
# 64 LYS HN 64 LYS QG 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 983, 984,
 &end
#
# 64 LYS QB 64 LYS QE 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 980, 981,
 igr2= 989, 990,
 &end
#
# 64 LYS QB 73 LYS QG 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 980, 981,
 igr2=1147,1148,
 &end
#
# 64 LYS QB 74 TYR HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 980, 981,
 &end
#
# 65 GLN HA 65 GLN HG2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1005, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 65 GLN HA 65 GLN HG3 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1006, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 65 GLN HA 65 GLN QE2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1010,1011,
 &end
#
# 65 GLN HA 65 GLN QG 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1005,1006,
 &end
#
# 65 GLN HA 66 HIS HN 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1015, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 65 GLN HA 66 HIS QB 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1019,1020,
 &end
#
# 65 GLN HA 80 LEU QQD 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 65 GLN HB2 66 HIS HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1015, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 65 GLN HB2 74 TYR HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1162, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 65 GLN HB3 66 HIS HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1015, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 65 GLN HB3 74 TYR HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1162, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 65 GLN HG2 77 VAL HA 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1208, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 65 GLN HG3 77 VAL HA 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1208, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 65 GLN QB 65 GLN QE2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1002,1003,
 igr2=1010,1011,
 &end
#
# 65 GLN QB 66 HIS HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=1002,1003,
 &end
#
# 65 GLN QB 74 TYR HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1002,1003,
 &end
#
# 65 GLN QB 74 TYR QB 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1002,1003,
 igr2=1166,1167,
 &end
#
# 65 GLN QB 74 TYR QD 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1002,1003,
 igr2=1170,1179,
 &end
#
# 65 GLN QB 77 VAL HA 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1002,1003,
 &end
#
# 65 GLN QB 80 LEU HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1002,1003,
 &end
#
# 65 GLN QB 80 LEU HB2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1002,1003,
 &end
#
# 65 GLN QB 80 LEU HB3 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1002,1003,
 &end
#
# 65 GLN QB 80 LEU QQD 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1002,1003,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 65 GLN QE2 77 VAL HB 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1010,1011,
 &end
#
# 65 GLN QE2 77 VAL QG2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1010,1011,
 igr2=1216,1217,1218,
 &end
#
# 65 GLN QE2 80 LEU QQD 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=1010,1011,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 65 GLN QG 65 GLN QE2 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1005,1006,
 igr2=1010,1011,
 &end
#
# 65 GLN QG 66 HIS HN 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1005,1006,
 &end
#
# 65 GLN QG 74 TYR HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1005,1006,
 &end
#
# 65 GLN QG 77 VAL HA 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1005,1006,
 &end
#
# 65 GLN QG 77 VAL QG1 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1005,1006,
 igr2=1212,1213,1214,
 &end
#
# 65 GLN QG 77 VAL QG2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1005,1006,
 igr2=1216,1217,1218,
 &end
#
# 65 GLN QG 80 LEU QQD 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1005,1006,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 66 HIS HA 67 CYM  HB2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1037, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 66 HIS HA 67 CYM  HB3 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1036, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 66 HIS HA 67 CYM  HN 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1032, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 66 HIS HA 71 LYS HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1098, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 66 HIS HA 73 LYS HA 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1142, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 66 HIS HA 73 LYS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 HIS HA 73 LYS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 HIS HA 73 LYS QG 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1147,1148,
 &end
#
# 66 HIS HA 74 TYR HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1162, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 66 HIS HA 74 TYR QD 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1170,1179,
 &end
#
# 66 HIS HA 80 LEU QD1 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1267,1268,1269,
 &end
#
# 66 HIS HA 80 LEU QD2 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1271,1272,1273,
 &end
#
# 66 HIS HA 80 LEU QQD 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 66 HIS HD2 68 ARG HA 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1044, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 66 HIS HD2 68 ARG QB 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1046,1047,
 &end
#
# 66 HIS HD2 71 LYS HA 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1098, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 66 HIS HD2 71 LYS QD 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=1106,1107,
 &end
#
# 66 HIS HN 66 HIS HD2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1028, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 66 HIS HN 66 HIS QB 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1019,1020,
 &end
#
# 66 HIS HN 67 CYM  HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1032, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 66 HIS HN 80 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1267,1268,1269,
 &end
#
# 66 HIS HN 80 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1271,1272,1273,
 &end
#
# 66 HIS HN 80 LEU QQD 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 66 HIS QB 66 HIS HE1 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1019,1020,
 &end
#
# 66 HIS QB 67 CYM  HB3 5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1019,1020,
 &end
#
# 66 HIS QB 67 CYM  HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1019,1020,
 &end
#
# 66 HIS QB 71 LYS HA 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1019,1020,
 &end
#
# 66 HIS QB 71 LYS QB 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1=1019,1020,
 igr2=1100,1101,
 &end
#
# 66 HIS QB 73 LYS HA 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1019,1020,
 &end
#
# 66 HIS QB 73 LYS HG2 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1019,1020,
 &end
#
# 66 HIS QB 73 LYS HG3 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1019,1020,
 &end
#
# 66 HIS QB 73 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=1019,1020,
 igr2=1144,1145,
 &end
#
# 66 HIS QB 73 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1019,1020,
 igr2=1150,1151,
 &end
#
# 66 HIS QB 73 LYS QG 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1019,1020,
 igr2=1147,1148,
 &end
#
# 66 HIS QB 74 TYR HN 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1019,1020,
 &end
#
# 67 CYM  HA 80 LEU QD1 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1267,1268,1269,
 &end
#
# 67 CYM  HA 80 LEU QD2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1271,1272,1273,
 &end
#
# 67 CYM  HA 80 LEU QQD 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 67 CYM  HA 83 HIS HD2 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1034,1331, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 67 CYM  HA 84 ILE QD1 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1348,1349,1350,
 &end
#
# 67 CYM  HB2 70 CYM  HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1086, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 67 CYM  HB2 71 LYS HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1096, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 67 CYM  HB2 72 LYS HB2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1122, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 67 CYM  HB2 72 LYS HB3 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1123, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 67 CYM  HB2 72 LYS HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1118, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 67 CYM  HB2 74 TYR QE 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1172,1177,
 &end
#
# 67 CYM  HB2 80 LEU QD1 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1267,1268,1269,
 &end
#
# 67 CYM  HB2 80 LEU QD2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1271,1272,1273,
 &end
#
# 67 CYM  HB2 80 LEU QQD 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 67 CYM  HB2 83 HIS HD2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1331, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 67 CYM  HB2 84 ILE QD1 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1348,1349,1350,
 &end
#
# 67 CYM  HB3 69 PHE QB 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1070,1071,
 &end
#
# 67 CYM  HB3 69 PHE QD 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=1074,1082,
 &end
#
# 67 CYM  HB3 70 CYM  HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1086, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 67 CYM  HB3 71 LYS HA 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1098, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 67 CYM  HB3 71 LYS HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1096, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 67 CYM  HB3 72 LYS HB2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1122, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 67 CYM  HB3 72 LYS HB3 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1123, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 67 CYM  HB3 72 LYS HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1118, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 67 CYM  HB3 72 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1125,1126,
 &end
#
# 67 CYM  HB3 74 TYR QE 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1172,1177,
 &end
#
# 67 CYM  HB3 80 LEU QQD 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 67 CYM  HB3 83 HIS HD2 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1331, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 67 CYM  HB3 84 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1348,1349,1350,
 &end
#
# 67 CYM  HN 67 CYM  HB2 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1037, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 67 CYM  HN 67 CYM  HB3 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1036, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 67 CYM  HN 71 LYS HA 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1098, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 67 CYM  HN 71 LYS HN 5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1096, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 67 CYM  HN 72 LYS HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1118, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 67 CYM  HN 73 LYS HA 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1142, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 67 CYM  HN 74 TYR HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 67 CYM  HN 74 TYR QD 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1170,1179,
 &end
#
# 67 CYM  HN 74 TYR QE 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1172,1177,
 &end
#
# 67 CYM  HN 80 LEU QQD 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 68 ARG HA 68 ARG HG2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1049, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 68 ARG HA 68 ARG HG3 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1050, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 68 ARG HA 68 ARG QD 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1052,1053,
 &end
#
# 68 ARG HA 68 ARG QG 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1049,1050,
 &end
#
# 68 ARG HD2 69 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 68 ARG HD2 69 PHE QE 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1076,1080,
 &end
#
# 68 ARG HD3 69 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 68 ARG HD3 69 PHE QE 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1076,1080,
 &end
#
# 68 ARG HG2 69 PHE QD 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1074,1082,
 &end
#
# 68 ARG HG2 69 PHE QE 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1076,1080,
 &end
#
# 68 ARG HG3 69 PHE QD 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1074,1082,
 &end
#
# 68 ARG HG3 69 PHE QE 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1076,1080,
 &end
#
# 68 ARG HN 68 ARG QG 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1049,1050,
 &end
#
# 68 ARG HN 69 PHE HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1066, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 68 ARG QB 68 ARG QD 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1046,1047,
 igr2=1052,1053,
 &end
#
# 68 ARG QD 69 PHE HA 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1052,1053,
 &end
#
# 68 ARG QD 69 PHE QE 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1052,1053,
 igr2=1076,1080,
 &end
#
# 68 ARG QG 69 PHE HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1049,1050,
 &end
#
# 68 ARG QG 69 PHE QD 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1049,1050,
 igr2=1074,1082,
 &end
#
# 68 ARG QG 69 PHE QE 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1049,1050,
 igr2=1076,1080,
 &end
#
# 69 PHE HA 69 PHE QD 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1074,1082,
 &end
#
# 69 PHE HA 69 PHE QE 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1076,1080,
 &end
#
# 69 PHE HB2 70 CYM  HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1086, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 69 PHE HB2 88 HIS HE1 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1410, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 69 PHE HB3 70 CYM  HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1071,1086, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 69 PHE HB3 88 HIS HE1 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1071,1410, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 69 PHE HN 69 PHE HB2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 69 PHE HN 69 PHE HB3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1071, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 69 PHE HN 69 PHE QB 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1070,1071,
 &end
#
# 69 PHE HN 69 PHE QD 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1074,1082,
 &end
#
# 69 PHE HN 70 CYM  HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1086, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 69 PHE HN 71 LYS HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1096, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 69 PHE HZ 84 ILE QD1 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1348,1349,1350,
 &end
#
# 69 PHE HZ 84 ILE QG2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1341,1342,1343,
 &end
#
# 69 PHE HZ 88 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 PHE QB 70 CYM  HN 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1=1070,1071,
 &end
#
# 69 PHE QB 71 LYS HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1070,1071,
 &end
#
# 69 PHE QB 84 ILE QG2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1070,1071,
 igr2=1341,1342,1343,
 &end
#
# 69 PHE QB 88 HIS HD2 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1070,1071,
 &end
#
# 69 PHE QD 70 CYM  HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1074,1082,
 &end
#
# 69 PHE QD 84 ILE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1074,1082,
 &end
#
# 69 PHE QD 84 ILE HG12 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1074,1082,
 &end
#
# 69 PHE QD 84 ILE HG13 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1074,1082,
 &end
#
# 69 PHE QD 84 ILE QD1 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1074,1082,
 igr2=1348,1349,1350,
 &end
#
# 69 PHE QD 84 ILE QG2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1074,1082,
 igr2=1341,1342,1343,
 &end
#
# 69 PHE QD 88 HIS HB2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1074,1082,
 &end
#
# 69 PHE QD 88 HIS HB3 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1074,1082,
 &end
#
# 69 PHE QD 88 HIS HD2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1074,1082,
 &end
#
# 69 PHE QE 84 ILE HG12 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1076,1080,
 &end
#
# 69 PHE QE 84 ILE HG13 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1076,1080,
 &end
#
# 69 PHE QE 84 ILE QD1 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1076,1080,
 igr2=1348,1349,1350,
 &end
#
# 69 PHE QE 84 ILE QG2 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1076,1080,
 igr2=1341,1342,1343,
 &end
#
# 69 PHE QE 88 HIS HB2 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1076,1080,
 &end
#
# 69 PHE QE 88 HIS HB3 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1076,1080,
 &end
#
# 69 PHE QE 88 HIS HD2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1076,1080,
 &end
#
# 70 CYM  HA 71 LYS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 70 CYM  HA 71 LYS QG 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1103,1104,
 &end
#
# 70 CYM  HA 72 LYS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 70 CYM  HA 72 LYS HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1118, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 70 CYM  HA 88 HIS HE1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1410, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 70 CYM  HB2 71 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 70 CYM  HB3 71 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1090,1096, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 70 CYM  HN 70 CYM  HB2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 70 CYM  HN 70 CYM  HB3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1090, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 70 CYM  HN 71 LYS HA 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1098, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 70 CYM  HN 72 LYS HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1118, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 70 CYM  HN 88 HIS HE1 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1410, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 70 CYM  QB 72 LYS HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1091,1090,
 &end
#
# 70 CYM  QB 88 HIS HE1 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1410, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1=1091,1090,
 &end
#
# 71 LYS HA 71 LYS HG2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1098,1103, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 71 LYS HA 71 LYS HG3 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1098,1104, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 71 LYS HA 71 LYS QD 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1106,1107,
 &end
#
# 71 LYS HA 71 LYS QG 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1103,1104,
 &end
#
# 71 LYS HN 71 LYS HB2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1100, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 71 LYS HN 71 LYS HB3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1101, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 71 LYS HN 71 LYS HD2 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1106, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 71 LYS HN 71 LYS HD3 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1107, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 71 LYS HN 71 LYS HG2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1103, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 71 LYS HN 71 LYS HG3 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1104, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 71 LYS HN 71 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1096,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1109,1110,
 &end
#
# 71 LYS HN 71 LYS QG 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1096,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=1103,1104,
 &end
#
# 71 LYS HN 72 LYS HN 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1118, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 71 LYS QB 71 LYS QD 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1100,1101,
 igr2=1106,1107,
 &end
#
# 71 LYS QB 72 LYS HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1100,1101,
 &end
#
# 72 LYS HA 72 LYS HG2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 72 LYS HA 72 LYS HG3 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1126, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 72 LYS HA 72 LYS QE 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1131,1132,
 &end
#
# 72 LYS HA 72 LYS QG 2.94
 &rst
  ixpk= 0, nxpk= 0, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=1125,1126,
 &end
#
# 72 LYS HA 73 LYS HN 2.90
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1140, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 72 LYS HA 73 LYS QB 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1144,1145,
 &end
#
# 72 LYS HA 73 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1147,1148,
 &end
#
# 72 LYS HA 74 TYR QE 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1172,1177,
 &end
#
# 72 LYS HB2 72 LYS QE 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1131,1132,
 &end
#
# 72 LYS HB2 74 TYR QD 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1170,1179,
 &end
#
# 72 LYS HB2 74 TYR QE 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=1172,1177,
 &end
#
# 72 LYS HB3 72 LYS HD2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1128, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 72 LYS HB3 72 LYS HD3 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1129, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 72 LYS HB3 72 LYS QD 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1128,1129,
 &end
#
# 72 LYS HB3 72 LYS QE 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1131,1132,
 &end
#
# 72 LYS HB3 73 LYS HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1140, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 72 LYS HB3 74 TYR QD 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1170,1179,
 &end
#
# 72 LYS HB3 74 TYR QE 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1172,1177,
 &end
#
# 72 LYS HD2 74 TYR QE 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1128,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1172,1177,
 &end
#
# 72 LYS HD3 74 TYR QE 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1172,1177,
 &end
#
# 72 LYS HG2 72 LYS QE 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1131,1132,
 &end
#
# 72 LYS HG2 74 TYR QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1172,1177,
 &end
#
# 72 LYS HG3 72 LYS QE 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1126,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1131,1132,
 &end
#
# 72 LYS HG3 74 TYR QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1126,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1172,1177,
 &end
#
# 72 LYS HN 72 LYS HB2 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1122, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 72 LYS HN 72 LYS HB3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1123, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 72 LYS HN 72 LYS HG2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1125, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 72 LYS HN 72 LYS HG3 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1126, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 72 LYS HN 72 LYS QD 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1128,1129,
 &end
#
# 72 LYS HN 72 LYS QG 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1125,1126,
 &end
#
# 72 LYS HN 74 TYR QD 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=1170,1179,
 &end
#
# 72 LYS HN 74 TYR QE 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1172,1177,
 &end
#
# 72 LYS QD 83 HIS HE1 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1128,1129,
 &end
#
# 72 LYS QD 87 ALA QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1128,1129,
 igr2=1394,1395,1396,
 &end
#
# 72 LYS QE 74 TYR QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1=1131,1132,
 igr2=1172,1177,
 &end
#
# 72 LYS QG 72 LYS QE 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1125,1126,
 igr2=1131,1132,
 &end
#
# 72 LYS QG 73 LYS HN 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1125,1126,
 &end
#
# 72 LYS QG 74 TYR QE 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1125,1126,
 igr2=1172,1177,
 &end
#
# 73 LYS HA 73 LYS HG2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1147, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 73 LYS HA 73 LYS HG3 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1148, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 73 LYS HA 73 LYS QD 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1150,1151,
 &end
#
# 73 LYS HA 74 TYR HN 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 73 LYS HA 74 TYR QD 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1170,1179,
 &end
#
# 73 LYS HA 80 LEU QQD 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 73 LYS HB2 73 LYS QE 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1153,1154,
 &end
#
# 73 LYS HB2 74 TYR HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 73 LYS HB3 73 LYS QE 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1153,1154,
 &end
#
# 73 LYS HB3 74 TYR HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 73 LYS HG2 73 LYS QE 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1153,1154,
 &end
#
# 73 LYS HG2 74 TYR HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1147,1162, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 73 LYS HG3 73 LYS QE 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1153,1154,
 &end
#
# 73 LYS HG3 74 TYR HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1148,1162, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 73 LYS HN 73 LYS HB2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1144, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 73 LYS HN 73 LYS HB3 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1145, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 73 LYS HN 73 LYS HG2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1147, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 73 LYS HN 73 LYS HG3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1148, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 73 LYS HN 73 LYS QD 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1150,1151,
 &end
#
# 73 LYS HN 73 LYS QG 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1147,1148,
 &end
#
# 73 LYS HN 74 TYR QD 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1170,1179,
 &end
#
# 73 LYS HN 74 TYR QE 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1172,1177,
 &end
#
# 73 LYS QB 73 LYS QE 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1144,1145,
 igr2=1153,1154,
 &end
#
# 73 LYS QB 74 TYR HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1144,1145,
 &end
#
# 73 LYS QB 74 TYR QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1144,1145,
 igr2=1170,1179,
 &end
#
# 73 LYS QE 74 TYR HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1153,1154,
 &end
#
# 73 LYS QG 74 TYR HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1147,1148,
 &end
#
# 74 TYR HA 74 TYR QD 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1170,1179,
 &end
#
# 74 TYR HA 74 TYR QE 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1172,1177,
 &end
#
# 74 TYR HB2 80 LEU HA 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1260, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 74 TYR HB2 80 LEU HB2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1262, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 74 TYR HB2 80 LEU HB3 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1263, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 74 TYR HB2 80 LEU HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 74 TYR HB2 80 LEU QD1 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1267,1268,1269,
 &end
#
# 74 TYR HB2 80 LEU QD2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1271,1272,1273,
 &end
#
# 74 TYR HB3 80 LEU HA 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1260, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 74 TYR HB3 80 LEU HB2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1262, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 74 TYR HB3 80 LEU HB3 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1263, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 74 TYR HB3 80 LEU HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 74 TYR HB3 80 LEU QD1 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1267,1268,1269,
 &end
#
# 74 TYR HB3 80 LEU QD2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1271,1272,1273,
 &end
#
# 74 TYR HN 74 TYR HB2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1162,1166, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 74 TYR HN 74 TYR HB3 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1162,1167, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 74 TYR HN 74 TYR QD 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1162,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1170,1179,
 &end
#
# 74 TYR HN 74 TYR QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1162,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1172,1177,
 &end
#
# 74 TYR HN 80 LEU QQD 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1162,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 74 TYR QB 77 VAL HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1166,1167,
 &end
#
# 74 TYR QB 79 ASN QB 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1166,1167,
 igr2=1248,1249,
 &end
#
# 74 TYR QB 80 LEU HB2 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1166,1167,
 &end
#
# 74 TYR QB 80 LEU HB3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1166,1167,
 &end
#
# 74 TYR QB 80 LEU HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1166,1167,
 &end
#
# 74 TYR QB 80 LEU QQD 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1166,1167,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 74 TYR QD 79 ASN HB2 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1170,1179,
 &end
#
# 74 TYR QD 79 ASN HB3 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1170,1179,
 &end
#
# 74 TYR QD 79 ASN HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1170,1179,
 &end
#
# 74 TYR QD 80 LEU HA 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1170,1179,
 &end
#
# 74 TYR QD 80 LEU HB2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1170,1179,
 &end
#
# 74 TYR QD 80 LEU HB3 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1170,1179,
 &end
#
# 74 TYR QD 80 LEU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1170,1179,
 &end
#
# 74 TYR QD 80 LEU QD1 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1170,1179,
 igr2=1267,1268,1269,
 &end
#
# 74 TYR QD 80 LEU QD2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1170,1179,
 igr2=1271,1272,1273,
 &end
#
# 74 TYR QD 80 LEU QQD 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1170,1179,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 74 TYR QE 79 ASN HB2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1172,1177,
 &end
#
# 74 TYR QE 79 ASN HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1172,1177,
 &end
#
# 74 TYR QE 79 ASN QB 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1172,1177,
 igr2=1248,1249,
 &end
#
# 74 TYR QE 80 LEU HA 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1172,1177,
 &end
#
# 74 TYR QE 80 LEU QQD 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1172,1177,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 74 TYR QE 83 HIS HA 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1172,1177,
 &end
#
# 74 TYR QE 83 HIS HB2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1172,1177,
 &end
#
# 74 TYR QE 83 HIS HB3 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1172,1177,
 &end
#
# 74 TYR QE 83 HIS HD2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1172,1177,
 &end
#
# 74 TYR QE 83 HIS HN 5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1172,1177,
 &end
#
# 76 ASP HA 77 VAL HA 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 76 ASP HA 77 VAL HB 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1210, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 76 ASP HA 77 VAL QG1 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1212,1213,1214,
 &end
#
# 76 ASP HA 78 LYS HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1222, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 76 ASP HB2 78 LYS HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1222, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 76 ASP HB2 79 ASN HD21 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1253, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 76 ASP HB2 79 ASN HD22 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1254, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 76 ASP HB2 79 ASN HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1244, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 76 ASP HB3 78 LYS HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1222, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 76 ASP HB3 79 ASN HD21 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1253, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 76 ASP HB3 79 ASN HD22 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1254, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 76 ASP HB3 79 ASN HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1244, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 76 ASP HN 76 ASP QB 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1198,1199,
 &end
#
# 76 ASP QB 78 LYS HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1198,1199,
 &end
#
# 77 VAL HA 77 VAL QG2 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1208,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1216,1217,1218,
 &end
#
# 77 VAL HA 79 ASN HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1244, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 77 VAL HA 80 LEU HA 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1260, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 77 VAL HA 80 LEU HB2 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1262, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 77 VAL HA 80 LEU HB3 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1263, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 77 VAL HA 80 LEU HG 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1265, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 77 VAL HA 80 LEU HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1258, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 77 VAL HA 80 LEU QD1 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1208,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1267,1268,1269,
 &end
#
# 77 VAL HA 80 LEU QD2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1208,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1271,1272,1273,
 &end
#
# 77 VAL HA 80 LEU QQD 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1208,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 77 VAL HA 81 ILE HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1277, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 77 VAL HA 81 ILE QD1 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1208,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1290,1291,1292,
 &end
#
# 77 VAL HB 78 LYS HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1222, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 77 VAL HN 77 VAL QG1 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1212,1213,1214,
 &end
#
# 77 VAL HN 77 VAL QG2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1216,1217,1218,
 &end
#
# 77 VAL HN 78 LYS HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1222, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 77 VAL QG1 78 LYS HA 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1212,1213,1214,
 &end
#
# 77 VAL QG1 78 LYS HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1212,1213,1214,
 &end
#
# 77 VAL QG1 78 LYS QB 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1212,1213,1214,
 igr2=1226,1227,
 &end
#
# 77 VAL QG1 78 LYS QG 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1212,1213,1214,
 igr2=1229,1230,
 &end
#
# 77 VAL QG1 79 ASN HN 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1212,1213,1214,
 &end
#
# 77 VAL QG1 81 ILE HG12 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1212,1213,1214,
 &end
#
# 77 VAL QG1 81 ILE HG13 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1212,1213,1214,
 &end
#
# 77 VAL QG2 78 LYS HA 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1216,1217,1218,
 &end
#
# 77 VAL QG2 78 LYS HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1216,1217,1218,
 &end
#
# 77 VAL QG2 81 ILE HA 5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1216,1217,1218,
 &end
#
# 77 VAL QG2 81 ILE HG12 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1216,1217,1218,
 &end
#
# 77 VAL QG2 81 ILE HG13 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1216,1217,1218,
 &end
#
# 77 VAL QG2 81 ILE HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1216,1217,1218,
 &end
#
# 77 VAL QG2 81 ILE QD1 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1216,1217,1218,
 igr2=1290,1291,1292,
 &end
#
# 78 LYS HA 78 LYS HG2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1229, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 78 LYS HA 78 LYS HG3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1230, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 78 LYS HA 78 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1235,1236,
 &end
#
# 78 LYS HA 79 ASN HA 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1246, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 78 LYS HA 81 ILE HB 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1281, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 78 LYS HA 81 ILE HG12 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1287, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 78 LYS HA 81 ILE HG13 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1288, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 78 LYS HA 81 ILE HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1277, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 78 LYS HA 81 ILE QD1 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1290,1291,1292,
 &end
#
# 78 LYS HB2 79 ASN HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1244, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 78 LYS HB3 79 ASN HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 78 LYS HG2 78 LYS QE 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1235,1236,
 &end
#
# 78 LYS HG3 78 LYS QE 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1235,1236,
 &end
#
# 78 LYS HN 78 LYS HB2 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1226, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 78 LYS HN 78 LYS HB3 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 78 LYS HN 78 LYS HG2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1229, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 78 LYS HN 78 LYS HG3 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1230, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 78 LYS HN 78 LYS QB 2.96
 &rst
  ixpk= 0, nxpk= 0, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=1226,1227,
 &end
#
# 78 LYS HN 78 LYS QG 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1229,1230,
 &end
#
# 78 LYS HN 79 ASN HN 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1244, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 78 LYS HN 79 ASN QB 5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1248,1249,
 &end
#
# 78 LYS HN 80 LEU HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1258, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 78 LYS QB 78 LYS QE 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1226,1227,
 igr2=1235,1236,
 &end
#
# 78 LYS QB 79 ASN HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1226,1227,
 &end
#
# 78 LYS QB 79 ASN QB 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1226,1227,
 igr2=1248,1249,
 &end
#
# 78 LYS QG 78 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=1229,1230,
 igr2=1235,1236,
 &end
#
# 79 ASN HA 80 LEU HA 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1260, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 79 ASN HA 81 ILE HG12 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 ASN HA 81 ILE HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1277, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 79 ASN HA 82 LYS HN 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1296, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 79 ASN HA 82 LYS QB 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1300,1301,
 &end
#
# 79 ASN HA 82 LYS QD 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1306,1307,
 &end
#
# 79 ASN HA 83 HIS HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1318, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 79 ASN HB2 80 LEU HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1258, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 79 ASN HB2 82 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
# 79 ASN HB3 80 LEU HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1258, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 79 ASN HB3 82 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
# 79 ASN HN 79 ASN HB2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 79 ASN HN 79 ASN HB3 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 79 ASN HN 79 ASN QB 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=1248,1249,
 &end
#
# 79 ASN HN 80 LEU HB3 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79 ASN HN 80 LEU HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1258, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 79 ASN HN 81 ILE HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1277, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 79 ASN HN 82 LYS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 ASN QB 80 LEU HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1248,1249,
 &end
#
# 79 ASN QB 81 ILE HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1248,1249,
 &end
#
# 79 ASN QB 82 LYS QB 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1248,1249,
 igr2=1300,1301,
 &end
#
# 80 LEU HA 80 LEU HG 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1265, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 80 LEU HA 80 LEU QD1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1267,1268,1269,
 &end
#
# 80 LEU HA 80 LEU QD2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1271,1272,1273,
 &end
#
# 80 LEU HA 80 LEU QQD 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU HA 81 ILE HA 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 80 LEU HA 82 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
# 80 LEU HA 83 HIS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 LEU HA 83 HIS HB2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1322, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 80 LEU HA 83 HIS HB3 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1323, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 80 LEU HA 83 HIS HN 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1318, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 80 LEU HA 84 ILE HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1335, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 80 LEU HB2 80 LEU QD1 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1267,1268,1269,
 &end
#
# 80 LEU HB2 80 LEU QD2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1271,1272,1273,
 &end
#
# 80 LEU HB2 81 ILE HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 80 LEU HB3 80 LEU QD1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1267,1268,1269,
 &end
#
# 80 LEU HB3 80 LEU QD2 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1271,1272,1273,
 &end
#
# 80 LEU HB3 80 LEU QQD 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU HB3 81 ILE HB 5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1281, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 80 LEU HB3 81 ILE HG13 5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1288, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 80 LEU HB3 81 ILE HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 80 LEU HB3 81 ILE QD1 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1290,1291,1292,
 &end
#
# 80 LEU HB3 81 ILE QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1283,1284,1285,
 &end
#
# 80 LEU HG 81 ILE HA 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1279, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 80 LEU HG 81 ILE HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1277, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 80 LEU HG 83 HIS HB3 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1323, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 80 LEU HG 83 HIS HD2 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1331, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 80 LEU HG 84 ILE QD1 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1348,1349,1350,
 &end
#
# 80 LEU HN 80 LEU HB2 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1262, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 80 LEU HN 80 LEU HB3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1263, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 80 LEU HN 80 LEU HG 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1265, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 80 LEU HN 80 LEU QD1 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1267,1268,1269,
 &end
#
# 80 LEU HN 80 LEU QD2 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1271,1272,1273,
 &end
#
# 80 LEU HN 80 LEU QQD 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU HN 81 ILE HG12 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 LEU HN 81 ILE HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1277, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 80 LEU QD1 81 ILE HA 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1267,1268,1269,
 &end
#
# 80 LEU QD1 84 ILE QD1 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1267,1268,1269,
 igr2=1348,1349,1350,
 &end
#
# 80 LEU QD2 81 ILE HA 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1271,1272,1273,
 &end
#
# 80 LEU QD2 84 ILE QD1 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1271,1272,1273,
 igr2=1348,1349,1350,
 &end
#
# 80 LEU QQD 81 ILE HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 83 HIS HB2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 83 HIS HB3 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 83 HIS HD2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 83 HIS HN 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 84 ILE HB 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 84 ILE HG12 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 84 ILE HG13 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 84 ILE HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 80 LEU QQD 84 ILE QD1 2.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1267,1268,1269,1271,1272,1273,
 igr2=1348,1349,1350,
 &end
#
# 81 ILE HA 81 ILE HG12 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1287, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 81 ILE HA 81 ILE HG13 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1288, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 81 ILE HA 81 ILE QD1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1290,1291,1292,
 &end
#
# 81 ILE HA 81 ILE QG2 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1283,1284,1285,
 &end
#
# 81 ILE HA 83 HIS HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1318, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 81 ILE HA 84 ILE HB 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1339, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 81 ILE HA 84 ILE HG13 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1346, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 81 ILE HA 84 ILE HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1335, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 81 ILE HA 84 ILE QD1 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1348,1349,1350,
 &end
#
# 81 ILE HA 84 ILE QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1341,1342,1343,
 &end
#
# 81 ILE HA 85 ARG HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1354, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 81 ILE HB 81 ILE QD1 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1290,1291,1292,
 &end
#
# 81 ILE HB 82 LYS HN 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1296, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 81 ILE HG12 82 LYS HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1296, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 81 ILE HG13 82 LYS HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1288,1296, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 81 ILE HN 81 ILE HB 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1281, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 81 ILE HN 81 ILE HG12 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1287, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 81 ILE HN 81 ILE HG13 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1288, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 81 ILE HN 81 ILE QD1 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1290,1291,1292,
 &end
#
# 81 ILE HN 81 ILE QG2 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1283,1284,1285,
 &end
#
# 81 ILE HN 82 LYS HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1296, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 81 ILE HN 83 HIS HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1318, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 81 ILE HN 84 ILE HN 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1335, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 81 ILE HN 84 ILE QD1 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1348,1349,1350,
 &end
#
# 81 ILE QD1 82 LYS HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1290,1291,1292,
 &end
#
# 81 ILE QD1 84 ILE HB 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1290,1291,1292,
 &end
#
# 81 ILE QG2 81 ILE HG12 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=1283,1284,1285,
 &end
#
# 81 ILE QG2 81 ILE HG13 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1=1283,1284,1285,
 &end
#
# 81 ILE QG2 82 LYS HA 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1283,1284,1285,
 &end
#
# 81 ILE QG2 82 LYS HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1283,1284,1285,
 &end
#
# 81 ILE QG2 82 LYS QB 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1283,1284,1285,
 igr2=1300,1301,
 &end
#
# 81 ILE QG2 83 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1283,1284,1285,
 &end
#
# 81 ILE QG2 84 ILE HB 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1283,1284,1285,
 &end
#
# 81 ILE QG2 85 ARG HG3 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1283,1284,1285,
 &end
#
# 81 ILE QG2 85 ARG HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1283,1284,1285,
 &end
#
# 81 ILE QG2 85 ARG QB 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=1283,1284,1285,
 igr2=1358,1359,
 &end
#
# 81 ILE QG2 85 ARG QD 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1283,1284,1285,
 igr2=1364,1365,
 &end
#
# 82 LYS HA 82 LYS HG2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1303, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 82 LYS HA 82 LYS HG3 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1304, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 82 LYS HA 82 LYS QB 2.85
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr2=1300,1301,
 &end
#
# 82 LYS HA 82 LYS QD 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1306,1307,
 &end
#
# 82 LYS HA 82 LYS QE 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1309,1310,
 &end
#
# 82 LYS HA 82 LYS QG 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1303,1304,
 &end
#
# 82 LYS HA 84 ILE HN 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1335, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 82 LYS HA 85 ARG HG2 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1361, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 82 LYS HA 85 ARG HG3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1362, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 82 LYS HA 85 ARG HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1354, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 82 LYS HA 85 ARG QB 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1358,1359,
 &end
#
# 82 LYS HA 85 ARG QD 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1364,1365,
 &end
#
# 82 LYS HA 86 ASP HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1378, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 82 LYS HN 82 LYS HG2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1303, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 82 LYS HN 82 LYS HG3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1304, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 82 LYS HN 82 LYS QB 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2=1300,1301,
 &end
#
# 82 LYS HN 82 LYS QD 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1306,1307,
 &end
#
# 82 LYS HN 82 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1309,1310,
 &end
#
# 82 LYS HN 82 LYS QG 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1303,1304,
 &end
#
# 82 LYS HN 83 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 82 LYS HN 83 HIS HB3 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1323, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 82 LYS HN 83 HIS HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1318, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 82 LYS HN 84 ILE HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1335, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 82 LYS QB 82 LYS QD 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1300,1301,
 igr2=1306,1307,
 &end
#
# 82 LYS QB 82 LYS QE 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1300,1301,
 igr2=1309,1310,
 &end
#
# 82 LYS QB 83 HIS HA 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1300,1301,
 &end
#
# 82 LYS QB 83 HIS HB2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1300,1301,
 &end
#
# 82 LYS QB 83 HIS HN 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=1300,1301,
 &end
#
# 82 LYS QG 83 HIS HA 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1303,1304,
 &end
#
# 82 LYS QG 83 HIS HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1303,1304,
 &end
#
# 83 HIS HA 85 ARG HN 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1320,1354, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 83 HIS HA 86 ASP HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1320,1378, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 83 HIS HA 86 ASP QB 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1382,1383,
 &end
#
# 83 HIS HA 87 ALA HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1320,1390, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 83 HIS HA 87 ALA QB 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1394,1395,1396,
 &end
#
# 83 HIS HA 88 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1320,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 83 HIS HB2 84 ILE HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1335, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 83 HIS HB2 87 ALA QB 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1394,1395,1396,
 &end
#
# 83 HIS HB3 84 ILE HG13 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1346, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 83 HIS HB3 84 ILE HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1335, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 83 HIS HD2 84 ILE HA 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1337, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 83 HIS HD2 84 ILE HB 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1339, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 83 HIS HD2 84 ILE HG12 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1345, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 83 HIS HD2 84 ILE HG13 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1346, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 83 HIS HD2 84 ILE HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1335, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 83 HIS HD2 84 ILE QD1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1348,1349,1350,
 &end
#
# 83 HIS HD2 84 ILE QG2 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1341,1342,1343,
 &end
#
# 83 HIS HD2 87 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1394,1395,1396,
 &end
#
# 83 HIS HD2 88 HIS HD2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1413, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 83 HIS HE1 87 ALA QB 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1394,1395,1396,
 &end
#
# 83 HIS HN 83 HIS HB2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1318,1322, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 83 HIS HN 83 HIS HB3 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=1318,1323, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 83 HIS HN 83 HIS HD2 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1318,1331, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 83 HIS HN 84 ILE HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1318,1335, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 84 ILE HA 84 ILE HG12 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1345, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 84 ILE HA 84 ILE HG13 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1346, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 84 ILE HA 84 ILE QD1 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1348,1349,1350,
 &end
#
# 84 ILE HA 84 ILE QG2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1341,1342,1343,
 &end
#
# 84 ILE HA 87 ALA HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1390, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 84 ILE HA 87 ALA QB 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1394,1395,1396,
 &end
#
# 84 ILE HA 88 HIS HB2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1404, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 84 ILE HA 88 HIS HB3 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1405, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 84 ILE HA 88 HIS HD2 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1413, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 84 ILE HA 88 HIS HN 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1400, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 84 ILE HB 84 ILE QD1 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1348,1349,1350,
 &end
#
# 84 ILE HB 85 ARG HA 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1356, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 84 ILE HB 85 ARG HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1354, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 84 ILE HB 88 HIS HD2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1413, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 84 ILE HG12 88 HIS HD2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1345,1413, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 84 ILE HG13 85 ARG HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1354, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 84 ILE HG13 88 HIS HD2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1413, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 84 ILE HN 84 ILE HB 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1339, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 84 ILE HN 84 ILE HG12 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1345, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 84 ILE HN 84 ILE HG13 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1346, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 84 ILE HN 84 ILE QD1 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1348,1349,1350,
 &end
#
# 84 ILE HN 84 ILE QG2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1341,1342,1343,
 &end
#
# 84 ILE HN 85 ARG HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1354, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 84 ILE HN 86 ASP HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1378, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 84 ILE HN 88 HIS HD2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1413, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 84 ILE QD1 85 ARG HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1348,1349,1350,
 &end
#
# 84 ILE QD1 88 HIS HB2 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1348,1349,1350,
 &end
#
# 84 ILE QD1 88 HIS HD2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1348,1349,1350,
 &end
#
# 84 ILE QG2 84 ILE HG12 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 84 ILE HG13 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 84 ILE QD1 2.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1341,1342,1343,
 igr2=1348,1349,1350,
 &end
#
# 84 ILE QG2 85 ARG HA 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 85 ARG HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 85 ARG QB 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1341,1342,1343,
 igr2=1358,1359,
 &end
#
# 84 ILE QG2 85 ARG QD 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1341,1342,1343,
 igr2=1364,1365,
 &end
#
# 84 ILE QG2 86 ASP HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 88 HIS HB2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 88 HIS HB3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 88 HIS HD2 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 88 HIS HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 89 ASP HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 89 ASP QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1341,1342,1343,
 igr2=1421,1422,
 &end
#
# 84 ILE QG2 90 PRO HD2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1341,1342,1343,
 &end
#
# 84 ILE QG2 90 PRO HD3 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1341,1342,1343,
 &end
#
# 85 ARG HA 85 ARG HG2 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 85 ARG HA 85 ARG HG3 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1362, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 85 ARG HA 85 ARG QD 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1364,1365,
 &end
#
# 85 ARG HA 88 HIS HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 85 ARG HA 89 ASP HB2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1421, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 85 ARG HA 89 ASP HB3 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1422, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 85 ARG HA 89 ASP HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1417, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 85 ARG HA 89 ASP QB 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=1421,1422,
 &end
#
# 85 ARG HA 90 PRO HD2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1430, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 85 ARG HA 90 PRO HD3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1431, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 85 ARG HG2 86 ASP HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1378, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 85 ARG HG3 86 ASP HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1378, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 85 ARG HN 85 ARG HG2 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1361, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 85 ARG HN 85 ARG HG3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1362, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 85 ARG HN 85 ARG QB 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=1354,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1358,1359,
 &end
#
# 85 ARG HN 85 ARG QD 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1354,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1364,1365,
 &end
#
# 85 ARG HN 86 ASP HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 85 ARG HN 86 ASP HN 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1378, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 85 ARG HN 86 ASP QB 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1354,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1382,1383,
 &end
#
# 85 ARG HN 87 ALA HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1390, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 85 ARG HN 88 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 85 ARG QB 85 ARG HG2 2.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr1=1358,1359,
 &end
#
# 85 ARG QB 85 ARG QD 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1358,1359,
 igr2=1364,1365,
 &end
#
# 85 ARG QB 86 ASP HA 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1358,1359,
 &end
#
# 85 ARG QB 86 ASP HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1358,1359,
 &end
#
# 85 ARG QB 86 ASP HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1358,1359,
 &end
#
# 85 ARG QB 86 ASP HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1=1358,1359,
 &end
#
# 85 ARG QB 86 ASP QB 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1358,1359,
 igr2=1382,1383,
 &end
#
# 85 ARG QB 90 PRO HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1358,1359,
 &end
#
# 85 ARG QD 86 ASP HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1364,1365,
 &end
#
# 86 ASP HA 87 ALA QB 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1394,1395,1396,
 &end
#
# 86 ASP HA 88 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 ASP HB2 87 ALA HA 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1392, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 86 ASP HB2 87 ALA HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1390, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 86 ASP HB2 87 ALA QB 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1394,1395,1396,
 &end
#
# 86 ASP HB3 87 ALA HA 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1392, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 86 ASP HB3 87 ALA HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1390, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 86 ASP HB3 87 ALA QB 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1394,1395,1396,
 &end
#
# 86 ASP HN 86 ASP HB2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1382, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 86 ASP HN 86 ASP HB3 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1383, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 86 ASP HN 86 ASP QB 3.04
 &rst
  ixpk= 0, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1382,1383,
 &end
#
# 86 ASP HN 87 ALA HN 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1390, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 86 ASP HN 87 ALA QB 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1394,1395,1396,
 &end
#
# 86 ASP HN 88 HIS HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1400, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 86 ASP HN 89 ASP HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1417, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 86 ASP QB 87 ALA HA 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1382,1383,
 &end
#
# 86 ASP QB 87 ALA HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1382,1383,
 &end
#
# 86 ASP QB 87 ALA QB 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1382,1383,
 igr2=1394,1395,1396,
 &end
#
# 87 ALA HN 87 ALA QB 2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1394,1395,1396,
 &end
#
# 87 ALA HN 88 HIS HN 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1400, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 87 ALA HN 89 ASP HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1417, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 87 ALA QB 88 HIS HB3 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1394,1395,1396,
 &end
#
# 87 ALA QB 88 HIS HD2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1394,1395,1396,
 &end
#
# 87 ALA QB 88 HIS HE1 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1410, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1394,1395,1396,
 &end
#
# 87 ALA QB 88 HIS HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1394,1395,1396,
 &end
#
# 88 HIS HA 89 ASP HN 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 88 HIS HB2 88 HIS HD2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1413, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 88 HIS HB2 89 ASP HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1417, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 88 HIS HB3 89 ASP HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1405,1417, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 88 HIS HN 88 HIS HB2 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 88 HIS HN 88 HIS HB3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1405, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 88 HIS HN 88 HIS HD2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1413, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 88 HIS HN 89 ASP HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1417, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 89 ASP HB2 90 PRO HD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1430, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 89 ASP HB2 90 PRO HD3 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1431, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 89 ASP HB3 90 PRO HD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1430, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 89 ASP HB3 90 PRO HD3 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1431, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 89 ASP HN 89 ASP HB2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1421, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 89 ASP HN 89 ASP HB3 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1422, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 89 ASP HN 90 PRO HD2 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 ASP HN 90 PRO HD3 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1431, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 89 ASP QB 90 PRO HD2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1421,1422,
 &end
#
# 89 ASP QB 90 PRO HD3 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1421,1422,
 &end
#
# 90 PRO HA 91 GLN HN 3.13
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1443, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 90 PRO QB 91 GLN HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1443, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1436,1437,
 &end
#
# 90 PRO QB 92 ASP HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1436,1437,
 &end
#
# 91 GLN HA 91 GLN QG 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1445,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1450,1451,
 &end
#
# 91 GLN HA 92 ASP HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1460, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 91 GLN HB2 92 ASP HN 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1460, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 91 GLN HB3 92 ASP HN 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1460, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 91 GLN HN 91 GLN QB 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1443,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1447,1448,
 &end
#
# 91 GLN HN 91 GLN QG 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1443,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1450,1451,
 &end
#
# 91 GLN HN 92 ASP HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1460, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 91 GLN QB 92 ASP HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1447,1448,
 &end
#
# 92 ASP HN 92 ASP HB2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1464, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 92 ASP HN 92 ASP HB3 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1465, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 92 ASP HN 92 ASP QB 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1464,1465,
 &end
# 1474 atoms read from pdb file leap.pdb.
# 11 LYS PHI:  (10 TYR C)-(11 LYS N)-(11 LYS CA)-(11 LYS C) -135.0 -75.0
 &rst     iat =   123,   125,   127,   145,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 11 LYS PSI:  (11 LYS N)-(11 LYS CA)-(11 LYS C)-(12 CYM N)  91.0 151.0
 &rst     iat =   125,   127,   145,   147,
   r1 =  90.0, r2 =  91.0, r3 = 151.0, r4 = 152.0,
 &end
# 12 CYS CHI1:  (12 CYM N)-(12 CYM CA)-(12 CYM CB)-(12 CYM SG) 150.0 210.0
 &rst     iat =   147,   149,   151,   154,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 12 CYS PHI:  (11 LYS C)-(12 CYM N)-(12 CYM CA)-(12 CYM C) -141.0 -81.0
 &rst     iat =   145,   147,   149,   155,
   r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
 &end
# 12 CYS PSI:  (12 CYM N)-(12 CYM CA)-(12 CYM C)-(13 PRO N) 102.0 162.0
 &rst     iat =   147,   149,   155,   157,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end
# 15 CYS CHI1:  (15 CYM N)-(15 CYM CA)-(15 CYM CB)-(15 CYM SG)  30.0  90.0
 &rst     iat =   188,   190,   192,   195,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 17 TYR PHI:  (16 SER C)-(17 TYR N)-(17 TYR CA)-(17 TYR C) -106.0 -46.0
 &rst     iat =   207,   209,   211,   228,
   r1 = -107.0, r2 = -106.0, r3 = -46.0, r4 = -45.0,
 &end
# 17 TYR PSI:  (17 TYR N)-(17 TYR CA)-(17 TYR C)-(18 ALA N) 101.0 161.0
 &rst     iat =   209,   211,   228,   230,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end
# 18 ALA PHI:  (17 TYR C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -156.0 -96.0
 &rst     iat =   228,   230,   232,   238,
   r1 = -157.0, r2 = -156.0, r3 = -96.0, r4 = -95.0,
 &end
# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 SER N) 122.0 182.0
 &rst     iat =   230,   232,   238,   240,
   r1 = 121.0, r2 = 122.0, r3 = 182.0, r4 = 183.0,
 &end
# 19 SER PHI:  (18 ALA C)-(19 SER N)-(19 SER CA)-(19 SER C) -170.0 -110.0
 &rst     iat =   238,   240,   242,   249,
   r1 = -171.0, r2 = -170.0, r3 = -110.0, r4 = -109.0,
 &end
# 19 SER PSI:  (19 SER N)-(19 SER CA)-(19 SER C)-(20 ALA N) 115.0 175.0
 &rst     iat =   240,   242,   249,   251,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end
# 22 LYS PHI:  (21 ILE C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -90.0 -30.0
 &rst     iat =   278,   280,   282,   300,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 ALA N) -67.0  -7.0
 &rst     iat =   280,   282,   300,   302,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 23 ALA PHI:  (22 LYS C)-(23 ALA N)-(23 ALA CA)-(23 ALA C) -92.0 -32.0
 &rst     iat =   300,   302,   304,   310,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 23 ALA PSI:  (23 ALA N)-(23 ALA CA)-(23 ALA C)-(24 ASN N) -71.0 -11.0
 &rst     iat =   302,   304,   310,   312,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 24 ASN PHI:  (23 ALA C)-(24 ASN N)-(24 ASN CA)-(24 ASN C) -95.0 -35.0
 &rst     iat =   310,   312,   314,   324,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 24 ASN PSI:  (24 ASN N)-(24 ASN CA)-(24 ASN C)-(25 LEU N) -68.0  -8.0
 &rst     iat =   312,   314,   324,   326,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 25 LEU PHI:  (24 ASN C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -96.0 -36.0
 &rst     iat =   324,   326,   328,   343,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 ASN N) -72.0 -12.0
 &rst     iat =   326,   328,   343,   345,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 26 ASN PHI:  (25 LEU C)-(26 ASN N)-(26 ASN CA)-(26 ASN C) -94.0 -34.0
 &rst     iat =   343,   345,   347,   357,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 26 ASN PSI:  (26 ASN N)-(26 ASN CA)-(26 ASN C)-(27 VAL N) -70.0 -10.0
 &rst     iat =   345,   347,   357,   359,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 27 VAL PHI:  (26 ASN C)-(27 VAL N)-(27 VAL CA)-(27 VAL C) -95.0 -35.0
 &rst     iat =   357,   359,   361,   373,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 27 VAL PSI:  (27 VAL N)-(27 VAL CA)-(27 VAL C)-(28 HID N) -73.0 -13.0
 &rst     iat =   359,   361,   373,   375,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 28 HIS PHI:  (27 VAL C)-(28 HID N)-(28 HID CA)-(28 HID C) -91.0 -31.0
 &rst     iat =   373,   375,   377,   390,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 LEU N) -76.0 -16.0
 &rst     iat =   375,   377,   390,   392,
   r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
 &end
# 29 LEU PHI:  (28 HID C)-(29 LEU N)-(29 LEU CA)-(29 LEU C) -92.0 -32.0
 &rst     iat =   390,   392,   394,   409,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 29 LEU PSI:  (29 LEU N)-(29 LEU CA)-(29 LEU C)-(30 ARG N) -74.0 -14.0
 &rst     iat =   392,   394,   409,   411,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 30 ARG PHI:  (29 LEU C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -98.0 -38.0
 &rst     iat =   409,   411,   413,   433,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 LYS N) -67.0  -7.0
 &rst     iat =   411,   413,   433,   435,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 31 LYS PHI:  (30 ARG C)-(31 LYS N)-(31 LYS CA)-(31 LYS C) -100.0 -40.0
 &rst     iat =   433,   435,   437,   455,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end
# 31 LYS PSI:  (31 LYS N)-(31 LYS CA)-(31 LYS C)-(32 HID N) -54.0   6.0
 &rst     iat =   435,   437,   455,   457,
   r1 = -55.0, r2 = -54.0, r3 =   6.0, r4 =   7.0,
 &end
# 32 HIS PHI:  (31 LYS C)-(32 HID N)-(32 HID CA)-(32 HID C) -122.0 -62.0
 &rst     iat =   455,   457,   459,   472,
   r1 = -123.0, r2 = -122.0, r3 = -62.0, r4 = -61.0,
 &end
# 32 HIS PSI:  (32 HID N)-(32 HID CA)-(32 HID C)-(33 THR N) -36.0  24.0
 &rst     iat =   457,   459,   472,   474,
   r1 = -37.0, r2 = -36.0, r3 =  24.0, r4 =  25.0,
 &end
# 39 CYS CHI1:  (39 CYM N)-(39 CYM CA)-(39 CYM CB)-(39 CYM SG) 150.0 210.0
 &rst     iat =   562,   564,   566,   569,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 42 CYS CHI1:  (42 CYM N)-(42 CYM CA)-(42 CYM CB)-(42 CYM SG)  30.0  90.0
 &rst     iat =   605,   607,   609,   612,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 44 PHE PHI:  (43 SER C)-(44 PHE N)-(44 PHE CA)-(44 PHE C) -114.0 -54.0
 &rst     iat =   624,   626,   628,   644,
   r1 = -115.0, r2 = -114.0, r3 = -54.0, r4 = -53.0,
 &end
# 44 PHE PSI:  (44 PHE N)-(44 PHE CA)-(44 PHE C)-(45 THR N)  99.0 159.0
 &rst     iat =   626,   628,   644,   646,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end
# 45 THR PHI:  (44 PHE C)-(45 THR N)-(45 THR CA)-(45 THR C) -160.0 -100.0
 &rst     iat =   644,   646,   648,   658,
   r1 = -161.0, r2 = -160.0, r3 = -100.0, r4 = -99.0,
 &end
# 45 THR PSI:  (45 THR N)-(45 THR CA)-(45 THR C)-(46 CYS N) 133.0 193.0
 &rst     iat =   646,   648,   658,   660,
   r1 = 132.0, r2 = 133.0, r3 = 193.0, r4 = 194.0,
 &end
# 46 CYS PHI:  (45 THR C)-(46 CYS N)-(46 CYS CA)-(46 CYS C) -153.0 -93.0
 &rst     iat =   658,   660,   662,   669,
   r1 = -154.0, r2 = -153.0, r3 = -93.0, r4 = -92.0,
 &end
# 46 CYS PSI:  (46 CYS N)-(46 CYS CA)-(46 CYS C)-(47 LEU N) 126.0 186.0
 &rst     iat =   660,   662,   669,   671,
   r1 = 125.0, r2 = 126.0, r3 = 186.0, r4 = 187.0,
 &end
# 49 LYS PHI:  (48 SER C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -89.0 -29.0
 &rst     iat =   699,   701,   703,   721,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end
# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 GLY N) -67.0  -7.0
 &rst     iat =   701,   703,   721,   723,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 50 GLY PHI:  (49 LYS C)-(50 GLY N)-(50 GLY CA)-(50 GLY C) -98.0 -38.0
 &rst     iat =   721,   723,   725,   728,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 50 GLY PSI:  (50 GLY N)-(50 GLY CA)-(50 GLY C)-(51 HID N) -69.0  -9.0
 &rst     iat =   723,   725,   728,   730,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 51 HIS PHI:  (50 GLY C)-(51 HID N)-(51 HID CA)-(51 HID C) -97.0 -37.0
 &rst     iat =   728,   730,   732,   745,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 51 HIS PSI:  (51 HID N)-(51 HID CA)-(51 HID C)-(52 LEU N) -72.0 -12.0
 &rst     iat =   730,   732,   745,   747,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 52 LEU PHI:  (51 HID C)-(52 LEU N)-(52 LEU CA)-(52 LEU C) -95.0 -35.0
 &rst     iat =   745,   747,   749,   764,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 52 LEU PSI:  (52 LEU N)-(52 LEU CA)-(52 LEU C)-(53 LYS N) -69.0  -9.0
 &rst     iat =   747,   749,   764,   766,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 53 LYS PHI:  (52 LEU C)-(53 LYS N)-(53 LYS CA)-(53 LYS C) -95.0 -35.0
 &rst     iat =   764,   766,   768,   786,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 53 LYS PSI:  (53 LYS N)-(53 LYS CA)-(53 LYS C)-(54 VAL N) -69.0  -9.0
 &rst     iat =   766,   768,   786,   788,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 54 VAL PHI:  (53 LYS C)-(54 VAL N)-(54 VAL CA)-(54 VAL C) -98.0 -38.0
 &rst     iat =   786,   788,   790,   802,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 54 VAL PSI:  (54 VAL N)-(54 VAL CA)-(54 VAL C)-(55 HID N) -73.0 -13.0
 &rst     iat =   788,   790,   802,   804,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 55 HIS PHI:  (54 VAL C)-(55 HID N)-(55 HID CA)-(55 HID C) -92.0 -32.0
 &rst     iat =   802,   804,   806,   819,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 55 HIS PSI:  (55 HID N)-(55 HID CA)-(55 HID C)-(56 ILE N) -71.0 -11.0
 &rst     iat =   804,   806,   819,   821,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 56 ILE PHI:  (55 HID C)-(56 ILE N)-(56 ILE CA)-(56 ILE C) -91.0 -31.0
 &rst     iat =   819,   821,   823,   838,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 56 ILE PSI:  (56 ILE N)-(56 ILE CA)-(56 ILE C)-(57 GLU N) -73.0 -13.0
 &rst     iat =   821,   823,   838,   840,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 57 GLU PHI:  (56 ILE C)-(57 GLU N)-(57 GLU CA)-(57 GLU C) -89.0 -29.0
 &rst     iat =   838,   840,   842,   853,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end
# 57 GLU PSI:  (57 GLU N)-(57 GLU CA)-(57 GLU C)-(58 ARG N) -70.0 -10.0
 &rst     iat =   840,   842,   853,   855,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 66 HIS PHI:  (65 GLN C)-(66 HID N)-(66 HID CA)-(66 HID C) -131.0 -71.0
 &rst     iat =  1012,  1014,  1016,  1029,
   r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0,
 &end
# 66 HIS PSI:  (66 HID N)-(66 HID CA)-(66 HID C)-(67 CYM N)  98.0 158.0
 &rst     iat =  1014,  1016,  1029,  1031,
   r1 =  97.0, r2 =  98.0, r3 = 158.0, r4 = 159.0,
 &end
# 67 CYS CHI1:  (67 CYM N)-(67 CYM CA)-(67 CYM CB)-(67 CYM SG) 150.0 210.0
 &rst     iat =  1031,  1033,  1035,  1038,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 67 CYS PHI:  (66 HID C)-(67 CYM N)-(67 CYM CA)-(67 CYM C) -107.0 -47.0
 &rst     iat =  1029,  1031,  1033,  1039,
   r1 = -108.0, r2 = -107.0, r3 = -47.0, r4 = -46.0,
 &end
# 67 CYS PSI:  (67 CYM N)-(67 CYM CA)-(67 CYM C)-(68 ARG N)  98.0 158.0
 &rst     iat =  1031,  1033,  1039,  1041,
   r1 =  97.0, r2 =  98.0, r3 = 158.0, r4 = 159.0,
 &end
# 70 CYS CHI1:  (70 CYM N)-(70 CYM CA)-(70 CYM CB)-(70 CYM SG)  30.0  90.0
 &rst     iat =  1085,  1087,  1089,  1092,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 77 VAL PHI:  (76 ASP C)-(77 VAL N)-(77 VAL CA)-(77 VAL C) -89.0 -29.0
 &rst     iat =  1203,  1205,  1207,  1219,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end
# 77 VAL PSI:  (77 VAL N)-(77 VAL CA)-(77 VAL C)-(78 LYS N) -65.0  -5.0
 &rst     iat =  1205,  1207,  1219,  1221,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end
# 78 LYS PHI:  (77 VAL C)-(78 LYS N)-(78 LYS CA)-(78 LYS C) -91.0 -31.0
 &rst     iat =  1219,  1221,  1223,  1241,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 78 LYS PSI:  (78 LYS N)-(78 LYS CA)-(78 LYS C)-(79 ASN N) -70.0 -10.0
 &rst     iat =  1221,  1223,  1241,  1243,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 79 ASN PHI:  (78 LYS C)-(79 ASN N)-(79 ASN CA)-(79 ASN C) -96.0 -36.0
 &rst     iat =  1241,  1243,  1245,  1255,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 79 ASN PSI:  (79 ASN N)-(79 ASN CA)-(79 ASN C)-(80 LEU N) -69.0  -9.0
 &rst     iat =  1243,  1245,  1255,  1257,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 80 LEU PHI:  (79 ASN C)-(80 LEU N)-(80 LEU CA)-(80 LEU C) -91.0 -31.0
 &rst     iat =  1255,  1257,  1259,  1274,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 ILE N) -75.0 -15.0
 &rst     iat =  1257,  1259,  1274,  1276,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end
# 81 ILE PHI:  (80 LEU C)-(81 ILE N)-(81 ILE CA)-(81 ILE C) -94.0 -34.0
 &rst     iat =  1274,  1276,  1278,  1293,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 81 ILE PSI:  (81 ILE N)-(81 ILE CA)-(81 ILE C)-(82 LYS N) -72.0 -12.0
 &rst     iat =  1276,  1278,  1293,  1295,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 82 LYS PHI:  (81 ILE C)-(82 LYS N)-(82 LYS CA)-(82 LYS C) -94.0 -34.0
 &rst     iat =  1293,  1295,  1297,  1315,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 82 LYS PSI:  (82 LYS N)-(82 LYS CA)-(82 LYS C)-(83 HID N) -72.0 -12.0
 &rst     iat =  1295,  1297,  1315,  1317,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 83 HIS PHI:  (82 LYS C)-(83 HID N)-(83 HID CA)-(83 HID C) -96.0 -36.0
 &rst     iat =  1315,  1317,  1319,  1332,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 83 HIS PSI:  (83 HID N)-(83 HID CA)-(83 HID C)-(84 ILE N) -69.0  -9.0
 &rst     iat =  1317,  1319,  1332,  1334,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 84 ILE PHI:  (83 HID C)-(84 ILE N)-(84 ILE CA)-(84 ILE C) -92.0 -32.0
 &rst     iat =  1332,  1334,  1336,  1351,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 84 ILE PSI:  (84 ILE N)-(84 ILE CA)-(84 ILE C)-(85 ARG N) -74.0 -14.0
 &rst     iat =  1334,  1336,  1351,  1353,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 85 ARG PHI:  (84 ILE C)-(85 ARG N)-(85 ARG CA)-(85 ARG C) -89.0 -29.0
 &rst     iat =  1351,  1353,  1355,  1375,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end
# 85 ARG PSI:  (85 ARG N)-(85 ARG CA)-(85 ARG C)-(86 ASP N) -73.0 -13.0
 &rst     iat =  1353,  1355,  1375,  1377,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 86 ASP PHI:  (85 ARG C)-(86 ASP N)-(86 ASP CA)-(86 ASP C) -97.0 -37.0
 &rst     iat =  1375,  1377,  1379,  1387,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 86 ASP PSI:  (86 ASP N)-(86 ASP CA)-(86 ASP C)-(87 ALA N) -66.0  -6.0
 &rst     iat =  1377,  1379,  1387,  1389,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end
# 87 ALA PHI:  (86 ASP C)-(87 ALA N)-(87 ALA CA)-(87 ALA C) -107.0 -47.0
 &rst     iat =  1387,  1389,  1391,  1397,
   r1 = -108.0, r2 = -107.0, r3 = -47.0, r4 = -46.0,
 &end
# 87 ALA PSI:  (87 ALA N)-(87 ALA CA)-(87 ALA C)-(88 HID N) -52.0   8.0
 &rst     iat =  1389,  1391,  1397,  1399,
   r1 = -53.0, r2 = -52.0, r3 =   8.0, r4 =   9.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 195, 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= 154, 387, 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= 154, 469, 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= 151,1472, 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= 154,1472, 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= 195, 387, 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= 195, 469, 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= 192,1472, 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= 195,1472, 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= 387, 469, 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= 387,1472, 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= 469,1472, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  39 CYM  SG   42 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 612, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  39 CYM  SG   55 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 816, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  39 CYM  SG   60 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 907, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  39 CYM  CB   94  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 566,1473, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  39 CYM  SG   94  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 569,1473, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  42 CYM  SG   55 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 816, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  42 CYM  SG   60 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 907, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  42 CYM  CB   94  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 609,1473, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  42 CYM  SG   94  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 612,1473, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  55 HID NE2   60 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 907, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  55 HID NE2   94  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 816,1473, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  60 HID NE2   94  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 907,1473, 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=1038,1092, 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=1038,1329, 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=1038,1411, 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=1035,1474, 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=1038,1474, 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=1092,1329, 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=1092,1411, 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=1089,1474, 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=1092,1474, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  83 HID NE2   88 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1411, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  83 HID NE2   95  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1474, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  88 HID NE2   95  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1474, 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 -42.724 -16.602   1.301
    2    H2   GLY   1           2H       GLY   1 -42.703 -15.332   2.335
    3    H3   GLY   1           3H       GLY   1 -42.369 -16.839   2.881
    4    HA2  GLY   1           1HA      GLY   1 -40.719 -15.316   0.972
    5    HA3  GLY   1           2HA      GLY   1 -40.341 -15.551   2.688
    6    H    SER   2           H        SER   2 -38.812 -16.341   0.272
    7    HA   SER   2           HA       SER   2 -38.941 -19.274   0.148
    8    HB2  SER   2           1HB      SER   2 -37.187 -18.980  -1.577
    9    HB3  SER   2           2HB      SER   2 -38.654 -18.043  -1.898
   10    HG   SER   2           HG       SER   2 -36.731 -16.806  -2.211
   11    H    SER   3           H        SER   3 -37.354 -17.133   2.240
   12    HA   SER   3           HA       SER   3 -34.822 -18.486   2.543
   13    HB2  SER   3           1HB      SER   3 -34.650 -17.050   4.592
   14    HB3  SER   3           2HB      SER   3 -34.940 -16.178   3.080
   15    HG   SER   3           HG       SER   3 -36.283 -15.436   4.803
   16    H    GLY   4           H        GLY   4 -34.046 -19.558   4.435
   17    HA2  GLY   4           1HA      GLY   4 -35.753 -21.715   5.346
   18    HA3  GLY   4           2HA      GLY   4 -34.078 -21.427   5.797
   19    H    SER   5           H        SER   5 -35.711 -22.410   7.661
   20    HA   SER   5           HA       SER   5 -37.112 -20.569   9.320
   21    HB2  SER   5           1HB      SER   5 -35.819 -23.218  10.067
   22    HB3  SER   5           2HB      SER   5 -37.070 -22.361  10.989
   23    HG   SER   5           HG       SER   5 -37.955 -24.005   9.644
   24    H    SER   6           H        SER   6 -36.641 -19.772  11.407
   25    HA   SER   6           HA       SER   6 -34.133 -18.494  11.750
   26    HB2  SER   6           1HB      SER   6 -36.316 -18.996  13.808
   27    HB3  SER   6           2HB      SER   6 -35.027 -17.784  13.921
   28    HG   SER   6           HG       SER   6 -37.000 -16.898  13.123
   29    H    GLY   7           H        GLY   7 -32.601 -18.644  13.458
   30    HA2  GLY   7           1HA      GLY   7 -32.298 -20.425  15.499
   31    HA3  GLY   7           2HA      GLY   7 -31.747 -21.378  14.117
   32    H    LYS   8           H        LYS   8 -30.580 -19.035  12.747
   33    HA   LYS   8           HA       LYS   8 -28.561 -18.042  12.461
   34    HB2  LYS   8           1HB      LYS   8 -29.097 -17.120  15.289
   35    HB3  LYS   8           2HB      LYS   8 -27.887 -16.433  14.196
   36    HG2  LYS   8           1HG      LYS   8 -29.645 -15.839  12.566
   37    HG3  LYS   8           2HG      LYS   8 -30.883 -16.480  13.664
   38    HD2  LYS   8           1HD      LYS   8 -30.219 -14.834  15.393
   39    HD3  LYS   8           2HD      LYS   8 -28.964 -14.195  14.309
   40    HE2  LYS   8           1HE      LYS   8 -30.717 -13.600  12.643
   41    HE3  LYS   8           2HE      LYS   8 -31.963 -14.222  13.734
   42    HZ1  LYS   8           3HZ      LYS   8 -31.723 -11.813  13.941
   43    HZ2  LYS   8           1HZ      LYS   8 -30.147 -11.946  14.345
   44    HZ3  LYS   8           2HZ      LYS   8 -31.304 -12.519  15.351
   45    HA   PRO   9           HA       PRO   9 -26.233 -21.535  14.550
   46    HB2  PRO   9           1HB      PRO   9 -25.270 -22.683  12.202
   47    HB3  PRO   9           2HB      PRO   9 -26.810 -23.078  13.000
   48    HG2  PRO   9           1HG      PRO   9 -26.404 -21.227  10.682
   49    HG3  PRO   9           2HG      PRO   9 -27.630 -22.512  10.879
   50    HD2  PRO   9           1HD      PRO   9 -28.214 -19.918  11.413
   51    HD3  PRO   9           2HD      PRO   9 -28.855 -21.233  12.435
   52    H    TYR  10           H        TYR  10 -25.248 -19.293  11.978
   53    HA   TYR  10           HA       TYR  10 -22.407 -19.769  12.422
   54    HB2  TYR  10           1HB      TYR  10 -23.851 -17.718  10.719
   55    HB3  TYR  10           2HB      TYR  10 -22.115 -18.015  10.723
   56    HD1  TYR  10           1HD      TYR  10 -25.418 -19.411   9.819
   57    HD2  TYR  10           2HD      TYR  10 -21.153 -20.018   9.686
   58    HE1  TYR  10           1HE      TYR  10 -25.735 -21.169   8.110
   59    HE2  TYR  10           2HE      TYR  10 -21.473 -21.830   8.001
   60    HH   TYR  10           HH       TYR  10 -24.712 -22.732   6.759
   61    H    LYS  11           H        LYS  11 -21.630 -19.113  14.305
   62    HA   LYS  11           HA       LYS  11 -22.469 -16.517  15.538
   63    HB2  LYS  11           1HB      LYS  11 -21.743 -19.207  16.683
   64    HB3  LYS  11           2HB      LYS  11 -21.806 -17.740  17.674
   65    HG2  LYS  11           1HG      LYS  11 -24.098 -17.407  17.338
   66    HG3  LYS  11           2HG      LYS  11 -24.175 -18.445  15.904
   67    HD2  LYS  11           1HD      LYS  11 -23.792 -20.423  17.242
   68    HD3  LYS  11           2HD      LYS  11 -23.625 -19.430  18.717
   69    HE2  LYS  11           1HE      LYS  11 -25.961 -18.613  18.401
   70    HE3  LYS  11           2HE      LYS  11 -26.114 -19.612  16.953
   71    HZ1  LYS  11           3HZ      LYS  11 -27.071 -20.721  18.884
   72    HZ2  LYS  11           1HZ      LYS  11 -25.659 -20.654  19.699
   73    HZ3  LYS  11           2HZ      LYS  11 -25.788 -21.582  18.360
   74    H    CYS  12           H        CYS  12 -21.018 -15.176  16.554
   75    HA   CYS  12           HA       CYS  12 -18.380 -15.116  15.395
   76    HB2  CYS  12           1HB      CYS  12 -19.749 -13.168  15.612
   77    HB3  CYS  12           2HB      CYS  12 -19.824 -13.352  17.372
   78    HA   PRO  13           HA       PRO  13 -16.360 -17.104  18.932
   79    HB2  PRO  13           1HB      PRO  13 -13.763 -16.850  18.155
   80    HB3  PRO  13           2HB      PRO  13 -14.908 -17.942  17.316
   81    HG2  PRO  13           1HG      PRO  13 -14.043 -15.153  16.517
   82    HG3  PRO  13           2HG      PRO  13 -14.170 -16.613  15.489
   83    HD2  PRO  13           1HD      PRO  13 -16.146 -14.675  15.693
   84    HD3  PRO  13           2HD      PRO  13 -16.490 -16.383  15.304
   85    H    GLN  14           H        GLN  14 -16.282 -13.759  18.105
   86    HA   GLN  14           HA       GLN  14 -14.610 -13.053  20.485
   87    HB2  GLN  14           1HB      GLN  14 -15.189 -11.359  18.036
   88    HB3  GLN  14           2HB      GLN  14 -14.107 -10.993  19.373
   89    HG2  GLN  14           1HG      GLN  14 -13.062 -13.384  18.636
   90    HG3  GLN  14           2HG      GLN  14 -13.804 -12.938  17.103
   91   HE21  GLN  14          1HE2      GLN  14 -11.609 -12.896  16.171
   92   HE22  GLN  14          2HE2      GLN  14 -10.562 -11.525  16.509
   93    H    CYS  15           H        CYS  15 -17.834 -12.552  19.061
   94    HA   CYS  15           HA       CYS  15 -18.614 -11.270  21.621
   95    HB2  CYS  15           1HB      CYS  15 -19.628  -9.363  20.612
   96    HB3  CYS  15           2HB      CYS  15 -17.947  -9.433  20.104
   97    H    SER  16           H        SER  16 -21.121 -10.695  21.395
   98    HA   SER  16           HA       SER  16 -22.443 -13.243  21.398
   99    HB2  SER  16           1HB      SER  16 -23.648 -10.462  21.622
  100    HB3  SER  16           2HB      SER  16 -24.404 -11.988  22.120
  101    HG   SER  16           HG       SER  16 -23.436 -10.886  23.888
  102    H    TYR  17           H        TYR  17 -21.701 -11.519  18.692
  103    HA   TYR  17           HA       TYR  17 -24.110 -11.321  17.219
  104    HB2  TYR  17           1HB      TYR  17 -22.083 -10.165  16.615
  105    HB3  TYR  17           2HB      TYR  17 -21.222 -11.673  16.371
  106    HD1  TYR  17           1HD      TYR  17 -23.889  -9.420  15.085
  107    HD2  TYR  17           2HD      TYR  17 -21.495 -12.913  14.239
  108    HE1  TYR  17           1HE      TYR  17 -24.625  -9.355  12.708
  109    HE2  TYR  17           2HE      TYR  17 -22.213 -12.820  11.854
  110    HH   TYR  17           HH       TYR  17 -24.455 -10.298  10.647
  111    H    ALA  18           H        ALA  18 -25.130 -12.549  15.749
  112    HA   ALA  18           HA       ALA  18 -24.130 -15.151  14.909
  113    HB1  ALA  18           1HB      ALA  18 -25.405 -15.589  17.060
  114    HB2  ALA  18           2HB      ALA  18 -26.861 -14.978  16.251
  115    HB3  ALA  18           3HB      ALA  18 -26.038 -16.429  15.633
  116    H    SER  19           H        SER  19 -25.099 -15.913  12.991
  117    HA   SER  19           HA       SER  19 -27.402 -14.485  11.826
  118    HB2  SER  19           1HB      SER  19 -25.253 -13.319  11.068
  119    HB3  SER  19           2HB      SER  19 -24.876 -14.803  10.174
  120    HG   SER  19           HG       SER  19 -27.134 -13.070   9.914
  121    H    ALA  20           H        ALA  20 -28.141 -15.544   9.787
  122    HA   ALA  20           HA       ALA  20 -28.037 -18.489  10.014
  123    HB1  ALA  20           1HB      ALA  20 -29.849 -16.673   8.386
  124    HB2  ALA  20           2HB      ALA  20 -30.034 -18.426   8.610
  125    HB3  ALA  20           3HB      ALA  20 -30.217 -17.337   9.996
  126    H    ILE  21           H        ILE  21 -26.147 -16.331   8.428
  127    HA   ILE  21           HA       ILE  21 -25.712 -18.084   6.040
  128    HB   ILE  21           HB       ILE  21 -25.821 -15.050   6.149
  129   HG12  ILE  21          1HG1      ILE  21 -27.680 -17.066   4.806
  130   HG13  ILE  21          2HG1      ILE  21 -28.071 -16.049   6.192
  131   HG21  ILE  21          1HG2      ILE  21 -25.270 -16.864   3.760
  132   HG22  ILE  21          2HG2      ILE  21 -25.425 -15.091   3.718
  133   HG23  ILE  21          3HG2      ILE  21 -24.091 -15.807   4.574
  134   HD11  ILE  21          3HD1      ILE  21 -27.647 -15.112   3.344
  135   HD12  ILE  21          1HD1      ILE  21 -29.124 -15.075   4.313
  136   HD13  ILE  21          2HD1      ILE  21 -27.768 -14.017   4.746
  137    H    LYS  22           H        LYS  22 -23.635 -18.619   5.643
  138    HA   LYS  22           HA       LYS  22 -21.534 -18.102   7.495
  139    HB2  LYS  22           1HB      LYS  22 -21.762 -20.062   5.969
  140    HB3  LYS  22           2HB      LYS  22 -21.229 -19.044   4.625
  141    HG2  LYS  22           1HG      LYS  22 -19.076 -18.644   5.699
  142    HG3  LYS  22           2HG      LYS  22 -19.632 -19.400   7.209
  143    HD2  LYS  22           1HD      LYS  22 -19.869 -21.556   6.078
  144    HD3  LYS  22           2HD      LYS  22 -19.339 -20.833   4.541
  145    HE2  LYS  22           1HE      LYS  22 -17.160 -20.230   5.591
  146    HE3  LYS  22           2HE      LYS  22 -17.690 -20.959   7.112
  147    HZ1  LYS  22           3HZ      LYS  22 -16.321 -22.498   5.824
  148    HZ2  LYS  22           1HZ      LYS  22 -17.339 -22.430   4.550
  149    HZ3  LYS  22           2HZ      LYS  22 -17.829 -23.105   5.957
  150    H    ALA  23           H        ALA  23 -22.171 -16.591   4.324
  151    HA   ALA  23           HA       ALA  23 -19.919 -14.889   4.215
  152    HB1  ALA  23           1HB      ALA  23 -22.719 -14.424   3.102
  153    HB2  ALA  23           2HB      ALA  23 -21.226 -13.625   2.574
  154    HB3  ALA  23           3HB      ALA  23 -21.428 -15.368   2.318
  155    H    ASN  24           H        ASN  24 -23.002 -14.397   5.965
  156    HA   ASN  24           HA       ASN  24 -22.455 -11.650   6.708
  157    HB2  ASN  24           1HB      ASN  24 -24.312 -13.791   7.842
  158    HB3  ASN  24           2HB      ASN  24 -24.233 -12.157   8.454
  159   HD21  ASN  24          1HD2      ASN  24 -26.602 -12.909   7.743
  160   HD22  ASN  24          2HD2      ASN  24 -27.084 -12.147   6.221
  161    H    LEU  25           H        LEU  25 -21.759 -14.816   8.301
  162    HA   LEU  25           HA       LEU  25 -20.491 -13.578  10.581
  163    HB2  LEU  25           1HB      LEU  25 -21.259 -15.879  10.653
  164    HB3  LEU  25           2HB      LEU  25 -20.134 -16.341   9.369
  165    HG   LEU  25           HG       LEU  25 -18.212 -15.801  10.844
  166   HD11  LEU  25          1HD1      LEU  25 -20.337 -15.271  12.971
  167   HD12  LEU  25          2HD1      LEU  25 -19.186 -14.083  12.317
  168   HD13  LEU  25          3HD1      LEU  25 -18.591 -15.443  13.261
  169   HD21  LEU  25          3HD2      LEU  25 -18.450 -17.684  12.366
  170   HD22  LEU  25          1HD2      LEU  25 -19.154 -18.085  10.790
  171   HD23  LEU  25          2HD2      LEU  25 -20.210 -17.671  12.160
  172    H    ASN  26           H        ASN  26 -19.110 -14.758   7.449
  173    HA   ASN  26           HA       ASN  26 -16.414 -14.076   7.935
  174    HB2  ASN  26           1HB      ASN  26 -17.971 -13.661   5.334
  175    HB3  ASN  26           2HB      ASN  26 -16.227 -13.717   5.477
  176   HD21  ASN  26          1HD2      ASN  26 -17.656 -15.192   3.723
  177   HD22  ASN  26          2HD2      ASN  26 -17.435 -16.902   4.119
  178    H    VAL  27           H        VAL  27 -19.006 -11.952   6.617
  179    HA   VAL  27           HA       VAL  27 -17.306  -9.703   6.302
  180    HB   VAL  27           HB       VAL  27 -19.749 -10.306   5.397
  181   HG11  VAL  27          1HG1      VAL  27 -21.034  -9.844   7.417
  182   HG12  VAL  27          2HG1      VAL  27 -20.460  -8.159   7.403
  183   HG13  VAL  27          3HG1      VAL  27 -21.460  -8.792   6.079
  184   HG21  VAL  27          3HG2      VAL  27 -18.170  -8.706   4.492
  185   HG22  VAL  27          1HG2      VAL  27 -19.791  -7.986   4.542
  186   HG23  VAL  27          2HG2      VAL  27 -18.593  -7.545   5.796
  187    H    HIS  28           H        HIS  28 -19.343 -10.691   8.951
  188    HA   HIS  28           HA       HIS  28 -19.094  -8.386  10.542
  189    HB2  HIS  28           1HB      HIS  28 -20.784 -10.060  10.902
  190    HB3  HIS  28           2HB      HIS  28 -19.591 -11.318  11.191
  191    HD1  HIS  28           1HD      HIS  28 -21.034  -8.284  13.062
  192    HD2  HIS  28           2HD      HIS  28 -18.419 -11.539  13.541
  193    HE1  HIS  28           1HE      HIS  28 -20.340  -8.262  15.503
  194    H    LEU  29           H        LEU  29 -17.015 -11.280  10.386
  195    HA   LEU  29           HA       LEU  29 -15.330 -10.700  12.621
  196    HB2  LEU  29           1HB      LEU  29 -14.816 -12.237  10.064
  197    HB3  LEU  29           2HB      LEU  29 -13.701 -12.239  11.419
  198    HG   LEU  29           HG       LEU  29 -16.582 -13.144  11.712
  199   HD11  LEU  29          1HD1      LEU  29 -15.748 -15.458  11.479
  200   HD12  LEU  29          2HD1      LEU  29 -14.123 -14.841  11.102
  201   HD13  LEU  29          3HD1      LEU  29 -15.477 -14.540   9.992
  202   HD21  LEU  29          3HD2      LEU  29 -15.690 -14.422  13.601
  203   HD22  LEU  29          1HD2      LEU  29 -15.498 -12.684  13.835
  204   HD23  LEU  29          2HD2      LEU  29 -14.094 -13.681  13.367
  205    H    ARG  30           H        ARG  30 -15.305  -9.364   9.390
  206    HA   ARG  30           HA       ARG  30 -12.669  -8.306   9.251
  207    HB2  ARG  30           1HB      ARG  30 -15.246  -7.091   8.160
  208    HB3  ARG  30           2HB      ARG  30 -13.620  -6.640   7.685
  209    HG2  ARG  30           1HG      ARG  30 -13.212  -8.929   6.802
  210    HG3  ARG  30           2HG      ARG  30 -14.839  -9.400   7.305
  211    HD2  ARG  30           1HD      ARG  30 -14.899  -8.935   4.949
  212    HD3  ARG  30           2HD      ARG  30 -15.813  -7.681   5.808
  213    HE   ARG  30           HE       ARG  30 -13.063  -6.878   5.401
  214   HH11  ARG  30          2HH1      ARG  30 -16.053  -7.153   3.591
  215   HH12  ARG  30          1HH1      ARG  30 -15.595  -5.898   2.473
  216   HH21  ARG  30          2HH2      ARG  30 -12.554  -5.275   3.949
  217   HH22  ARG  30          1HH2      ARG  30 -13.663  -4.875   2.671
  218    H    LYS  31           H        LYS  31 -15.240  -7.288  11.263
  219    HA   LYS  31           HA       LYS  31 -14.137  -4.630  11.887
  220    HB2  LYS  31           1HB      LYS  31 -16.230  -6.228  13.425
  221    HB3  LYS  31           2HB      LYS  31 -15.940  -4.484  13.517
  222    HG2  LYS  31           1HG      LYS  31 -16.664  -4.256  11.134
  223    HG3  LYS  31           2HG      LYS  31 -16.958  -6.000  11.075
  224    HD2  LYS  31           1HD      LYS  31 -18.528  -5.564  13.150
  225    HD3  LYS  31           2HD      LYS  31 -18.494  -3.877  12.569
  226    HE2  LYS  31           1HE      LYS  31 -19.030  -4.832  10.249
  227    HE3  LYS  31           2HE      LYS  31 -19.247  -6.398  11.035
  228    HZ1  LYS  31           3HZ      LYS  31 -21.043  -5.342  12.386
  229    HZ2  LYS  31           1HZ      LYS  31 -21.386  -5.227  10.790
  230    HZ3  LYS  31           2HZ      LYS  31 -20.831  -3.929  11.602
  231    H    HIS  32           H        HIS  32 -13.845  -7.839  13.142
  232    HA   HIS  32           HA       HIS  32 -12.448  -7.012  15.608
  233    HB2  HIS  32           1HB      HIS  32 -13.053  -9.772  14.486
  234    HB3  HIS  32           2HB      HIS  32 -12.388  -9.413  16.071
  235    HD1  HIS  32           1HD      HIS  32 -14.285  -7.360  17.312
  236    HD2  HIS  32           2HD      HIS  32 -15.477 -10.572  14.882
  237    HE1  HIS  32           1HE      HIS  32 -16.702  -7.816  17.923
  238    H    THR  33           H        THR  33 -11.429  -7.680  12.371
  239    HA   THR  33           HA       THR  33  -8.874  -8.881  12.975
  240    HB   THR  33           HB       THR  33  -8.304  -8.274  10.596
  241    HG1  THR  33           1HG      THR  33  -9.626  -6.482  10.298
  242   HG21  THR  33          3HG2      THR  33  -9.361 -10.407  11.219
  243   HG22  THR  33          1HG2      THR  33  -9.870  -9.840   9.613
  244   HG23  THR  33          2HG2      THR  33 -10.966  -9.664  11.002
  245    H    GLY  34           H        GLY  34  -6.780  -8.007  12.383
  246    HA2  GLY  34           1HA      GLY  34  -6.208  -5.477  13.639
  247    HA3  GLY  34           2HA      GLY  34  -5.057  -6.523  12.809
  248    H    GLU  35           H        GLU  35  -4.366  -4.157  12.311
  249    HA   GLU  35           HA       GLU  35  -5.818  -2.734  10.226
  250    HB2  GLU  35           1HB      GLU  35  -3.087  -2.393  11.489
  251    HB3  GLU  35           2HB      GLU  35  -3.611  -1.418  10.106
  252    HG2  GLU  35           1HG      GLU  35  -5.525  -0.565  11.318
  253    HG3  GLU  35           2HG      GLU  35  -5.206  -1.632  12.679
  254    H    LYS  36           H        LYS  36  -5.719  -2.707   8.181
  255    HA   LYS  36           HA       LYS  36  -3.931  -4.592   6.735
  256    HB2  LYS  36           1HB      LYS  36  -6.365  -2.994   5.861
  257    HB3  LYS  36           2HB      LYS  36  -5.220  -3.709   4.726
  258    HG2  LYS  36           1HG      LYS  36  -5.596  -5.893   6.216
  259    HG3  LYS  36           2HG      LYS  36  -7.126  -5.110   6.609
  260    HD2  LYS  36           1HD      LYS  36  -7.806  -5.081   4.285
  261    HD3  LYS  36           2HD      LYS  36  -6.163  -5.427   3.733
  262    HE2  LYS  36           1HE      LYS  36  -6.337  -7.655   4.993
  263    HE3  LYS  36           2HE      LYS  36  -8.075  -7.340   5.100
  264    HZ1  LYS  36           3HZ      LYS  36  -7.495  -8.649   3.115
  265    HZ2  LYS  36           1HZ      LYS  36  -6.487  -7.477   2.576
  266    HZ3  LYS  36           2HZ      LYS  36  -8.101  -7.206   2.648
  267    H    PHE  37           H        PHE  37  -2.075  -4.059   6.348
  268    HA   PHE  37           HA       PHE  37  -1.345  -1.333   5.394
  269    HB2  PHE  37           1HB      PHE  37   0.524  -3.662   5.846
  270    HB3  PHE  37           2HB      PHE  37   0.894  -1.933   5.780
  271    HD1  PHE  37           2HD      PHE  37  -0.243  -0.456   7.677
  272    HD2  PHE  37           1HD      PHE  37   0.296  -4.727   7.885
  273    HE1  PHE  37           2HE      PHE  37  -0.528  -0.376  10.136
  274    HE2  PHE  37           1HE      PHE  37   0.074  -4.642  10.334
  275    HZ   PHE  37           HZ       PHE  37  -0.426  -2.475  11.477
  276    H    ALA  38           H        ALA  38  -1.480  -0.991   3.279
  277    HA   ALA  38           HA       ALA  38  -1.539  -3.222   1.347
  278    HB1  ALA  38           1HB      ALA  38  -2.056  -0.252   0.954
  279    HB2  ALA  38           2HB      ALA  38  -2.381  -1.550  -0.214
  280    HB3  ALA  38           3HB      ALA  38  -3.302  -1.473   1.303
  281    H    CYS  39           H        CYS  39  -0.218  -3.470  -0.467
  282    HA   CYS  39           HA       CYS  39   2.489  -2.475  -0.332
  283    HB2  CYS  39           1HB      CYS  39   1.864  -4.640  -1.128
  284    HB3  CYS  39           2HB      CYS  39   0.853  -3.960  -2.398
  285    H    ASP  40           H        ASP  40   3.513  -0.987  -1.499
  286    HA   ASP  40           HA       ASP  40   1.931   1.237  -2.611
  287    HB2  ASP  40           1HB      ASP  40   3.889   1.536  -1.050
  288    HB3  ASP  40           2HB      ASP  40   4.943   0.955  -2.337
  289    H    TYR  41           H        TYR  41   3.071  -1.660  -3.837
  290    HA   TYR  41           HA       TYR  41   3.605  -0.553  -6.584
  291    HB2  TYR  41           1HB      TYR  41   4.780  -2.976  -5.190
  292    HB3  TYR  41           2HB      TYR  41   5.073  -2.503  -6.851
  293    HD1  TYR  41           2HD      TYR  41   5.543  -1.637  -3.297
  294    HD2  TYR  41           1HD      TYR  41   6.703  -0.748  -7.349
  295    HE1  TYR  41           2HE      TYR  41   7.464  -0.271  -2.450
  296    HE2  TYR  41           1HE      TYR  41   8.650   0.562  -6.516
  297    HH   TYR  41           HH       TYR  41   9.792   1.312  -4.665
  298    H    CYS  42           H        CYS  42   1.833  -2.990  -4.755
  299    HA   CYS  42           HA       CYS  42   0.216  -3.471  -7.182
  300    HB2  CYS  42           1HB      CYS  42   0.128  -5.872  -6.915
  301    HB3  CYS  42           2HB      CYS  42   1.786  -5.332  -7.200
  302    H    SER  43           H        SER  43  -1.702  -5.034  -6.497
  303    HA   SER  43           HA       SER  43  -3.304  -3.614  -4.554
  304    HB2  SER  43           1HB      SER  43  -3.897  -6.207  -6.024
  305    HB3  SER  43           2HB      SER  43  -5.072  -5.160  -5.206
  306    HG   SER  43           HG       SER  43  -5.006  -4.778  -7.470
  307    H    PHE  44           H        PHE  44  -0.886  -5.721  -3.817
  308    HA   PHE  44           HA       PHE  44  -2.057  -7.640  -2.115
  309    HB2  PHE  44           1HB      PHE  44   0.184  -7.798  -2.866
  310    HB3  PHE  44           2HB      PHE  44   0.659  -6.322  -2.054
  311    HD1  PHE  44           2HD      PHE  44  -0.529  -9.824  -1.451
  312    HD2  PHE  44           1HD      PHE  44   1.511  -6.394   0.173
  313    HE1  PHE  44           2HE      PHE  44   0.173 -11.168   0.521
  314    HE2  PHE  44           1HE      PHE  44   2.236  -7.749   2.130
  315    HZ   PHE  44           HZ       PHE  44   1.554 -10.126   2.311
  316    H    THR  45           H        THR  45  -2.338  -7.751   0.079
  317    HA   THR  45           HA       THR  45  -1.867  -5.435   1.798
  318    HB   THR  45           HB       THR  45  -4.017  -5.632   2.924
  319    HG1  THR  45           1HG      THR  45  -4.804  -7.144   0.663
  320   HG21  THR  45          3HG2      THR  45  -3.681  -3.860   1.351
  321   HG22  THR  45          1HG2      THR  45  -5.371  -4.396   1.297
  322   HG23  THR  45          2HG2      THR  45  -4.241  -4.872  -0.002
  323    H    CYS  46           H        CYS  46  -1.687  -5.871   3.944
  324    HA   CYS  46           HA       CYS  46  -1.615  -8.725   4.822
  325    HB2  CYS  46           1HB      CYS  46   0.621  -7.894   3.849
  326    HB3  CYS  46           2HB      CYS  46   0.696  -6.799   5.243
  327    HG   CYS  46           HG       CYS  46   2.137  -8.572   6.124
  328    H    LEU  47           H        LEU  47  -1.738  -9.056   7.045
  329    HA   LEU  47           HA       LEU  47  -2.637  -6.797   8.740
  330    HB2  LEU  47           1HB      LEU  47  -2.521  -9.783   9.280
  331    HB3  LEU  47           2HB      LEU  47  -3.184  -8.572  10.373
  332    HG   LEU  47           HG       LEU  47  -4.297  -9.264   7.619
  333   HD11  LEU  47          1HD1      LEU  47  -5.373  -9.786  10.421
  334   HD12  LEU  47          2HD1      LEU  47  -4.677 -11.001   9.325
  335   HD13  LEU  47          3HD1      LEU  47  -6.187 -10.182   8.890
  336   HD21  LEU  47          3HD2      LEU  47  -4.731  -6.897   8.138
  337   HD22  LEU  47          1HD2      LEU  47  -5.341  -7.343   9.743
  338   HD23  LEU  47          2HD2      LEU  47  -6.219  -7.837   8.279
  339    H    SER  48           H        SER  48   0.299  -8.091   7.925
  340    HA   SER  48           HA       SER  48   1.620  -7.125  10.435
  341    HB2  SER  48           1HB      SER  48   2.333  -9.594   8.797
  342    HB3  SER  48           2HB      SER  48   3.302  -8.920  10.123
  343    HG   SER  48           HG       SER  48   1.928 -10.634  10.818
  344    H    LYS  49           H        LYS  49   2.553  -5.343   9.942
  345    HA   LYS  49           HA       LYS  49   3.360  -4.448   7.396
  346    HB2  LYS  49           1HB      LYS  49   4.821  -2.852   8.875
  347    HB3  LYS  49           2HB      LYS  49   3.064  -2.698   8.781
  348    HG2  LYS  49           1HG      LYS  49   2.841  -3.838  10.963
  349    HG3  LYS  49           2HG      LYS  49   4.607  -4.035  11.047
  350    HD2  LYS  49           1HD      LYS  49   4.900  -1.601  11.092
  351    HD3  LYS  49           2HD      LYS  49   3.158  -1.353  10.830
  352    HE2  LYS  49           1HE      LYS  49   2.651  -2.487  12.958
  353    HE3  LYS  49           2HE      LYS  49   4.375  -2.778  13.237
  354    HZ1  LYS  49           3HZ      LYS  49   3.109  -0.093  13.055
  355    HZ2  LYS  49           1HZ      LYS  49   4.701  -0.361  13.313
  356    HZ3  LYS  49           2HZ      LYS  49   3.605  -0.809  14.434
  357    H    GLY  50           H        GLY  50   5.258  -6.269   9.755
  358    HA2  GLY  50           1HA      GLY  50   7.822  -5.959   8.480
  359    HA3  GLY  50           2HA      GLY  50   7.329  -7.238   9.589
  360    H    HIS  51           H        HIS  51   5.147  -8.303   7.934
  361    HA   HIS  51           HA       HIS  51   6.627  -9.857   5.958
  362    HB2  HIS  51           1HB      HIS  51   4.777 -10.812   7.274
  363    HB3  HIS  51           2HB      HIS  51   3.659  -9.655   6.548
  364    HD1  HIS  51           1HD      HIS  51   2.215 -10.963   4.850
  365    HD2  HIS  51           2HD      HIS  51   6.267 -12.094   4.895
  366    HE1  HIS  51           1HE      HIS  51   2.490 -12.714   3.009
  367    H    LEU  52           H        LEU  52   4.360  -7.081   5.835
  368    HA   LEU  52           HA       LEU  52   4.256  -6.830   2.989
  369    HB2  LEU  52           1HB      LEU  52   2.704  -5.660   4.421
  370    HB3  LEU  52           2HB      LEU  52   4.013  -4.825   5.250
  371    HG   LEU  52           HG       LEU  52   4.570  -3.569   3.190
  372   HD11  LEU  52          1HD1      LEU  52   3.725  -5.175   1.478
  373   HD12  LEU  52          2HD1      LEU  52   3.009  -3.580   1.312
  374   HD13  LEU  52          3HD1      LEU  52   2.060  -4.887   2.048
  375   HD21  LEU  52          3HD2      LEU  52   2.665  -2.088   3.282
  376   HD22  LEU  52          1HD2      LEU  52   2.957  -2.726   4.914
  377   HD23  LEU  52          2HD2      LEU  52   1.643  -3.389   3.918
  378    H    LYS  53           H        LYS  53   6.662  -5.514   5.346
  379    HA   LYS  53           HA       LYS  53   8.320  -4.208   3.411
  380    HB2  LYS  53           1HB      LYS  53   8.665  -3.759   5.709
  381    HB3  LYS  53           2HB      LYS  53   8.866  -5.460   6.125
  382    HG2  LYS  53           1HG      LYS  53  10.985  -5.604   4.979
  383    HG3  LYS  53           2HG      LYS  53  10.823  -3.974   4.324
  384    HD2  LYS  53           1HD      LYS  53  10.946  -4.650   7.301
  385    HD3  LYS  53           2HD      LYS  53  12.361  -4.221   6.322
  386    HE2  LYS  53           1HE      LYS  53  11.310  -2.025   5.773
  387    HE3  LYS  53           2HE      LYS  53   9.935  -2.433   6.808
  388    HZ1  LYS  53           3HZ      LYS  53  11.478  -2.551   8.696
  389    HZ2  LYS  53           1HZ      LYS  53  11.561  -1.079   7.996
  390    HZ3  LYS  53           2HZ      LYS  53  12.747  -2.169   7.738
  391    H    VAL  54           H        VAL  54   8.505  -7.614   4.596
  392    HA   VAL  54           HA       VAL  54  10.620  -8.369   2.843
  393    HB   VAL  54           HB       VAL  54   8.404 -10.057   4.071
  394   HG11  VAL  54          1HG1      VAL  54   9.213 -11.337   2.181
  395   HG12  VAL  54          2HG1      VAL  54  10.907 -10.934   2.560
  396   HG13  VAL  54          3HG1      VAL  54   9.961 -11.997   3.631
  397   HG21  VAL  54          3HG2      VAL  54  10.002  -8.967   5.645
  398   HG22  VAL  54          1HG2      VAL  54  10.174 -10.726   5.625
  399   HG23  VAL  54          2HG2      VAL  54  11.351  -9.707   4.761
  400    H    HIS  55           H        HIS  55   7.086  -8.410   2.273
  401    HA   HIS  55           HA       HIS  55   7.103  -9.563  -0.299
  402    HB2  HIS  55           1HB      HIS  55   5.024  -9.223   0.882
  403    HB3  HIS  55           2HB      HIS  55   5.294  -7.490   1.003
  404    HD1  HIS  55           1HD      HIS  55   4.211 -10.082  -1.609
  405    HD2  HIS  55           2HD      HIS  55   4.510  -5.934  -0.978
  406    HE1  HIS  55           1HE      HIS  55   2.994  -8.991  -3.550
  407    H    ILE  56           H        ILE  56   7.495  -6.073   0.550
  408    HA   ILE  56           HA       ILE  56   7.880  -5.319  -2.228
  409    HB   ILE  56           HB       ILE  56   8.491  -3.876   0.357
  410   HG12  ILE  56          1HG1      ILE  56   6.217  -3.438  -1.629
  411   HG13  ILE  56          2HG1      ILE  56   6.055  -4.425  -0.183
  412   HG21  ILE  56          1HG2      ILE  56   8.477  -2.841  -2.521
  413   HG22  ILE  56          2HG2      ILE  56   8.703  -1.839  -1.066
  414   HG23  ILE  56          3HG2      ILE  56   9.918  -3.035  -1.504
  415   HD11  ILE  56          3HD1      ILE  56   6.631  -1.449  -0.204
  416   HD12  ILE  56          1HD1      ILE  56   5.133  -2.269   0.269
  417   HD13  ILE  56          2HD1      ILE  56   6.596  -2.489   1.246
  418    H    GLU  57           H        GLU  57  10.168  -6.057   0.412
  419    HA   GLU  57           HA       GLU  57  12.583  -5.443  -0.982
  420    HB2  GLU  57           1HB      GLU  57  11.897  -7.339   1.289
  421    HB3  GLU  57           2HB      GLU  57  13.549  -7.106   0.753
  422    HG2  GLU  57           1HG      GLU  57  11.843  -4.728   1.581
  423    HG3  GLU  57           2HG      GLU  57  12.667  -5.748   2.750
  424    H    ARG  58           H        ARG  58  10.519  -8.186  -1.253
  425    HA   ARG  58           HA       ARG  58  12.569  -9.670  -2.875
  426    HB2  ARG  58           1HB      ARG  58  11.619 -11.673  -2.344
  427    HB3  ARG  58           2HB      ARG  58  11.439 -10.733  -0.877
  428    HG2  ARG  58           1HG      ARG  58   9.047 -10.258  -1.574
  429    HG3  ARG  58           2HG      ARG  58   9.272 -11.433  -2.879
  430    HD2  ARG  58           1HD      ARG  58   9.588 -12.016   0.090
  431    HD3  ARG  58           2HD      ARG  58   8.152 -12.362  -0.861
  432    HE   ARG  58           HE       ARG  58   9.322 -14.033  -2.110
  433   HH11  ARG  58          2HH1      ARG  58  11.266 -12.902   0.586
  434   HH12  ARG  58          1HH1      ARG  58  12.288 -14.312   0.544
  435   HH21  ARG  58          2HH2      ARG  58  10.666 -15.787  -2.099
  436   HH22  ARG  58          1HH2      ARG  58  11.953 -15.893  -0.935
  437    H    VAL  59           H        VAL  59   9.199  -8.510  -3.163
  438    HA   VAL  59           HA       VAL  59   9.117  -9.588  -5.870
  439    HB   VAL  59           HB       VAL  59   6.950  -8.008  -4.441
  440   HG11  VAL  59          1HG1      VAL  59   6.834  -9.822  -6.888
  441   HG12  VAL  59          2HG1      VAL  59   5.441  -9.066  -6.084
  442   HG13  VAL  59          3HG1      VAL  59   6.636  -8.056  -6.892
  443   HG21  VAL  59          3HG2      VAL  59   5.875 -10.249  -4.119
  444   HG22  VAL  59          1HG2      VAL  59   7.374 -11.021  -4.684
  445   HG23  VAL  59          2HG2      VAL  59   7.348 -10.060  -3.186
  446    H    HIS  60           H        HIS  60   9.100  -6.345  -4.346
  447    HA   HIS  60           HA       HIS  60   9.185  -5.075  -7.025
  448    HB2  HIS  60           1HB      HIS  60   8.247  -3.877  -4.434
  449    HB3  HIS  60           2HB      HIS  60   8.043  -3.229  -6.055
  450    HD1  HIS  60           1HD      HIS  60   6.390  -4.953  -7.697
  451    HD2  HIS  60           2HD      HIS  60   6.241  -5.163  -3.505
  452    HE1  HIS  60           1HE      HIS  60   4.139  -5.994  -7.138
  453    H    LYS  61           H        LYS  61  11.466  -5.952  -5.207
  454    HA   LYS  61           HA       LYS  61  13.051  -3.468  -4.948
  455    HB2  LYS  61           1HB      LYS  61  13.133  -5.099  -3.213
  456    HB3  LYS  61           2HB      LYS  61  13.565  -6.388  -4.315
  457    HG2  LYS  61           1HG      LYS  61  15.353  -3.958  -3.868
  458    HG3  LYS  61           2HG      LYS  61  15.348  -5.310  -2.753
  459    HD2  LYS  61           1HD      LYS  61  16.220  -5.356  -5.654
  460    HD3  LYS  61           2HD      LYS  61  17.206  -5.589  -4.227
  461    HE2  LYS  61           1HE      LYS  61  15.086  -7.476  -5.335
  462    HE3  LYS  61           2HE      LYS  61  16.831  -7.699  -5.372
  463    HZ1  LYS  61           3HZ      LYS  61  16.778  -7.779  -2.901
  464    HZ2  LYS  61           1HZ      LYS  61  15.912  -8.985  -3.574
  465    HZ3  LYS  61           2HZ      LYS  61  15.135  -7.710  -2.919
  466    H    LYS  62           H        LYS  62  14.546  -2.786  -6.377
  467    HA   LYS  62           HA       LYS  62  15.290  -2.332  -8.479
  468    HB2  LYS  62           1HB      LYS  62  16.153  -5.239  -8.266
  469    HB3  LYS  62           2HB      LYS  62  16.634  -4.210  -9.607
  470    HG2  LYS  62           1HG      LYS  62  17.172  -3.405  -6.731
  471    HG3  LYS  62           2HG      LYS  62  18.274  -4.437  -7.644
  472    HD2  LYS  62           1HD      LYS  62  18.659  -2.756  -9.317
  473    HD3  LYS  62           2HD      LYS  62  17.399  -1.707  -8.682
  474    HE2  LYS  62           1HE      LYS  62  19.959  -2.460  -7.200
  475    HE3  LYS  62           2HE      LYS  62  19.701  -0.968  -8.111
  476    HZ1  LYS  62           3HZ      LYS  62  18.256  -1.783  -5.656
  477    HZ2  LYS  62           1HZ      LYS  62  17.762  -0.541  -6.597
  478    HZ3  LYS  62           2HZ      LYS  62  19.226  -0.484  -5.846
  479    H    ILE  63           H        ILE  63  12.752  -2.393  -8.482
  480    HA   ILE  63           HA       ILE  63  11.613  -4.080 -10.570
  481    HB   ILE  63           HB       ILE  63  10.351  -3.464  -8.576
  482   HG12  ILE  63          1HG1      ILE  63   9.019  -2.458 -11.113
  483   HG13  ILE  63          2HG1      ILE  63   9.270  -4.161 -10.712
  484   HG21  ILE  63          1HG2      ILE  63  10.087  -0.660  -9.744
  485   HG22  ILE  63          2HG2      ILE  63   9.416  -1.266  -8.217
  486   HG23  ILE  63          3HG2      ILE  63  11.157  -1.071  -8.385
  487   HD11  ILE  63          3HD1      ILE  63   7.894  -3.833  -8.642
  488   HD12  ILE  63          1HD1      ILE  63   7.535  -2.177  -9.189
  489   HD13  ILE  63          2HD1      ILE  63   7.006  -3.562 -10.155
  490    H    LYS  64           H        LYS  64  11.108  -3.581 -12.644
  491    HA   LYS  64           HA       LYS  64  12.386  -1.334 -13.939
  492    HB2  LYS  64           1HB      LYS  64  11.377  -2.138 -15.986
  493    HB3  LYS  64           2HB      LYS  64  12.128  -3.457 -15.088
  494    HG2  LYS  64           1HG      LYS  64   9.861  -4.134 -14.240
  495    HG3  LYS  64           2HG      LYS  64   9.138  -2.846 -15.223
  496    HD2  LYS  64           1HD      LYS  64  10.041  -3.896 -17.278
  497    HD3  LYS  64           2HD      LYS  64  10.775  -5.185 -16.296
  498    HE2  LYS  64           1HE      LYS  64   8.519  -5.815 -15.452
  499    HE3  LYS  64           2HE      LYS  64   7.792  -4.542 -16.440
  500    HZ1  LYS  64           3HZ      LYS  64   7.678  -6.702 -17.547
  501    HZ2  LYS  64           1HZ      LYS  64   9.299  -6.875 -17.507
  502    HZ3  LYS  64           2HZ      LYS  64   8.622  -5.700 -18.422
  503    H    GLN  65           H        GLN  65  11.605   0.547 -14.680
  504    HA   GLN  65           HA       GLN  65   8.763   1.335 -14.195
  505    HB2  GLN  65           1HB      GLN  65  11.257   2.790 -13.210
  506    HB3  GLN  65           2HB      GLN  65   9.639   3.485 -13.212
  507    HG2  GLN  65           1HG      GLN  65  10.385   1.000 -11.618
  508    HG3  GLN  65           2HG      GLN  65  10.418   2.642 -11.010
  509   HE21  GLN  65          1HE2      GLN  65   8.199   0.100 -12.214
  510   HE22  GLN  65          2HE2      GLN  65   6.773   0.837 -11.477
  511    H    HIS  66           H        HIS  66   8.260   3.473 -15.254
  512    HA   HIS  66           HA       HIS  66  10.181   4.291 -17.329
  513    HB2  HIS  66           1HB      HIS  66   8.545   4.491 -19.064
  514    HB3  HIS  66           2HB      HIS  66   8.606   2.828 -18.502
  515    HD1  HIS  66           1HD      HIS  66   6.348   1.884 -17.348
  516    HD2  HIS  66           2HD      HIS  66   6.281   5.915 -18.560
  517    HE1  HIS  66           1HE      HIS  66   3.913   2.631 -17.215
  518    H    CYS  67           H        CYS  67  10.192   6.415 -17.882
  519    HA   CYS  67           HA       CYS  67   9.347   8.314 -15.915
  520    HB2  CYS  67           1HB      CYS  67  11.418   8.423 -17.223
  521    HB3  CYS  67           2HB      CYS  67  10.483   8.588 -18.716
  522    H    ARG  68           H        ARG  68   7.701   9.674 -15.786
  523    HA   ARG  68           HA       ARG  68   5.438   9.363 -17.643
  524    HB2  ARG  68           1HB      ARG  68   4.083  10.415 -16.031
  525    HB3  ARG  68           2HB      ARG  68   5.137   9.295 -15.205
  526    HG2  ARG  68           1HG      ARG  68   5.279  11.043 -13.754
  527    HG3  ARG  68           2HG      ARG  68   6.658  11.422 -14.774
  528    HD2  ARG  68           1HD      ARG  68   5.435  13.429 -14.320
  529    HD3  ARG  68           2HD      ARG  68   5.215  13.085 -16.020
  530    HE   ARG  68           HE       ARG  68   3.223  12.791 -13.807
  531   HH11  ARG  68          2HH1      ARG  68   3.658  12.674 -17.309
  532   HH12  ARG  68          1HH1      ARG  68   1.960  12.960 -17.584
  533   HH21  ARG  68          2HH2      ARG  68   1.092  13.066 -14.270
  534   HH22  ARG  68          1HH2      ARG  68   0.555  13.124 -15.922
  535    H    PHE  69           H        PHE  69   8.106  11.244 -17.850
  536    HA   PHE  69           HA       PHE  69   6.655  13.466 -19.263
  537    HB2  PHE  69           1HB      PHE  69   9.463  13.381 -18.173
  538    HB3  PHE  69           2HB      PHE  69   8.697  14.760 -18.930
  539    HD1  PHE  69           2HD      PHE  69   6.885  16.010 -17.733
  540    HD2  PHE  69           1HD      PHE  69   9.101  12.824 -15.852
  541    HE1  PHE  69           2HE      PHE  69   6.226  16.867 -15.497
  542    HE2  PHE  69           1HE      PHE  69   8.448  13.691 -13.616
  543    HZ   PHE  69           HZ       PHE  69   7.027  15.724 -13.436
  544    H    CYS  70           H        CYS  70   9.290  11.066 -19.664
  545    HA   CYS  70           HA       CYS  70   9.316  11.653 -22.587
  546    HB2  CYS  70           1HB      CYS  70  11.665  11.538 -22.707
  547    HB3  CYS  70           2HB      CYS  70  11.183  12.778 -21.557
  548    H    LYS  71           H        LYS  71   8.447   9.302 -20.551
  549    HA   LYS  71           HA       LYS  71   8.219   7.066 -20.566
  550    HB2  LYS  71           1HB      LYS  71   8.197   7.388 -23.574
  551    HB3  LYS  71           2HB      LYS  71   7.506   6.056 -22.636
  552    HG2  LYS  71           1HG      LYS  71   6.057   7.770 -21.429
  553    HG3  LYS  71           2HG      LYS  71   6.585   8.965 -22.617
  554    HD2  LYS  71           1HD      LYS  71   5.114   6.366 -23.165
  555    HD3  LYS  71           2HD      LYS  71   4.393   7.970 -23.196
  556    HE2  LYS  71           1HE      LYS  71   6.582   6.986 -25.093
  557    HE3  LYS  71           2HE      LYS  71   4.858   7.009 -25.460
  558    HZ1  LYS  71           3HZ      LYS  71   5.937   8.971 -26.353
  559    HZ2  LYS  71           1HZ      LYS  71   6.494   9.423 -24.889
  560    HZ3  LYS  71           2HZ      LYS  71   4.886   9.432 -25.195
  561    H    LYS  72           H        LYS  72  11.117   8.060 -20.833
  562    HA   LYS  72           HA       LYS  72  12.656   5.866 -21.841
  563    HB2  LYS  72           1HB      LYS  72  13.468   8.213 -21.202
  564    HB3  LYS  72           2HB      LYS  72  13.332   7.730 -19.527
  565    HG2  LYS  72           1HG      LYS  72  14.966   5.931 -19.838
  566    HG3  LYS  72           2HG      LYS  72  15.028   6.228 -21.584
  567    HD2  LYS  72           1HD      LYS  72  16.093   8.381 -21.253
  568    HD3  LYS  72           2HD      LYS  72  15.826   8.298 -19.505
  569    HE2  LYS  72           1HE      LYS  72  17.214   6.148 -19.499
  570    HE3  LYS  72           2HE      LYS  72  17.620   6.488 -21.186
  571    HZ1  LYS  72           3HZ      LYS  72  18.580   8.628 -20.392
  572    HZ2  LYS  72           1HZ      LYS  72  19.336   7.339 -19.736
  573    HZ3  LYS  72           2HZ      LYS  72  18.275   8.188 -18.836
  574    H    LYS  73           H        LYS  73  13.297   3.951 -20.919
  575    HA   LYS  73           HA       LYS  73  11.864   3.014 -18.513
  576    HB2  LYS  73           1HB      LYS  73  13.599   1.610 -20.565
  577    HB3  LYS  73           2HB      LYS  73  13.000   0.817 -19.099
  578    HG2  LYS  73           1HG      LYS  73  10.687   1.191 -19.724
  579    HG3  LYS  73           2HG      LYS  73  11.160   2.210 -21.082
  580    HD2  LYS  73           1HD      LYS  73  10.493   0.039 -21.908
  581    HD3  LYS  73           2HD      LYS  73  12.221   0.276 -22.201
  582    HE2  LYS  73           1HE      LYS  73  12.747  -1.111 -20.200
  583    HE3  LYS  73           2HE      LYS  73  11.018  -1.323 -19.891
  584    HZ1  LYS  73           3HZ      LYS  73  12.440  -2.259 -22.330
  585    HZ2  LYS  73           1HZ      LYS  73  10.846  -2.464 -22.041
  586    HZ3  LYS  73           2HZ      LYS  73  11.949  -3.216 -21.104
  587    H    TYR  74           H        TYR  74  12.690   2.358 -16.666
  588    HA   TYR  74           HA       TYR  74  15.550   2.915 -16.015
  589    HB2  TYR  74           1HB      TYR  74  13.059   4.071 -14.763
  590    HB3  TYR  74           2HB      TYR  74  14.473   3.772 -13.759
  591    HD1  TYR  74           1HD      TYR  74  13.189   5.792 -16.603
  592    HD2  TYR  74           2HD      TYR  74  16.552   4.937 -14.050
  593    HE1  TYR  74           1HE      TYR  74  14.453   7.667 -17.652
  594    HE2  TYR  74           2HE      TYR  74  17.838   6.792 -15.122
  595    HH   TYR  74           HH       TYR  74  16.412   8.880 -17.616
  596    H    SER  75           H        SER  75  16.526   1.724 -14.482
  597    HA   SER  75           HA       SER  75  15.571  -0.990 -14.148
  598    HB2  SER  75           1HB      SER  75  17.853  -1.266 -13.135
  599    HB3  SER  75           2HB      SER  75  17.856  -0.557 -14.758
  600    HG   SER  75           HG       SER  75  19.235   0.601 -13.375
  601    H    ASP  76           H        ASP  76  15.424   1.794 -12.157
  602    HA   ASP  76           HA       ASP  76  14.190   0.321  -9.957
  603    HB2  ASP  76           1HB      ASP  76  16.758   0.485  -9.530
  604    HB3  ASP  76           2HB      ASP  76  16.500   2.214  -9.345
  605    H    VAL  77           H        VAL  77  12.723   1.711  -8.830
  606    HA   VAL  77           HA       VAL  77  11.877   4.152 -10.127
  607    HB   VAL  77           HB       VAL  77  10.429   2.688  -8.686
  608   HG11  VAL  77          1HG1      VAL  77  11.968   2.350  -6.756
  609   HG12  VAL  77          2HG1      VAL  77  11.742   4.059  -6.308
  610   HG13  VAL  77          3HG1      VAL  77  10.366   2.946  -6.292
  611   HG21  VAL  77          3HG2      VAL  77   9.770   4.975  -9.346
  612   HG22  VAL  77          1HG2      VAL  77   9.122   4.521  -7.762
  613   HG23  VAL  77          2HG2      VAL  77  10.516   5.615  -7.864
  614    H    LYS  78           H        LYS  78  14.163   3.523  -7.439
  615    HA   LYS  78           HA       LYS  78  14.508   6.289  -6.687
  616    HB2  LYS  78           1HB      LYS  78  16.453   3.949  -6.498
  617    HB3  LYS  78           2HB      LYS  78  16.641   5.494  -5.675
  618    HG2  LYS  78           1HG      LYS  78  14.385   3.494  -5.194
  619    HG3  LYS  78           2HG      LYS  78  15.799   3.751  -4.173
  620    HD2  LYS  78           1HD      LYS  78  15.054   6.110  -3.769
  621    HD3  LYS  78           2HD      LYS  78  13.580   5.778  -4.711
  622    HE2  LYS  78           1HE      LYS  78  12.989   3.945  -3.154
  623    HE3  LYS  78           2HE      LYS  78  14.456   4.257  -2.217
  624    HZ1  LYS  78           3HZ      LYS  78  12.529   5.344  -1.222
  625    HZ2  LYS  78           1HZ      LYS  78  12.227   6.193  -2.582
  626    HZ3  LYS  78           2HZ      LYS  78  13.586   6.481  -1.718
  627    H    ASN  79           H        ASN  79  15.939   4.432  -9.319
  628    HA   ASN  79           HA       ASN  79  17.868   6.516 -10.022
  629    HB2  ASN  79           1HB      ASN  79  16.832   4.078 -11.555
  630    HB3  ASN  79           2HB      ASN  79  18.129   5.130 -12.110
  631   HD21  ASN  79          1HD2      ASN  79  18.517   2.338 -11.776
  632   HD22  ASN  79          2HD2      ASN  79  19.662   2.165 -10.461
  633    H    LEU  80           H        LEU  80  14.562   5.668 -11.022
  634    HA   LEU  80           HA       LEU  80  14.318   7.557 -13.134
  635    HB2  LEU  80           1HB      LEU  80  12.743   5.687 -12.709
  636    HB3  LEU  80           2HB      LEU  80  12.267   6.464 -11.190
  637    HG   LEU  80           HG       LEU  80  11.274   8.337 -12.352
  638   HD11  LEU  80          1HD1      LEU  80  11.830   6.860 -14.948
  639   HD12  LEU  80          2HD1      LEU  80  12.765   8.272 -14.408
  640   HD13  LEU  80          3HD1      LEU  80  11.054   8.451 -14.726
  641   HD21  LEU  80          3HD2      LEU  80  10.330   5.675 -13.477
  642   HD22  LEU  80          1HD2      LEU  80   9.373   7.164 -13.352
  643   HD23  LEU  80          2HD2      LEU  80   9.907   6.331 -11.880
  644    H    ILE  81           H        ILE  81  13.752   7.938  -9.588
  645    HA   ILE  81           HA       ILE  81  12.698  10.568  -9.695
  646    HB   ILE  81           HB       ILE  81  14.510   9.565  -7.483
  647   HG12  ILE  81          1HG1      ILE  81  13.025   7.824  -7.654
  648   HG13  ILE  81          2HG1      ILE  81  12.488   8.770  -6.335
  649   HG21  ILE  81          1HG2      ILE  81  13.057  11.032  -6.076
  650   HG22  ILE  81          2HG2      ILE  81  13.948  11.931  -7.306
  651   HG23  ILE  81          3HG2      ILE  81  12.224  11.577  -7.549
  652   HD11  ILE  81          3HD1      ILE  81  11.191   8.707  -9.090
  653   HD12  ILE  81          1HD1      ILE  81  10.544   8.038  -7.582
  654   HD13  ILE  81          2HD1      ILE  81  10.692   9.794  -7.771
  655    H    LYS  82           H        LYS  82  16.108   9.537  -9.360
  656    HA   LYS  82           HA       LYS  82  17.268  12.132  -9.308
  657    HB2  LYS  82           1HB      LYS  82  18.402   9.983  -8.735
  658    HB3  LYS  82           2HB      LYS  82  18.460   9.559 -10.453
  659    HG2  LYS  82           1HG      LYS  82  19.844  11.569 -10.905
  660    HG3  LYS  82           2HG      LYS  82  19.778  12.015  -9.196
  661    HD2  LYS  82           1HD      LYS  82  21.008   9.451 -10.308
  662    HD3  LYS  82           2HD      LYS  82  21.906  10.916  -9.883
  663    HE2  LYS  82           1HE      LYS  82  21.094  10.719  -7.527
  664    HE3  LYS  82           2HE      LYS  82  20.270   9.213  -7.949
  665    HZ1  LYS  82           3HZ      LYS  82  23.203   9.658  -8.132
  666    HZ2  LYS  82           1HZ      LYS  82  22.444   8.266  -8.527
  667    HZ3  LYS  82           2HZ      LYS  82  22.452   8.783  -6.980
  668    H    HIS  83           H        HIS  83  16.475  10.098 -12.143
  669    HA   HIS  83           HA       HIS  83  17.319  11.959 -14.172
  670    HB2  HIS  83           1HB      HIS  83  16.892   9.725 -14.803
  671    HB3  HIS  83           2HB      HIS  83  15.311   9.691 -14.048
  672    HD1  HIS  83           1HD      HIS  83  16.973  11.332 -17.133
  673    HD2  HIS  83           2HD      HIS  83  13.234  10.345 -15.480
  674    HE1  HIS  83           1HE      HIS  83  15.282  11.715 -18.986
  675    H    ILE  84           H        ILE  84  14.099  11.650 -12.564
  676    HA   ILE  84           HA       ILE  84  12.921  13.822 -14.030
  677    HB   ILE  84           HB       ILE  84  12.301  12.517 -11.374
  678   HG12  ILE  84          1HG1      ILE  84  10.736  12.475 -13.991
  679   HG13  ILE  84          2HG1      ILE  84  12.008  11.312 -13.636
  680   HG21  ILE  84          1HG2      ILE  84  10.674  14.687 -12.780
  681   HG22  ILE  84          2HG2      ILE  84  10.107  13.716 -11.407
  682   HG23  ILE  84          3HG2      ILE  84  11.450  14.825 -11.188
  683   HD11  ILE  84          3HD1      ILE  84   9.921  10.301 -13.077
  684   HD12  ILE  84          1HD1      ILE  84  10.817  10.628 -11.569
  685   HD13  ILE  84          2HD1      ILE  84   9.450  11.665 -12.046
  686    H    ARG  85           H        ARG  85  14.614  13.796 -10.892
  687    HA   ARG  85           HA       ARG  85  14.506  16.620 -10.387
  688    HB2  ARG  85           1HB      ARG  85  16.487  14.469  -9.523
  689    HB3  ARG  85           2HB      ARG  85  16.544  16.137  -8.943
  690    HG2  ARG  85           1HG      ARG  85  14.253  15.947  -8.064
  691    HG3  ARG  85           2HG      ARG  85  14.147  14.281  -8.622
  692    HD2  ARG  85           1HD      ARG  85  14.653  14.240  -6.263
  693    HD3  ARG  85           2HD      ARG  85  16.044  13.648  -7.161
  694    HE   ARG  85           HE       ARG  85  17.308  15.457  -6.446
  695   HH11  ARG  85          2HH1      ARG  85  13.979  16.172  -5.598
  696   HH12  ARG  85          1HH1      ARG  85  14.431  17.563  -4.652
  697   HH21  ARG  85          2HH2      ARG  85  17.802  17.241  -5.229
  698   HH22  ARG  85          1HH2      ARG  85  16.536  18.143  -4.450
  699    H    ASP  86           H        ASP  86  16.569  14.908 -12.598
  700    HA   ASP  86           HA       ASP  86  18.362  17.260 -12.947
  701    HB2  ASP  86           1HB      ASP  86  18.427  14.418 -14.010
  702    HB3  ASP  86           2HB      ASP  86  19.514  15.680 -14.572
  703    H    ALA  87           H        ALA  87  16.086  15.342 -14.948
  704    HA   ALA  87           HA       ALA  87  16.503  17.190 -17.227
  705    HB1  ALA  87           1HB      ALA  87  15.152  14.468 -17.046
  706    HB2  ALA  87           2HB      ALA  87  15.533  15.363 -18.530
  707    HB3  ALA  87           3HB      ALA  87  16.848  14.758 -17.503
  708    H    HIS  88           H        HIS  88  13.953  16.319 -14.950
  709    HA   HIS  88           HA       HIS  88  11.986  18.019 -16.424
  710    HB2  HIS  88           1HB      HIS  88  11.406  15.493 -14.858
  711    HB3  HIS  88           2HB      HIS  88  10.296  16.424 -15.845
  712    HD1  HIS  88           1HD      HIS  88  11.519  16.511 -18.643
  713    HD2  HIS  88           2HD      HIS  88  11.942  13.290 -15.983
  714    HE1  HIS  88           1HE      HIS  88  12.005  14.474 -20.092
  715    H    ASP  89           H        ASP  89  13.779  18.785 -14.218
  716    HA   ASP  89           HA       ASP  89  12.738  18.559 -11.736
  717    HB2  ASP  89           1HB      ASP  89  14.339  20.051 -11.005
  718    HB3  ASP  89           2HB      ASP  89  15.011  19.426 -12.501
  719    HA   PRO  90           HA       PRO  90   9.234  21.154 -11.432
  720    HB2  PRO  90           1HB      PRO  90   8.758  21.182  -8.747
  721    HB3  PRO  90           2HB      PRO  90   8.746  19.672  -9.706
  722    HG2  PRO  90           1HG      PRO  90  11.044  20.823  -8.084
  723    HG3  PRO  90           2HG      PRO  90  10.366  19.162  -8.006
  724    HD2  PRO  90           1HD      PRO  90  12.554  19.756  -9.525
  725    HD3  PRO  90           2HD      PRO  90  11.340  18.572 -10.078
  726    H    GLN  91           H        GLN  91  12.046  22.601 -11.017
  727    HA   GLN  91           HA       GLN  91  12.892  24.624 -10.510
  728    HB2  GLN  91           1HB      GLN  91  10.139  25.642 -11.283
  729    HB3  GLN  91           2HB      GLN  91  11.630  26.586 -11.223
  730    HG2  GLN  91           1HG      GLN  91  12.637  25.118 -12.965
  731    HG3  GLN  91           2HG      GLN  91  11.115  24.225 -13.083
  732   HE21  GLN  91          1HE2      GLN  91   9.136  25.499 -13.774
  733   HE22  GLN  91          2HE2      GLN  91   9.403  26.877 -14.834
  734    H    ASP  92           H        ASP  92  12.071  23.225  -8.247
  735    HA   ASP  92           HA       ASP  92  11.680  25.388  -6.245
  736    HB2  ASP  92           1HB      ASP  92   9.461  24.412  -6.666
  737    HB3  ASP  92           2HB      ASP  92  10.089  22.797  -6.358
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  -5.790 -18.393 -15.855
    2    H2   GLY   1           2H       GLY   1  -4.498 -18.873 -16.738
    3    H3   GLY   1           3H       GLY   1  -4.294 -18.399 -15.182
    4    HA2  GLY   1           1HA      GLY   1  -4.158 -20.791 -15.318
    5    HA3  GLY   1           2HA      GLY   1  -5.565 -20.274 -14.374
    6    H    SER   2           H        SER   2  -6.242 -22.530 -14.945
    7    HA   SER   2           HA       SER   2  -6.931 -23.298 -17.604
    8    HB2  SER   2           1HB      SER   2  -8.082 -24.285 -14.968
    9    HB3  SER   2           2HB      SER   2  -8.184 -25.109 -16.536
   10    HG   SER   2           HG       SER   2  -6.456 -25.908 -15.241
   11    H    SER   3           H        SER   3  -8.922 -23.480 -18.664
   12    HA   SER   3           HA       SER   3 -10.813 -21.315 -18.214
   13    HB2  SER   3           1HB      SER   3 -10.090 -22.112 -20.465
   14    HB3  SER   3           2HB      SER   3 -10.998 -23.612 -20.187
   15    HG   SER   3           HG       SER   3 -12.213 -22.001 -21.329
   16    H    GLY   4           H        GLY   4 -12.990 -21.432 -17.695
   17    HA2  GLY   4           1HA      GLY   4 -14.714 -23.524 -17.277
   18    HA3  GLY   4           2HA      GLY   4 -13.787 -23.484 -15.776
   19    H    SER   5           H        SER   5 -16.282 -23.122 -15.282
   20    HA   SER   5           HA       SER   5 -17.152 -20.324 -15.339
   21    HB2  SER   5           1HB      SER   5 -19.041 -21.152 -13.977
   22    HB3  SER   5           2HB      SER   5 -18.833 -22.028 -15.501
   23    HG   SER   5           HG       SER   5 -19.199 -23.452 -13.739
   24    H    SER   6           H        SER   6 -17.489 -19.001 -13.482
   25    HA   SER   6           HA       SER   6 -15.198 -18.897 -11.794
   26    HB2  SER   6           1HB      SER   6 -17.801 -17.348 -11.542
   27    HB3  SER   6           2HB      SER   6 -16.234 -16.911 -10.834
   28    HG   SER   6           HG       SER   6 -16.638 -15.806 -12.815
   29    H    GLY   7           H        GLY   7 -18.534 -19.942 -11.072
   30    HA2  GLY   7           1HA      GLY   7 -19.488 -20.962  -9.230
   31    HA3  GLY   7           2HA      GLY   7 -17.873 -21.544  -8.827
   32    H    LYS   8           H        LYS   8 -17.811 -21.217  -6.682
   33    HA   LYS   8           HA       LYS   8 -17.508 -20.195  -4.670
   34    HB2  LYS   8           1HB      LYS   8 -16.464 -17.974  -6.435
   35    HB3  LYS   8           2HB      LYS   8 -16.104 -18.185  -4.720
   36    HG2  LYS   8           1HG      LYS   8 -15.017 -20.356  -5.183
   37    HG3  LYS   8           2HG      LYS   8 -15.421 -20.203  -6.893
   38    HD2  LYS   8           1HD      LYS   8 -14.084 -17.939  -6.793
   39    HD3  LYS   8           2HD      LYS   8 -13.467 -18.561  -5.258
   40    HE2  LYS   8           1HE      LYS   8 -11.852 -19.259  -6.822
   41    HE3  LYS   8           2HE      LYS   8 -12.834 -20.703  -6.554
   42    HZ1  LYS   8           3HZ      LYS   8 -12.985 -18.847  -8.870
   43    HZ2  LYS   8           1HZ      LYS   8 -14.098 -20.010  -8.626
   44    HZ3  LYS   8           2HZ      LYS   8 -12.531 -20.413  -8.909
   45    HA   PRO   9           HA       PRO   9 -21.478 -17.733  -5.027
   46    HB2  PRO   9           1HB      PRO   9 -22.921 -19.211  -3.144
   47    HB3  PRO   9           2HB      PRO   9 -22.793 -19.581  -4.879
   48    HG2  PRO   9           1HG      PRO   9 -21.197 -20.813  -2.667
   49    HG3  PRO   9           2HG      PRO   9 -22.063 -21.629  -4.003
   50    HD2  PRO   9           1HD      PRO   9 -19.412 -21.118  -4.176
   51    HD3  PRO   9           2HD      PRO   9 -20.468 -20.911  -5.597
   52    H    TYR  10           H        TYR  10 -19.637 -18.761  -2.176
   53    HA   TYR  10           HA       TYR  10 -20.927 -16.804  -0.451
   54    HB2  TYR  10           1HB      TYR  10 -18.529 -18.601  -0.002
   55    HB3  TYR  10           2HB      TYR  10 -19.319 -17.611   1.222
   56    HD1  TYR  10           1HD      TYR  10 -19.694 -20.560  -0.997
   57    HD2  TYR  10           2HD      TYR  10 -21.516 -18.214   2.121
   58    HE1  TYR  10           1HE      TYR  10 -21.265 -22.418  -0.534
   59    HE2  TYR  10           2HE      TYR  10 -23.131 -20.066   2.566
   60    HH   TYR  10           HH       TYR  10 -23.803 -22.185   2.000
   61    H    LYS  11           H        LYS  11 -20.550 -14.759  -0.991
   62    HA   LYS  11           HA       LYS  11 -17.834 -13.738  -1.710
   63    HB2  LYS  11           1HB      LYS  11 -20.651 -12.664  -2.042
   64    HB3  LYS  11           2HB      LYS  11 -19.282 -11.569  -2.032
   65    HG2  LYS  11           1HG      LYS  11 -19.780 -12.008  -4.280
   66    HG3  LYS  11           2HG      LYS  11 -18.237 -12.775  -3.913
   67    HD2  LYS  11           1HD      LYS  11 -19.324 -14.985  -3.842
   68    HD3  LYS  11           2HD      LYS  11 -20.921 -14.223  -4.059
   69    HE2  LYS  11           1HE      LYS  11 -20.194 -13.318  -6.246
   70    HE3  LYS  11           2HE      LYS  11 -18.601 -14.065  -6.033
   71    HZ1  LYS  11           3HZ      LYS  11 -19.662 -16.219  -6.052
   72    HZ2  LYS  11           1HZ      LYS  11 -20.027 -15.421  -7.431
   73    HZ3  LYS  11           2HZ      LYS  11 -21.157 -15.547  -6.254
   74    H    CYS  12           H        CYS  12 -16.816 -12.046  -0.691
   75    HA   CYS  12           HA       CYS  12 -17.358 -11.616   2.130
   76    HB2  CYS  12           1HB      CYS  12 -15.134 -11.902   1.277
   77    HB3  CYS  12           2HB      CYS  12 -15.317 -10.513   0.197
   78    HA   PRO  13           HA       PRO  13 -19.757  -7.839   1.312
   79    HB2  PRO  13           1HB      PRO  13 -20.199  -7.041   3.868
   80    HB3  PRO  13           2HB      PRO  13 -20.963  -8.513   3.192
   81    HG2  PRO  13           1HG      PRO  13 -18.505  -8.309   4.949
   82    HG3  PRO  13           2HG      PRO  13 -19.887  -9.435   5.101
   83    HD2  PRO  13           1HD      PRO  13 -17.487 -10.053   3.825
   84    HD3  PRO  13           2HD      PRO  13 -19.045 -10.830   3.426
   85    H    GLN  14           H        GLN  14 -16.562  -8.075   2.587
   86    HA   GLN  14           HA       GLN  14 -16.254  -5.116   2.852
   87    HB2  GLN  14           1HB      GLN  14 -14.366  -7.245   3.880
   88    HB3  GLN  14           2HB      GLN  14 -14.401  -5.528   4.257
   89    HG2  GLN  14           1HG      GLN  14 -16.849  -6.081   5.126
   90    HG3  GLN  14           2HG      GLN  14 -16.259  -7.740   5.152
   91   HE21  GLN  14          1HE2      GLN  14 -16.155  -8.092   7.399
   92   HE22  GLN  14          2HE2      GLN  14 -15.195  -7.085   8.470
   93    H    CYS  15           H        CYS  15 -15.032  -7.897   1.000
   94    HA   CYS  15           HA       CYS  15 -13.660  -5.987  -0.801
   95    HB2  CYS  15           1HB      CYS  15 -11.549  -7.114  -0.743
   96    HB3  CYS  15           2HB      CYS  15 -11.979  -6.643   0.893
   97    H    SER  16           H        SER  16 -12.497  -7.471  -2.597
   98    HA   SER  16           HA       SER  16 -14.662  -8.576  -4.142
   99    HB2  SER  16           1HB      SER  16 -11.678  -8.642  -4.715
  100    HB3  SER  16           2HB      SER  16 -12.986  -8.845  -5.891
  101    HG   SER  16           HG       SER  16 -13.618  -6.693  -5.500
  102    H    TYR  17           H        TYR  17 -13.056 -10.127  -1.693
  103    HA   TYR  17           HA       TYR  17 -12.302 -12.642  -2.760
  104    HB2  TYR  17           1HB      TYR  17 -11.639 -11.851  -0.569
  105    HB3  TYR  17           2HB      TYR  17 -13.301 -11.811  -0.021
  106    HD1  TYR  17           1HD      TYR  17 -10.457 -14.004  -1.013
  107    HD2  TYR  17           2HD      TYR  17 -14.380 -13.879   0.785
  108    HE1  TYR  17           1HE      TYR  17 -10.118 -16.296  -0.086
  109    HE2  TYR  17           2HE      TYR  17 -14.019 -16.144   1.738
  110    HH   TYR  17           HH       TYR  17 -12.471 -17.790   2.140
  111    H    ALA  18           H        ALA  18 -13.252 -14.602  -2.919
  112    HA   ALA  18           HA       ALA  18 -15.949 -15.086  -1.990
  113    HB1  ALA  18           1HB      ALA  18 -15.313 -15.445  -4.953
  114    HB2  ALA  18           2HB      ALA  18 -16.839 -15.848  -4.134
  115    HB3  ALA  18           3HB      ALA  18 -16.336 -14.157  -4.279
  116    H    SER  19           H        SER  19 -16.440 -17.321  -1.777
  117    HA   SER  19           HA       SER  19 -14.455 -19.327  -2.664
  118    HB2  SER  19           1HB      SER  19 -13.834 -18.541  -0.311
  119    HB3  SER  19           2HB      SER  19 -15.341 -19.301   0.235
  120    HG   SER  19           HG       SER  19 -13.070 -20.483  -1.027
  121    H    ALA  20           H        ALA  20 -15.227 -21.576  -2.194
  122    HA   ALA  20           HA       ALA  20 -18.065 -21.852  -2.937
  123    HB1  ALA  20           1HB      ALA  20 -16.313 -22.947  -4.281
  124    HB2  ALA  20           2HB      ALA  20 -15.812 -23.886  -2.854
  125    HB3  ALA  20           3HB      ALA  20 -17.424 -24.125  -3.561
  126    H    ILE  21           H        ILE  21 -16.572 -21.668  -0.012
  127    HA   ILE  21           HA       ILE  21 -18.435 -23.579   1.342
  128    HB   ILE  21           HB       ILE  21 -15.464 -23.190   1.858
  129   HG12  ILE  21          1HG1      ILE  21 -16.987 -25.574   0.708
  130   HG13  ILE  21          2HG1      ILE  21 -15.832 -24.552  -0.149
  131   HG21  ILE  21          1HG2      ILE  21 -16.686 -23.590   3.951
  132   HG22  ILE  21          2HG2      ILE  21 -17.416 -25.061   3.265
  133   HG23  ILE  21          3HG2      ILE  21 -15.663 -24.940   3.564
  134   HD11  ILE  21          3HD1      ILE  21 -14.719 -26.579   0.337
  135   HD12  ILE  21          1HD1      ILE  21 -14.026 -25.345   1.410
  136   HD13  ILE  21          2HD1      ILE  21 -15.188 -26.542   2.040
  137    H    LYS  22           H        LYS  22 -19.459 -22.759   3.106
  138    HA   LYS  22           HA       LYS  22 -19.338 -19.988   3.771
  139    HB2  LYS  22           1HB      LYS  22 -21.319 -21.431   4.084
  140    HB3  LYS  22           2HB      LYS  22 -20.490 -22.342   5.338
  141    HG2  LYS  22           1HG      LYS  22 -22.125 -20.731   6.230
  142    HG3  LYS  22           2HG      LYS  22 -20.495 -20.434   6.834
  143    HD2  LYS  22           1HD      LYS  22 -20.227 -18.494   5.397
  144    HD3  LYS  22           2HD      LYS  22 -21.682 -18.906   4.485
  145    HE2  LYS  22           1HE      LYS  22 -22.076 -17.021   5.981
  146    HE3  LYS  22           2HE      LYS  22 -23.113 -18.392   6.374
  147    HZ1  LYS  22           3HZ      LYS  22 -21.736 -18.886   8.258
  148    HZ2  LYS  22           1HZ      LYS  22 -22.058 -17.292   8.334
  149    HZ3  LYS  22           2HZ      LYS  22 -20.583 -17.809   7.836
  150    H    ALA  23           H        ALA  23 -17.820 -22.775   5.422
  151    HA   ALA  23           HA       ALA  23 -16.634 -21.354   7.567
  152    HB1  ALA  23           1HB      ALA  23 -15.124 -23.272   7.722
  153    HB2  ALA  23           2HB      ALA  23 -16.782 -23.816   7.410
  154    HB3  ALA  23           3HB      ALA  23 -15.580 -23.806   6.095
  155    H    ASN  24           H        ASN  24 -15.483 -21.694   4.188
  156    HA   ASN  24           HA       ASN  24 -12.939 -20.372   4.680
  157    HB2  ASN  24           1HB      ASN  24 -14.549 -20.901   2.134
  158    HB3  ASN  24           2HB      ASN  24 -12.967 -20.157   2.149
  159   HD21  ASN  24          1HD2      ASN  24 -13.077 -22.162   0.600
  160   HD22  ASN  24          2HD2      ASN  24 -12.288 -23.585   1.293
  161    H    LEU  25           H        LEU  25 -16.204 -19.175   4.008
  162    HA   LEU  25           HA       LEU  25 -15.257 -16.425   3.649
  163    HB2  LEU  25           1HB      LEU  25 -17.330 -17.118   2.595
  164    HB3  LEU  25           2HB      LEU  25 -18.028 -17.552   4.158
  165    HG   LEU  25           HG       LEU  25 -17.946 -15.197   4.886
  166   HD11  LEU  25          1HD1      LEU  25 -16.021 -14.341   3.593
  167   HD12  LEU  25          2HD1      LEU  25 -17.471 -13.404   3.271
  168   HD13  LEU  25          3HD1      LEU  25 -16.913 -14.597   2.075
  169   HD21  LEU  25          3HD2      LEU  25 -19.939 -16.089   3.700
  170   HD22  LEU  25          1HD2      LEU  25 -19.267 -15.482   2.166
  171   HD23  LEU  25          2HD2      LEU  25 -19.708 -14.349   3.454
  172    H    ASN  26           H        ASN  26 -16.710 -18.290   6.390
  173    HA   ASN  26           HA       ASN  26 -16.660 -16.265   8.346
  174    HB2  ASN  26           1HB      ASN  26 -15.848 -19.191   8.733
  175    HB3  ASN  26           2HB      ASN  26 -16.338 -18.088  10.004
  176   HD21  ASN  26          1HD2      ASN  26 -17.386 -20.549   9.648
  177   HD22  ASN  26          2HD2      ASN  26 -19.099 -20.381   9.255
  178    H    VAL  27           H        VAL  27 -13.998 -18.522   7.483
  179    HA   VAL  27           HA       VAL  27 -12.161 -17.516   9.378
  180    HB   VAL  27           HB       VAL  27 -12.217 -19.689   7.889
  181   HG11  VAL  27          1HG1      VAL  27 -10.546 -19.891   6.222
  182   HG12  VAL  27          2HG1      VAL  27 -11.707 -18.657   5.735
  183   HG13  VAL  27          3HG1      VAL  27 -10.107 -18.175   6.351
  184   HG21  VAL  27          3HG2      VAL  27 -10.846 -19.307   9.850
  185   HG22  VAL  27          1HG2      VAL  27  -9.892 -20.098   8.583
  186   HG23  VAL  27          2HG2      VAL  27  -9.696 -18.346   8.873
  187    H    HIS  28           H        HIS  28 -12.785 -16.579   6.100
  188    HA   HIS  28           HA       HIS  28 -10.590 -14.830   5.726
  189    HB2  HIS  28           1HB      HIS  28 -11.835 -15.791   3.902
  190    HB3  HIS  28           2HB      HIS  28 -13.331 -15.039   4.428
  191    HD1  HIS  28           1HD      HIS  28 -10.045 -13.971   2.745
  192    HD2  HIS  28           2HD      HIS  28 -13.813 -12.506   3.899
  193    HE1  HIS  28           1HE      HIS  28 -10.188 -11.622   1.807
  194    H    LEU  29           H        LEU  29 -13.864 -14.248   6.997
  195    HA   LEU  29           HA       LEU  29 -13.684 -11.381   7.128
  196    HB2  LEU  29           1HB      LEU  29 -15.337 -13.357   8.719
  197    HB3  LEU  29           2HB      LEU  29 -15.594 -11.618   8.751
  198    HG   LEU  29           HG       LEU  29 -15.781 -13.202   6.171
  199   HD11  LEU  29          1HD1      LEU  29 -17.419 -14.116   7.777
  200   HD12  LEU  29          2HD1      LEU  29 -18.223 -13.200   6.498
  201   HD13  LEU  29          3HD1      LEU  29 -18.016 -12.475   8.110
  202   HD21  LEU  29          3HD2      LEU  29 -15.542 -10.791   5.866
  203   HD22  LEU  29          1HD2      LEU  29 -16.896 -10.505   6.997
  204   HD23  LEU  29          2HD2      LEU  29 -17.168 -11.345   5.457
  205    H    ARG  30           H        ARG  30 -12.431 -13.857   9.259
  206    HA   ARG  30           HA       ARG  30 -11.915 -12.285  11.594
  207    HB2  ARG  30           1HB      ARG  30 -10.203 -14.534  10.446
  208    HB3  ARG  30           2HB      ARG  30 -10.119 -13.898  12.083
  209    HG2  ARG  30           1HG      ARG  30 -12.403 -14.683  12.563
  210    HG3  ARG  30           2HG      ARG  30 -12.575 -15.255  10.903
  211    HD2  ARG  30           1HD      ARG  30 -12.093 -17.140  12.299
  212    HD3  ARG  30           2HD      ARG  30 -10.722 -16.860  11.234
  213    HE   ARG  30           HE       ARG  30 -10.879 -16.288  14.173
  214   HH11  ARG  30          2HH1      ARG  30  -8.781 -16.625  11.377
  215   HH12  ARG  30          1HH1      ARG  30  -7.341 -16.616  12.358
  216   HH21  ARG  30          2HH2      ARG  30  -9.006 -16.280  15.343
  217   HH22  ARG  30          1HH2      ARG  30  -7.472 -16.423  14.537
  218    H    LYS  31           H        LYS  31 -10.144 -12.487   8.538
  219    HA   LYS  31           HA       LYS  31  -7.753 -11.111   9.366
  220    HB2  LYS  31           1HB      LYS  31  -8.938 -11.194   6.555
  221    HB3  LYS  31           2HB      LYS  31  -7.246 -10.953   7.009
  222    HG2  LYS  31           1HG      LYS  31  -7.261 -13.287   7.994
  223    HG3  LYS  31           2HG      LYS  31  -8.903 -13.479   7.346
  224    HD2  LYS  31           1HD      LYS  31  -7.889 -12.843   5.040
  225    HD3  LYS  31           2HD      LYS  31  -6.305 -13.135   5.814
  226    HE2  LYS  31           1HE      LYS  31  -7.266 -15.365   6.607
  227    HE3  LYS  31           2HE      LYS  31  -8.679 -15.022   5.605
  228    HZ1  LYS  31           3HZ      LYS  31  -5.882 -15.323   4.605
  229    HZ2  LYS  31           1HZ      LYS  31  -7.162 -14.980   3.651
  230    HZ3  LYS  31           2HZ      LYS  31  -7.065 -16.424   4.409
  231    H    HIS  32           H        HIS  32 -10.799  -9.973   8.010
  232    HA   HIS  32           HA       HIS  32 -10.052  -7.206   7.776
  233    HB2  HIS  32           1HB      HIS  32 -12.786  -8.537   7.949
  234    HB3  HIS  32           2HB      HIS  32 -12.527  -6.825   7.650
  235    HD1  HIS  32           1HD      HIS  32 -10.730  -6.404   5.411
  236    HD2  HIS  32           2HD      HIS  32 -13.159  -9.822   5.710
  237    HE1  HIS  32           1HE      HIS  32 -10.932  -7.307   3.051
  238    H    THR  33           H        THR  33 -10.596  -8.943  10.701
  239    HA   THR  33           HA       THR  33 -11.563  -6.660  12.256
  240    HB   THR  33           HB       THR  33 -11.103  -7.916  14.219
  241    HG1  THR  33           1HG      THR  33  -9.872  -9.928  12.649
  242   HG21  THR  33          3HG2      THR  33 -12.348  -9.976  13.860
  243   HG22  THR  33          1HG2      THR  33 -12.110  -9.852  12.102
  244   HG23  THR  33          2HG2      THR  33 -13.085  -8.635  12.954
  245    H    GLY  34           H        GLY  34  -8.445  -7.712  11.135
  246    HA2  GLY  34           1HA      GLY  34  -6.928  -6.079  13.089
  247    HA3  GLY  34           2HA      GLY  34  -6.313  -7.299  11.984
  248    H    GLU  35           H        GLU  35  -4.830  -5.137  12.056
  249    HA   GLU  35           HA       GLU  35  -5.565  -3.059  10.126
  250    HB2  GLU  35           1HB      GLU  35  -3.046  -3.725  11.644
  251    HB3  GLU  35           2HB      GLU  35  -3.072  -2.511  10.349
  252    HG2  GLU  35           1HG      GLU  35  -4.760  -1.206  11.462
  253    HG3  GLU  35           2HG      GLU  35  -5.018  -2.450  12.673
  254    H    LYS  36           H        LYS  36  -5.394  -3.040   8.060
  255    HA   LYS  36           HA       LYS  36  -3.918  -5.225   6.649
  256    HB2  LYS  36           1HB      LYS  36  -6.094  -3.396   5.616
  257    HB3  LYS  36           2HB      LYS  36  -5.183  -4.552   4.650
  258    HG2  LYS  36           1HG      LYS  36  -6.224  -5.983   6.944
  259    HG3  LYS  36           2HG      LYS  36  -7.518  -4.986   6.285
  260    HD2  LYS  36           1HD      LYS  36  -7.726  -7.017   5.125
  261    HD3  LYS  36           2HD      LYS  36  -6.894  -5.958   3.972
  262    HE2  LYS  36           1HE      LYS  36  -4.697  -6.968   4.779
  263    HE3  LYS  36           2HE      LYS  36  -5.649  -8.081   5.770
  264    HZ1  LYS  36           3HZ      LYS  36  -5.672  -7.906   2.803
  265    HZ2  LYS  36           1HZ      LYS  36  -6.718  -8.843   3.656
  266    HZ3  LYS  36           2HZ      LYS  36  -5.112  -9.149   3.689
  267    H    PHE  37           H        PHE  37  -2.001  -4.806   6.251
  268    HA   PHE  37           HA       PHE  37  -0.928  -2.112   5.686
  269    HB2  PHE  37           1HB      PHE  37   0.414  -4.816   6.105
  270    HB3  PHE  37           2HB      PHE  37   1.239  -3.275   5.962
  271    HD1  PHE  37           1HD      PHE  37  -0.880  -5.355   8.161
  272    HD2  PHE  37           2HD      PHE  37   1.261  -1.635   7.782
  273    HE1  PHE  37           1HE      PHE  37  -1.117  -4.978  10.591
  274    HE2  PHE  37           2HE      PHE  37   1.024  -1.258  10.213
  275    HZ   PHE  37           HZ       PHE  37  -0.229  -2.902  11.621
  276    H    ALA  38           H        ALA  38  -1.215  -1.470   3.623
  277    HA   ALA  38           HA       ALA  38  -1.317  -3.393   1.410
  278    HB1  ALA  38           1HB      ALA  38  -1.809  -0.391   1.446
  279    HB2  ALA  38           2HB      ALA  38  -2.220  -1.513   0.141
  280    HB3  ALA  38           3HB      ALA  38  -3.060  -1.633   1.703
  281    H    CYS  39           H        CYS  39  -0.088  -3.485  -0.444
  282    HA   CYS  39           HA       CYS  39   2.598  -2.439  -0.420
  283    HB2  CYS  39           1HB      CYS  39   1.894  -4.561  -1.302
  284    HB3  CYS  39           2HB      CYS  39   0.879  -3.770  -2.514
  285    H    ASP  40           H        ASP  40   3.518  -0.883  -1.571
  286    HA   ASP  40           HA       ASP  40   1.824   1.344  -2.524
  287    HB2  ASP  40           1HB      ASP  40   3.802   1.673  -0.984
  288    HB3  ASP  40           2HB      ASP  40   4.854   1.166  -2.304
  289    H    TYR  41           H        TYR  41   3.136  -1.457  -3.842
  290    HA   TYR  41           HA       TYR  41   3.610  -0.267  -6.557
  291    HB2  TYR  41           1HB      TYR  41   4.828  -2.721  -5.237
  292    HB3  TYR  41           2HB      TYR  41   5.077  -2.217  -6.899
  293    HD1  TYR  41           2HD      TYR  41   5.662  -1.480  -3.356
  294    HD2  TYR  41           1HD      TYR  41   6.564  -0.324  -7.401
  295    HE1  TYR  41           2HE      TYR  41   7.561  -0.074  -2.522
  296    HE2  TYR  41           1HE      TYR  41   8.463   1.077  -6.591
  297    HH   TYR  41           HH       TYR  41   9.278   1.361  -3.117
  298    H    CYS  42           H        CYS  42   1.871  -2.760  -4.775
  299    HA   CYS  42           HA       CYS  42   0.216  -3.148  -7.194
  300    HB2  CYS  42           1HB      CYS  42   0.129  -5.562  -7.024
  301    HB3  CYS  42           2HB      CYS  42   1.767  -4.993  -7.345
  302    H    SER  43           H        SER  43  -1.665  -4.835  -6.468
  303    HA   SER  43           HA       SER  43  -3.245  -3.405  -4.480
  304    HB2  SER  43           1HB      SER  43  -5.022  -4.994  -5.181
  305    HB3  SER  43           2HB      SER  43  -4.292  -4.109  -6.526
  306    HG   SER  43           HG       SER  43  -4.513  -6.361  -6.974
  307    H    PHE  44           H        PHE  44  -0.852  -5.559  -3.930
  308    HA   PHE  44           HA       PHE  44  -1.940  -7.570  -2.286
  309    HB2  PHE  44           1HB      PHE  44   0.283  -7.656  -3.103
  310    HB3  PHE  44           2HB      PHE  44   0.748  -6.190  -2.274
  311    HD1  PHE  44           2HD      PHE  44   0.051  -9.806  -1.882
  312    HD2  PHE  44           1HD      PHE  44   1.336  -6.195   0.103
  313    HE1  PHE  44           2HE      PHE  44   0.926 -11.151   0.017
  314    HE2  PHE  44           1HE      PHE  44   2.222  -7.542   1.981
  315    HZ   PHE  44           HZ       PHE  44   2.023 -10.023   1.944
  316    H    THR  45           H        THR  45  -2.183  -7.809  -0.127
  317    HA   THR  45           HA       THR  45  -1.602  -5.661   1.753
  318    HB   THR  45           HB       THR  45  -3.754  -5.907   2.917
  319    HG1  THR  45           1HG      THR  45  -4.656  -7.081   0.505
  320   HG21  THR  45          3HG2      THR  45  -3.408  -3.986   1.554
  321   HG22  THR  45          1HG2      THR  45  -5.101  -4.491   1.434
  322   HG23  THR  45          2HG2      THR  45  -3.974  -4.832   0.092
  323    H    CYS  46           H        CYS  46  -1.399  -6.312   3.869
  324    HA   CYS  46           HA       CYS  46  -1.570  -9.215   4.518
  325    HB2  CYS  46           1HB      CYS  46   0.747  -8.517   3.597
  326    HB3  CYS  46           2HB      CYS  46   0.963  -7.639   5.120
  327    HG   CYS  46           HG       CYS  46   0.293 -10.858   4.545
  328    H    LEU  47           H        LEU  47  -1.028  -9.583   6.889
  329    HA   LEU  47           HA       LEU  47  -2.459  -7.599   8.570
  330    HB2  LEU  47           1HB      LEU  47  -2.117 -10.564   8.549
  331    HB3  LEU  47           2HB      LEU  47  -2.144  -9.842  10.134
  332    HG   LEU  47           HG       LEU  47  -4.344 -10.668   9.302
  333   HD11  LEU  47          1HD1      LEU  47  -5.650  -8.798  10.153
  334   HD12  LEU  47          2HD1      LEU  47  -4.269  -7.703   9.960
  335   HD13  LEU  47          3HD1      LEU  47  -4.194  -9.033  11.134
  336   HD21  LEU  47          3HD2      LEU  47  -4.334  -8.209   7.505
  337   HD22  LEU  47          1HD2      LEU  47  -5.666  -9.346   7.763
  338   HD23  LEU  47          2HD2      LEU  47  -4.190  -9.898   6.946
  339    H    SER  48           H        SER  48   0.649  -7.854   7.766
  340    HA   SER  48           HA       SER  48   1.484  -6.496  10.257
  341    HB2  SER  48           1HB      SER  48   2.187  -8.766  10.719
  342    HB3  SER  48           2HB      SER  48   2.937  -8.906   9.118
  343    HG   SER  48           HG       SER  48   4.368  -8.369  10.953
  344    H    LYS  49           H        LYS  49   2.697  -4.855   9.961
  345    HA   LYS  49           HA       LYS  49   3.545  -3.759   7.465
  346    HB2  LYS  49           1HB      LYS  49   5.142  -2.466   9.081
  347    HB3  LYS  49           2HB      LYS  49   3.419  -2.136   9.051
  348    HG2  LYS  49           1HG      LYS  49   3.101  -3.471  11.100
  349    HG3  LYS  49           2HG      LYS  49   4.831  -3.882  11.117
  350    HD2  LYS  49           1HD      LYS  49   5.425  -1.537  11.450
  351    HD3  LYS  49           2HD      LYS  49   3.734  -1.033  11.228
  352    HE2  LYS  49           1HE      LYS  49   3.059  -2.329  13.208
  353    HE3  LYS  49           2HE      LYS  49   4.725  -2.876  13.444
  354    HZ1  LYS  49           3HZ      LYS  49   3.827  -0.043  13.586
  355    HZ2  LYS  49           1HZ      LYS  49   5.367  -0.548  13.804
  356    HZ3  LYS  49           2HZ      LYS  49   4.209  -0.976  14.869
  357    H    GLY  50           H        GLY  50   5.152  -5.995   9.689
  358    HA2  GLY  50           1HA      GLY  50   7.804  -5.826   8.506
  359    HA3  GLY  50           2HA      GLY  50   7.175  -7.088   9.575
  360    H    HIS  51           H        HIS  51   4.992  -8.041   8.047
  361    HA   HIS  51           HA       HIS  51   6.286  -9.614   5.972
  362    HB2  HIS  51           1HB      HIS  51   3.359  -9.222   6.658
  363    HB3  HIS  51           2HB      HIS  51   3.990 -10.426   5.530
  364    HD1  HIS  51           1HD      HIS  51   2.359 -11.446   7.975
  365    HD2  HIS  51           2HD      HIS  51   6.542 -10.987   7.858
  366    HE1  HIS  51           1HE      HIS  51   3.301 -12.989   9.776
  367    H    LEU  52           H        LEU  52   4.202  -6.691   5.895
  368    HA   LEU  52           HA       LEU  52   4.066  -6.433   3.061
  369    HB2  LEU  52           1HB      LEU  52   2.658  -5.106   4.507
  370    HB3  LEU  52           2HB      LEU  52   4.055  -4.405   5.321
  371    HG   LEU  52           HG       LEU  52   4.726  -3.242   3.234
  372   HD11  LEU  52          1HD1      LEU  52   2.095  -4.319   2.128
  373   HD12  LEU  52          2HD1      LEU  52   3.721  -4.764   1.555
  374   HD13  LEU  52          3HD1      LEU  52   3.167  -3.107   1.388
  375   HD21  LEU  52          3HD2      LEU  52   1.850  -2.646   3.935
  376   HD22  LEU  52          1HD2      LEU  52   3.062  -1.537   3.281
  377   HD23  LEU  52          2HD2      LEU  52   3.245  -2.159   4.929
  378    H    LYS  53           H        LYS  53   6.593  -5.217   5.357
  379    HA   LYS  53           HA       LYS  53   8.306  -4.085   3.373
  380    HB2  LYS  53           1HB      LYS  53   8.696  -3.579   5.647
  381    HB3  LYS  53           2HB      LYS  53   8.795  -5.271   6.126
  382    HG2  LYS  53           1HG      LYS  53  10.892  -5.588   4.978
  383    HG3  LYS  53           2HG      LYS  53  10.828  -3.976   4.264
  384    HD2  LYS  53           1HD      LYS  53  10.933  -4.550   7.261
  385    HD3  LYS  53           2HD      LYS  53  12.362  -4.237   6.259
  386    HE2  LYS  53           1HE      LYS  53  11.433  -2.006   5.642
  387    HE3  LYS  53           2HE      LYS  53  10.044  -2.298   6.697
  388    HZ1  LYS  53           3HZ      LYS  53  11.589  -2.439   8.581
  389    HZ2  LYS  53           1HZ      LYS  53  11.751  -1.000   7.830
  390    HZ3  LYS  53           2HZ      LYS  53  12.871  -2.163   7.605
  391    H    VAL  54           H        VAL  54   8.315  -7.451   4.676
  392    HA   VAL  54           HA       VAL  54  10.357  -8.403   2.953
  393    HB   VAL  54           HB       VAL  54   8.007  -9.902   4.176
  394   HG11  VAL  54          1HG1      VAL  54  10.470 -10.974   2.726
  395   HG12  VAL  54          2HG1      VAL  54   9.439 -11.952   3.804
  396   HG13  VAL  54          3HG1      VAL  54   8.762 -11.271   2.327
  397   HG21  VAL  54          3HG2      VAL  54  10.957  -9.773   4.928
  398   HG22  VAL  54          1HG2      VAL  54   9.663  -8.892   5.757
  399   HG23  VAL  54          2HG2      VAL  54   9.673 -10.658   5.789
  400    H    HIS  55           H        HIS  55   6.831  -8.207   2.323
  401    HA   HIS  55           HA       HIS  55   6.829  -9.450  -0.210
  402    HB2  HIS  55           1HB      HIS  55   4.744  -8.953   0.858
  403    HB3  HIS  55           2HB      HIS  55   5.105  -7.234   0.946
  404    HD1  HIS  55           1HD      HIS  55   4.069  -9.852  -1.674
  405    HD2  HIS  55           2HD      HIS  55   4.548  -5.710  -1.138
  406    HE1  HIS  55           1HE      HIS  55   3.127  -8.769  -3.766
  407    H    ILE  56           H        ILE  56   7.421  -5.954   0.518
  408    HA   ILE  56           HA       ILE  56   7.914  -5.319  -2.281
  409    HB   ILE  56           HB       ILE  56   8.586  -3.829   0.265
  410   HG12  ILE  56          1HG1      ILE  56   6.327  -3.294  -1.713
  411   HG13  ILE  56          2HG1      ILE  56   6.114  -4.246  -0.255
  412   HG21  ILE  56          1HG2      ILE  56  10.035  -3.127  -1.652
  413   HG22  ILE  56          2HG2      ILE  56   8.574  -2.829  -2.623
  414   HG23  ILE  56          3HG2      ILE  56   8.920  -1.850  -1.182
  415   HD11  ILE  56          3HD1      ILE  56   6.883  -1.317  -0.309
  416   HD12  ILE  56          1HD1      ILE  56   5.333  -2.029   0.170
  417   HD13  ILE  56          2HD1      ILE  56   6.777  -2.339   1.151
  418    H    GLU  57           H        GLU  57  10.043  -6.179   0.424
  419    HA   GLU  57           HA       GLU  57  12.543  -5.805  -0.953
  420    HB2  GLU  57           1HB      GLU  57  11.700  -7.520   1.403
  421    HB3  GLU  57           2HB      GLU  57  13.370  -7.306   0.943
  422    HG2  GLU  57           1HG      GLU  57  11.732  -4.823   1.490
  423    HG3  GLU  57           2HG      GLU  57  12.225  -5.860   2.822
  424    H    ARG  58           H        ARG  58  10.229  -8.275  -1.288
  425    HA   ARG  58           HA       ARG  58  12.224  -9.997  -2.751
  426    HB2  ARG  58           1HB      ARG  58  11.132 -11.920  -2.172
  427    HB3  ARG  58           2HB      ARG  58  10.997 -10.928  -0.739
  428    HG2  ARG  58           1HG      ARG  58   8.653 -10.306  -1.487
  429    HG3  ARG  58           2HG      ARG  58   8.806 -11.540  -2.746
  430    HD2  ARG  58           1HD      ARG  58   9.103 -12.034   0.240
  431    HD3  ARG  58           2HD      ARG  58   7.617 -12.310  -0.685
  432    HE   ARG  58           HE       ARG  58   9.609 -13.760  -2.021
  433   HH11  ARG  58          2HH1      ARG  58   8.146 -13.916   1.161
  434   HH12  ARG  58          1HH1      ARG  58   8.476 -15.619   1.326
  435   HH21  ARG  58          2HH2      ARG  58  10.000 -15.928  -1.741
  436   HH22  ARG  58          1HH2      ARG  58   9.490 -16.721  -0.280
  437    H    VAL  59           H        VAL  59   8.952  -8.616  -3.117
  438    HA   VAL  59           HA       VAL  59   8.807  -9.758  -5.791
  439    HB   VAL  59           HB       VAL  59   6.769  -7.987  -4.390
  440   HG11  VAL  59          1HG1      VAL  59   6.453  -7.984  -6.833
  441   HG12  VAL  59          2HG1      VAL  59   6.521  -9.763  -6.853
  442   HG13  VAL  59          3HG1      VAL  59   5.184  -8.918  -6.043
  443   HG21  VAL  59          3HG2      VAL  59   5.524 -10.170  -4.107
  444   HG22  VAL  59          1HG2      VAL  59   6.995 -11.021  -4.621
  445   HG23  VAL  59          2HG2      VAL  59   6.978 -10.046  -3.131
  446    H    HIS  60           H        HIS  60   8.837  -6.462  -4.385
  447    HA   HIS  60           HA       HIS  60   9.292  -5.262  -7.055
  448    HB2  HIS  60           1HB      HIS  60   8.502  -3.894  -4.505
  449    HB3  HIS  60           2HB      HIS  60   8.455  -3.234  -6.138
  450    HD1  HIS  60           1HD      HIS  60   6.574  -4.624  -7.817
  451    HD2  HIS  60           2HD      HIS  60   6.356  -5.031  -3.640
  452    HE1  HIS  60           1HE      HIS  60   4.238  -5.514  -7.327
  453    H    LYS  61           H        LYS  61  11.366  -6.614  -5.371
  454    HA   LYS  61           HA       LYS  61  13.346  -4.628  -4.655
  455    HB2  LYS  61           1HB      LYS  61  13.202  -6.814  -3.630
  456    HB3  LYS  61           2HB      LYS  61  13.413  -7.628  -5.166
  457    HG2  LYS  61           1HG      LYS  61  15.423  -7.770  -3.815
  458    HG3  LYS  61           2HG      LYS  61  15.720  -6.939  -5.326
  459    HD2  LYS  61           1HD      LYS  61  16.931  -5.961  -3.399
  460    HD3  LYS  61           2HD      LYS  61  15.877  -4.782  -4.182
  461    HE2  LYS  61           1HE      LYS  61  14.173  -5.077  -2.456
  462    HE3  LYS  61           2HE      LYS  61  15.112  -6.376  -1.702
  463    HZ1  LYS  61           3HZ      LYS  61  15.390  -4.266  -0.559
  464    HZ2  LYS  61           1HZ      LYS  61  15.990  -3.540  -1.899
  465    HZ3  LYS  61           2HZ      LYS  61  16.831  -4.749  -1.173
  466    H    LYS  62           H        LYS  62  15.055  -3.879  -5.773
  467    HA   LYS  62           HA       LYS  62  16.090  -2.904  -7.513
  468    HB2  LYS  62           1HB      LYS  62  16.121  -5.735  -8.620
  469    HB3  LYS  62           2HB      LYS  62  17.126  -4.401  -9.198
  470    HG2  LYS  62           1HG      LYS  62  18.142  -4.177  -6.936
  471    HG3  LYS  62           2HG      LYS  62  17.227  -5.582  -6.392
  472    HD2  LYS  62           1HD      LYS  62  19.269  -5.577  -8.655
  473    HD3  LYS  62           2HD      LYS  62  19.567  -6.121  -6.998
  474    HE2  LYS  62           1HE      LYS  62  17.806  -7.866  -7.253
  475    HE3  LYS  62           2HE      LYS  62  17.543  -7.350  -8.924
  476    HZ1  LYS  62           3HZ      LYS  62  20.099  -8.436  -7.865
  477    HZ2  LYS  62           1HZ      LYS  62  19.854  -7.955  -9.408
  478    HZ3  LYS  62           2HZ      LYS  62  19.051  -9.246  -8.818
  479    H    ILE  63           H        ILE  63  13.636  -2.225  -7.598
  480    HA   ILE  63           HA       ILE  63  12.578  -2.505 -10.353
  481    HB   ILE  63           HB       ILE  63  11.148  -2.963  -8.362
  482   HG12  ILE  63          1HG1      ILE  63  10.056  -0.796 -10.194
  483   HG13  ILE  63          2HG1      ILE  63  10.297  -2.483 -10.664
  484   HG21  ILE  63          1HG2      ILE  63  11.946  -1.001  -6.974
  485   HG22  ILE  63          2HG2      ILE  63  11.021   0.072  -8.049
  486   HG23  ILE  63          3HG2      ILE  63  10.195  -1.153  -7.066
  487   HD11  ILE  63          3HD1      ILE  63   7.979  -2.145 -10.062
  488   HD12  ILE  63          1HD1      ILE  63   8.738  -3.196  -8.848
  489   HD13  ILE  63          2HD1      ILE  63   8.425  -1.481  -8.484
  490    H    LYS  64           H        LYS  64  12.007  -0.762 -11.654
  491    HA   LYS  64           HA       LYS  64  13.708   1.561 -11.588
  492    HB2  LYS  64           1HB      LYS  64  12.491   2.278 -13.577
  493    HB3  LYS  64           2HB      LYS  64  12.991   0.592 -13.693
  494    HG2  LYS  64           1HG      LYS  64  10.683  -0.140 -13.114
  495    HG3  LYS  64           2HG      LYS  64  10.183   1.557 -12.974
  496    HD2  LYS  64           1HD      LYS  64  10.671   1.928 -15.362
  497    HD3  LYS  64           2HD      LYS  64  11.324   0.293 -15.501
  498    HE2  LYS  64           1HE      LYS  64   9.120   0.269 -16.435
  499    HE3  LYS  64           2HE      LYS  64   9.100  -0.662 -14.937
  500    HZ1  LYS  64           3HZ      LYS  64   7.182   0.827 -15.119
  501    HZ2  LYS  64           1HZ      LYS  64   8.137   2.142 -15.215
  502    HZ3  LYS  64           2HZ      LYS  64   8.081   1.263 -13.833
  503    H    GLN  65           H        GLN  65  13.145   3.728 -11.490
  504    HA   GLN  65           HA       GLN  65  10.689   4.571 -10.026
  505    HB2  GLN  65           1HB      GLN  65  13.552   5.135  -9.136
  506    HB3  GLN  65           2HB      GLN  65  12.112   5.833  -8.408
  507    HG2  GLN  65           1HG      GLN  65  12.815   2.868  -8.356
  508    HG3  GLN  65           2HG      GLN  65  13.144   4.034  -7.094
  509   HE21  GLN  65          1HE2      GLN  65  11.813   1.988  -6.150
  510   HE22  GLN  65          2HE2      GLN  65  10.142   2.415  -5.855
  511    H    HIS  66           H        HIS  66  10.823   7.127  -9.778
  512    HA   HIS  66           HA       HIS  66  12.539   8.370 -11.801
  513    HB2  HIS  66           1HB      HIS  66  10.904   9.609 -12.932
  514    HB3  HIS  66           2HB      HIS  66  10.355   7.942 -12.958
  515    HD1  HIS  66           1HD      HIS  66   8.064   7.443 -11.541
  516    HD2  HIS  66           2HD      HIS  66   9.471  11.405 -11.556
  517    HE1  HIS  66           1HE      HIS  66   6.163   8.879 -10.632
  518    H    CYS  67           H        CYS  67  12.982  10.535 -11.532
  519    HA   CYS  67           HA       CYS  67  13.216  11.412  -8.805
  520    HB2  CYS  67           1HB      CYS  67  14.926  11.642 -10.551
  521    HB3  CYS  67           2HB      CYS  67  13.843  12.675 -11.492
  522    H    ARG  68           H        ARG  68  12.088  12.798  -7.647
  523    HA   ARG  68           HA       ARG  68   9.608  13.954  -8.712
  524    HB2  ARG  68           1HB      ARG  68   8.979  14.402  -6.483
  525    HB3  ARG  68           2HB      ARG  68   9.715  12.819  -6.528
  526    HG2  ARG  68           1HG      ARG  68  10.678  13.614  -4.620
  527    HG3  ARG  68           2HG      ARG  68  11.915  14.077  -5.775
  528    HD2  ARG  68           1HD      ARG  68  11.568  15.883  -4.247
  529    HD3  ARG  68           2HD      ARG  68  10.949  16.421  -5.790
  530    HE   ARG  68           HE       ARG  68   9.398  15.627  -3.359
  531   HH11  ARG  68          2HH1      ARG  68   9.137  17.025  -6.593
  532   HH12  ARG  68          1HH1      ARG  68   7.622  17.789  -6.197
  533   HH21  ARG  68          1HH2      ARG  68   7.447  16.569  -2.999
  534   HH22  ARG  68          2HH2      ARG  68   6.679  17.498  -4.252
  535    H    PHE  69           H        PHE  69  12.719  15.068  -8.841
  536    HA   PHE  69           HA       PHE  69  11.914  17.949  -8.635
  537    HB2  PHE  69           1HB      PHE  69  14.651  16.691  -8.723
  538    HB3  PHE  69           2HB      PHE  69  14.309  18.392  -8.498
  539    HD1  PHE  69           2HD      PHE  69  13.330  19.211  -6.343
  540    HD2  PHE  69           1HD      PHE  69  14.542  15.109  -6.894
  541    HE1  PHE  69           2HE      PHE  69  13.440  18.909  -3.880
  542    HE2  PHE  69           1HE      PHE  69  14.657  14.812  -4.430
  543    HZ   PHE  69           HZ       PHE  69  14.123  16.717  -2.922
  544    H    CYS  70           H        CYS  70  13.341  15.588 -10.912
  545    HA   CYS  70           HA       CYS  70  13.013  17.576 -13.106
  546    HB2  CYS  70           1HB      CYS  70  15.096  17.018 -14.077
  547    HB3  CYS  70           2HB      CYS  70  15.326  17.577 -12.425
  548    H    LYS  71           H        LYS  71  11.784  14.764 -12.105
  549    HA   LYS  71           HA       LYS  71  10.675  13.018 -13.006
  550    HB2  LYS  71           1HB      LYS  71  10.419  14.808 -15.436
  551    HB3  LYS  71           2HB      LYS  71   9.437  13.395 -15.110
  552    HG2  LYS  71           1HG      LYS  71   9.538  15.888 -13.352
  553    HG3  LYS  71           2HG      LYS  71   8.324  15.560 -14.572
  554    HD2  LYS  71           1HD      LYS  71   8.778  13.833 -12.093
  555    HD3  LYS  71           2HD      LYS  71   7.554  15.093 -12.267
  556    HE2  LYS  71           1HE      LYS  71   6.590  13.887 -14.227
  557    HE3  LYS  71           2HE      LYS  71   7.751  12.577 -13.982
  558    HZ1  LYS  71           3HZ      LYS  71   5.739  13.425 -11.963
  559    HZ2  LYS  71           1HZ      LYS  71   6.760  12.145 -11.822
  560    HZ3  LYS  71           2HZ      LYS  71   5.581  12.131 -12.943
  561    H    LYS  72           H        LYS  72  13.700  13.310 -13.758
  562    HA   LYS  72           HA       LYS  72  14.114  11.578 -15.995
  563    HB2  LYS  72           1HB      LYS  72  15.808  13.109 -14.838
  564    HB3  LYS  72           2HB      LYS  72  15.907  11.920 -13.553
  565    HG2  LYS  72           1HG      LYS  72  16.736  10.223 -15.098
  566    HG3  LYS  72           2HG      LYS  72  16.441  11.273 -16.494
  567    HD2  LYS  72           1HD      LYS  72  18.178  12.819 -15.799
  568    HD3  LYS  72           2HD      LYS  72  18.383  11.980 -14.253
  569    HE2  LYS  72           1HE      LYS  72  18.975   9.883 -15.574
  570    HE3  LYS  72           2HE      LYS  72  18.995  10.884 -17.035
  571    HZ1  LYS  72           3HZ      LYS  72  20.742  12.239 -15.951
  572    HZ2  LYS  72           1HZ      LYS  72  21.214  10.682 -16.082
  573    HZ3  LYS  72           2HZ      LYS  72  20.708  11.253 -14.637
  574    H    LYS  73           H        LYS  73  14.163   9.386 -16.201
  575    HA   LYS  73           HA       LYS  73  13.115   7.702 -14.011
  576    HB2  LYS  73           1HB      LYS  73  13.747   7.178 -16.931
  577    HB3  LYS  73           2HB      LYS  73  13.280   5.896 -15.802
  578    HG2  LYS  73           1HG      LYS  73  11.137   6.892 -15.368
  579    HG3  LYS  73           2HG      LYS  73  11.586   8.389 -16.179
  580    HD2  LYS  73           1HD      LYS  73  10.088   7.113 -17.595
  581    HD3  LYS  73           2HD      LYS  73  11.681   7.234 -18.353
  582    HE2  LYS  73           1HE      LYS  73  12.226   4.934 -17.566
  583    HE3  LYS  73           2HE      LYS  73  10.638   4.823 -16.794
  584    HZ1  LYS  73           3HZ      LYS  73  11.095   5.167 -19.713
  585    HZ2  LYS  73           1HZ      LYS  73   9.628   5.055 -19.004
  586    HZ3  LYS  73           2HZ      LYS  73  10.640   3.776 -18.993
  587    H    TYR  74           H        TYR  74  14.119   6.117 -12.968
  588    HA   TYR  74           HA       TYR  74  17.067   5.784 -13.297
  589    HB2  TYR  74           1HB      TYR  74  15.503   6.647 -10.881
  590    HB3  TYR  74           2HB      TYR  74  16.869   5.563 -10.641
  591    HD1  TYR  74           1HD      TYR  74  15.917   8.907 -12.027
  592    HD2  TYR  74           2HD      TYR  74  19.112   6.245 -10.919
  593    HE1  TYR  74           1HE      TYR  74  17.581  10.633 -12.706
  594    HE2  TYR  74           2HE      TYR  74  20.788   7.946 -11.638
  595    HH   TYR  74           HH       TYR  74  21.122   9.943 -12.630
  596    H    SER  75           H        SER  75  17.937   3.835 -12.986
  597    HA   SER  75           HA       SER  75  16.265   1.572 -13.537
  598    HB2  SER  75           1HB      SER  75  18.470   0.370 -13.508
  599    HB3  SER  75           2HB      SER  75  18.426   1.799 -14.554
  600    HG   SER  75           HG       SER  75  20.319   1.795 -13.320
  601    H    ASP  76           H        ASP  76  17.534   2.827 -10.567
  602    HA   ASP  76           HA       ASP  76  16.249   0.698  -8.995
  603    HB2  ASP  76           1HB      ASP  76  18.743   0.101  -9.455
  604    HB3  ASP  76           2HB      ASP  76  19.139   1.472  -8.429
  605    H    VAL  77           H        VAL  77  15.656   1.463  -6.893
  606    HA   VAL  77           HA       VAL  77  15.374   4.303  -6.547
  607    HB   VAL  77           HB       VAL  77  13.941   2.521  -5.481
  608   HG11  VAL  77          1HG1      VAL  77  14.533   1.528  -3.376
  609   HG12  VAL  77          2HG1      VAL  77  15.756   1.060  -4.566
  610   HG13  VAL  77          3HG1      VAL  77  16.115   2.322  -3.363
  611   HG21  VAL  77          3HG2      VAL  77  13.848   4.900  -4.806
  612   HG22  VAL  77          1HG2      VAL  77  13.495   3.801  -3.461
  613   HG23  VAL  77          2HG2      VAL  77  15.082   4.591  -3.565
  614    H    LYS  78           H        LYS  78  17.927   2.043  -5.411
  615    HA   LYS  78           HA       LYS  78  19.242   3.982  -3.702
  616    HB2  LYS  78           1HB      LYS  78  20.364   1.539  -5.136
  617    HB3  LYS  78           2HB      LYS  78  21.182   2.435  -3.861
  618    HG2  LYS  78           1HG      LYS  78  18.569   0.888  -3.541
  619    HG3  LYS  78           2HG      LYS  78  20.172   0.367  -3.021
  620    HD2  LYS  78           1HD      LYS  78  20.289   2.336  -1.474
  621    HD3  LYS  78           2HD      LYS  78  18.622   2.760  -1.930
  622    HE2  LYS  78           1HE      LYS  78  17.836   0.548  -1.150
  623    HE3  LYS  78           2HE      LYS  78  19.491   0.105  -0.710
  624    HZ1  LYS  78           3HZ      LYS  78  17.950   2.342   0.502
  625    HZ2  LYS  78           1HZ      LYS  78  19.481   1.933   0.905
  626    HZ3  LYS  78           2HZ      LYS  78  18.254   0.908   1.217
  627    H    ASN  79           H        ASN  79  19.468   3.363  -7.171
  628    HA   ASN  79           HA       ASN  79  21.718   5.170  -7.567
  629    HB2  ASN  79           1HB      ASN  79  19.632   4.055  -9.509
  630    HB3  ASN  79           2HB      ASN  79  21.043   4.990  -9.989
  631   HD21  ASN  79          1HD2      ASN  79  20.571   2.408 -11.029
  632   HD22  ASN  79          2HD2      ASN  79  21.849   1.382 -10.401
  633    H    LEU  80           H        LEU  80  18.174   5.532  -7.622
  634    HA   LEU  80           HA       LEU  80  18.099   8.221  -8.524
  635    HB2  LEU  80           1HB      LEU  80  16.142   6.681  -8.388
  636    HB3  LEU  80           2HB      LEU  80  16.257   6.750  -6.624
  637    HG   LEU  80           HG       LEU  80  15.716   9.125  -6.606
  638   HD11  LEU  80          1HD1      LEU  80  14.993  10.290  -8.595
  639   HD12  LEU  80          2HD1      LEU  80  15.296   8.859  -9.608
  640   HD13  LEU  80          3HD1      LEU  80  16.639   9.749  -8.855
  641   HD21  LEU  80          3HD2      LEU  80  13.383   8.950  -7.273
  642   HD22  LEU  80          1HD2      LEU  80  13.903   7.435  -6.514
  643   HD23  LEU  80          2HD2      LEU  80  13.745   7.538  -8.284
  644    H    ILE  81           H        ILE  81  18.436   6.915  -5.178
  645    HA   ILE  81           HA       ILE  81  18.291   9.397  -3.812
  646    HB   ILE  81           HB       ILE  81  20.133   7.137  -2.989
  647   HG12  ILE  81          1HG1      ILE  81  18.187   5.992  -3.357
  648   HG13  ILE  81          2HG1      ILE  81  18.267   6.233  -1.666
  649   HG21  ILE  81          1HG2      ILE  81  19.571   7.943  -0.694
  650   HG22  ILE  81          2HG2      ILE  81  20.395   9.170  -1.661
  651   HG23  ILE  81          3HG2      ILE  81  18.639   9.276  -1.413
  652   HD11  ILE  81          3HD1      ILE  81  16.610   8.115  -1.828
  653   HD12  ILE  81          1HD1      ILE  81  16.446   7.765  -3.564
  654   HD13  ILE  81          2HD1      ILE  81  15.971   6.552  -2.365
  655    H    LYS  82           H        LYS  82  21.153   7.734  -5.161
  656    HA   LYS  82           HA       LYS  82  23.043   9.754  -4.439
  657    HB2  LYS  82           1HB      LYS  82  23.555   7.395  -5.102
  658    HB3  LYS  82           2HB      LYS  82  23.153   7.786  -6.783
  659    HG2  LYS  82           1HG      LYS  82  24.974   9.462  -6.836
  660    HG3  LYS  82           2HG      LYS  82  25.368   9.118  -5.147
  661    HD2  LYS  82           1HD      LYS  82  25.532   7.114  -7.447
  662    HD3  LYS  82           2HD      LYS  82  26.895   8.035  -6.793
  663    HE2  LYS  82           1HE      LYS  82  26.517   6.990  -4.556
  664    HE3  LYS  82           2HE      LYS  82  25.209   6.018  -5.242
  665    HZ1  LYS  82           3HZ      LYS  82  28.050   5.906  -6.110
  666    HZ2  LYS  82           1HZ      LYS  82  26.840   5.008  -6.749
  667    HZ3  LYS  82           2HZ      LYS  82  27.296   4.783  -5.199
  668    H    HIS  83           H        HIS  83  21.080   9.439  -7.431
  669    HA   HIS  83           HA       HIS  83  22.044  11.830  -8.725
  670    HB2  HIS  83           1HB      HIS  83  20.746  10.305  -9.995
  671    HB3  HIS  83           2HB      HIS  83  19.441  10.268  -8.821
  672    HD1  HIS  83           1HD      HIS  83  20.883  12.679 -11.462
  673    HD2  HIS  83           2HD      HIS  83  17.513  12.044  -9.035
  674    HE1  HIS  83           1HE      HIS  83  19.153  14.361 -12.241
  675    H    ILE  84           H        ILE  84  19.333  11.436  -6.389
  676    HA   ILE  84           HA       ILE  84  18.669  14.222  -6.304
  677    HB   ILE  84           HB       ILE  84  18.292  11.916  -4.387
  678   HG12  ILE  84          1HG1      ILE  84  16.240  13.527  -5.965
  679   HG13  ILE  84          2HG1      ILE  84  17.058  12.126  -6.644
  680   HG21  ILE  84          1HG2      ILE  84  17.319  14.777  -4.007
  681   HG22  ILE  84          2HG2      ILE  84  16.736  13.377  -3.083
  682   HG23  ILE  84          3HG2      ILE  84  18.415  13.868  -2.937
  683   HD11  ILE  84          3HD1      ILE  84  16.235  10.725  -4.769
  684   HD12  ILE  84          1HD1      ILE  84  15.254  12.101  -4.210
  685   HD13  ILE  84          2HD1      ILE  84  14.952  11.393  -5.811
  686    H    ARG  85           H        ARG  85  20.939  12.345  -4.281
  687    HA   ARG  85           HA       ARG  85  21.919  14.621  -2.806
  688    HB2  ARG  85           1HB      ARG  85  23.093  11.867  -3.372
  689    HB3  ARG  85           2HB      ARG  85  23.877  13.060  -2.333
  690    HG2  ARG  85           1HG      ARG  85  21.724  13.258  -1.030
  691    HG3  ARG  85           2HG      ARG  85  21.094  11.864  -1.888
  692    HD2  ARG  85           1HD      ARG  85  22.633  10.391  -0.894
  693    HD3  ARG  85           2HD      ARG  85  23.751  11.682  -0.442
  694    HE   ARG  85           HE       ARG  85  21.432  10.768   1.072
  695   HH11  ARG  85          2HH2      ARG  85  23.567  13.572   0.665
  696   HH12  ARG  85          1HH2      ARG  85  23.007  14.234   2.208
  697   HH21  ARG  85          2HH1      ARG  85  20.896  11.810   3.048
  698   HH22  ARG  85          1HH1      ARG  85  21.690  13.352   3.387
  699    H    ASP  86           H        ASP  86  22.725  13.685  -6.034
  700    HA   ASP  86           HA       ASP  86  25.164  15.388  -6.026
  701    HB2  ASP  86           1HB      ASP  86  23.944  13.489  -8.053
  702    HB3  ASP  86           2HB      ASP  86  25.299  14.551  -8.400
  703    H    ALA  87           H        ALA  87  21.926  15.356  -7.544
  704    HA   ALA  87           HA       ALA  87  22.508  17.947  -8.889
  705    HB1  ALA  87           1HB      ALA  87  21.826  16.002 -10.246
  706    HB2  ALA  87           2HB      ALA  87  20.307  15.889  -9.326
  707    HB3  ALA  87           3HB      ALA  87  20.635  17.314 -10.332
  708    H    HIS  88           H        HIS  88  20.389  16.613  -6.396
  709    HA   HIS  88           HA       HIS  88  18.943  19.217  -6.131
  710    HB2  HIS  88           1HB      HIS  88  17.758  16.455  -5.744
  711    HB3  HIS  88           2HB      HIS  88  16.925  17.994  -5.838
  712    HD1  HIS  88           1HD      HIS  88  17.535  19.150  -8.582
  713    HD2  HIS  88           2HD      HIS  88  17.316  15.034  -7.780
  714    HE1  HIS  88           1HE      HIS  88  17.008  18.035 -10.811
  715    H    ASP  89           H        ASP  89  21.267  18.296  -4.615
  716    HA   ASP  89           HA       ASP  89  20.755  16.824  -2.419
  717    HB2  ASP  89           1HB      ASP  89  22.862  17.295  -1.657
  718    HB3  ASP  89           2HB      ASP  89  22.969  17.627  -3.381
  719    HA   PRO  90           HA       PRO  90  18.603  19.358   0.522
  720    HB2  PRO  90           1HB      PRO  90  18.372  17.645   2.606
  721    HB3  PRO  90           2HB      PRO  90  17.691  17.237   1.001
  722    HG2  PRO  90           1HG      PRO  90  20.386  16.401   2.141
  723    HG3  PRO  90           2HG      PRO  90  19.121  15.347   1.432
  724    HD2  PRO  90           1HD      PRO  90  21.245  16.306  -0.027
  725    HD3  PRO  90           2HD      PRO  90  19.627  16.037  -0.742
  726    H    GLN  91           H        GLN  91  21.795  19.212   0.654
  727    HA   GLN  91           HA       GLN  91  23.530  19.714   1.984
  728    HB2  GLN  91           1HB      GLN  91  22.273  21.911   1.553
  729    HB3  GLN  91           2HB      GLN  91  21.811  21.855   3.255
  730    HG2  GLN  91           1HG      GLN  91  24.240  21.814   3.880
  731    HG3  GLN  91           2HG      GLN  91  24.670  21.815   2.168
  732   HE21  GLN  91          1HE2      GLN  91  24.060  23.788   0.870
  733   HE22  GLN  91          2HE2      GLN  91  23.924  25.316   1.730
  734    H    ASP  92           H        ASP  92  22.202  17.517   2.947
  735    HA   ASP  92           HA       ASP  92  22.867  17.492   5.836
  736    HB2  ASP  92           1HB      ASP  92  20.465  18.014   5.722
  737    HB3  ASP  92           2HB      ASP  92  20.190  16.621   4.682
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1   1.156  21.786  36.077
    2    H2   GLY   1           2H       GLY   1   1.453  23.109  36.993
    3    H3   GLY   1           3H       GLY   1  -0.090  22.699  36.625
    4    HA2  GLY   1           1HA      GLY   1   0.374  22.107  38.902
    5    HA3  GLY   1           2HA      GLY   1   0.073  20.671  37.907
    6    H    SER   2           H        SER   2   1.259  19.410  39.454
    7    HA   SER   2           HA       SER   2   4.087  19.889  39.964
    8    HB2  SER   2           1HB      SER   2   3.946  17.691  41.126
    9    HB3  SER   2           2HB      SER   2   2.776  18.892  41.691
   10    HG   SER   2           HG       SER   2   1.824  16.819  41.375
   11    H    SER   3           H        SER   3   5.783  18.330  39.508
   12    HA   SER   3           HA       SER   3   5.845  17.517  36.709
   13    HB2  SER   3           1HB      SER   3   8.193  16.877  37.255
   14    HB3  SER   3           2HB      SER   3   7.788  18.566  37.601
   15    HG   SER   3           HG       SER   3   8.966  17.577  39.315
   16    H    GLY   4           H        GLY   4   6.459  15.421  35.947
   17    HA2  GLY   4           1HA      GLY   4   4.963  13.234  37.104
   18    HA3  GLY   4           2HA      GLY   4   6.021  13.158  35.699
   19    H    SER   5           H        SER   5   5.726  11.212  37.854
   20    HA   SER   5           HA       SER   5   8.060  11.342  39.581
   21    HB2  SER   5           1HB      SER   5   7.295   9.086  40.290
   22    HB3  SER   5           2HB      SER   5   6.045  10.334  40.397
   23    HG   SER   5           HG       SER   5   5.266   8.391  39.433
   24    H    SER   6           H        SER   6   7.609  10.185  36.355
   25    HA   SER   6           HA       SER   6  10.392   9.209  36.284
   26    HB2  SER   6           1HB      SER   6   9.763   7.159  35.059
   27    HB3  SER   6           2HB      SER   6   9.159   7.176  36.723
   28    HG   SER   6           HG       SER   6   7.522   6.483  35.350
   29    H    GLY   7           H        GLY   7  11.395   9.340  34.280
   30    HA2  GLY   7           1HA      GLY   7  10.418  11.450  32.566
   31    HA3  GLY   7           2HA      GLY   7  11.921  10.544  32.391
   32    H    LYS   8           H        LYS   8  10.316   7.967  32.282
   33    HA   LYS   8           HA       LYS   8   9.696   6.495  30.632
   34    HB2  LYS   8           1HB      LYS   8   7.644   8.688  30.376
   35    HB3  LYS   8           2HB      LYS   8   7.470   7.110  29.597
   36    HG2  LYS   8           1HG      LYS   8   7.479   5.934  31.679
   37    HG3  LYS   8           2HG      LYS   8   7.937   7.366  32.593
   38    HD2  LYS   8           1HD      LYS   8   5.307   7.143  31.075
   39    HD3  LYS   8           2HD      LYS   8   5.518   6.678  32.774
   40    HE2  LYS   8           1HE      LYS   8   6.337   8.969  33.306
   41    HE3  LYS   8           2HE      LYS   8   6.053   9.457  31.631
   42    HZ1  LYS   8           3HZ      LYS   8   3.957   8.513  33.517
   43    HZ2  LYS   8           1HZ      LYS   8   3.684   8.950  31.964
   44    HZ3  LYS   8           2HZ      LYS   8   4.182  10.060  33.050
   45    HA   PRO   9           HA       PRO   9  11.918   8.880  27.262
   46    HB2  PRO   9           1HB      PRO   9  14.093   7.157  26.995
   47    HB3  PRO   9           2HB      PRO   9  13.975   8.488  28.167
   48    HG2  PRO   9           1HG      PRO   9  13.426   5.597  28.693
   49    HG3  PRO   9           2HG      PRO   9  14.437   6.728  29.640
   50    HD2  PRO   9           1HD      PRO   9  11.864   6.238  30.338
   51    HD3  PRO   9           2HD      PRO   9  12.546   7.879  30.460
   52    H    TYR  10           H        TYR  10  11.093   5.448  27.490
   53    HA   TYR  10           HA       TYR  10  11.503   5.000  24.643
   54    HB2  TYR  10           1HB      TYR  10  10.258   3.237  26.763
   55    HB3  TYR  10           2HB      TYR  10  10.634   2.773  25.106
   56    HD1  TYR  10           1HD      TYR  10  12.114   3.777  28.366
   57    HD2  TYR  10           2HD      TYR  10  12.922   2.374  24.370
   58    HE1  TYR  10           1HE      TYR  10  14.408   3.166  29.058
   59    HE2  TYR  10           2HE      TYR  10  15.263   1.831  25.047
   60    HH   TYR  10           HH       TYR  10  16.443   2.312  28.397
   61    H    LYS  11           H        LYS  11  10.229   6.228  23.475
   62    HA   LYS  11           HA       LYS  11   7.282   6.443  23.879
   63    HB2  LYS  11           1HB      LYS  11   9.316   7.967  22.227
   64    HB3  LYS  11           2HB      LYS  11   7.627   7.972  21.754
   65    HG2  LYS  11           1HG      LYS  11   7.977   9.921  23.002
   66    HG3  LYS  11           2HG      LYS  11   6.959   8.851  23.961
   67    HD2  LYS  11           1HD      LYS  11   8.893   8.269  25.390
   68    HD3  LYS  11           2HD      LYS  11   9.959   9.257  24.358
   69    HE2  LYS  11           1HE      LYS  11   8.606  11.266  24.886
   70    HE3  LYS  11           2HE      LYS  11   7.549  10.287  25.918
   71    HZ1  LYS  11           3HZ      LYS  11   9.453   9.834  27.334
   72    HZ2  LYS  11           1HZ      LYS  11   9.209  11.447  27.230
   73    HZ3  LYS  11           2HZ      LYS  11  10.437  10.767  26.394
   74    H    CYS  12           H        CYS  12   5.741   5.883  22.378
   75    HA   CYS  12           HA       CYS  12   6.358   3.741  20.521
   76    HB2  CYS  12           1HB      CYS  12   4.412   3.718  21.927
   77    HB3  CYS  12           2HB      CYS  12   3.822   5.227  21.215
   78    HA   PRO  13           HA       PRO  13   6.717   6.660  17.040
   79    HB2  PRO  13           1HB      PRO  13   7.183   4.856  15.047
   80    HB3  PRO  13           2HB      PRO  13   8.398   5.253  16.300
   81    HG2  PRO  13           1HG      PRO  13   6.578   2.855  16.132
   82    HG3  PRO  13           2HG      PRO  13   8.298   2.921  16.604
   83    HD2  PRO  13           1HD      PRO  13   6.129   2.906  18.396
   84    HD3  PRO  13           2HD      PRO  13   7.765   3.509  18.784
   85    H    GLN  14           H        GLN  14   4.211   4.463  17.745
   86    HA   GLN  14           HA       GLN  14   2.659   5.095  15.271
   87    HB2  GLN  14           1HB      GLN  14   2.237   2.764  17.164
   88    HB3  GLN  14           2HB      GLN  14   1.535   3.026  15.567
   89    HG2  GLN  14           1HG      GLN  14   3.992   3.060  14.727
   90    HG3  GLN  14           2HG      GLN  14   4.410   2.387  16.300
   91   HE21  GLN  14          1HE2      GLN  14   4.062   0.176  16.694
   92   HE22  GLN  14          2HE2      GLN  14   3.475  -0.898  15.434
   93    H    CYS  15           H        CYS  15   2.550   5.342  18.793
   94    HA   CYS  15           HA       CYS  15   0.275   7.201  18.489
   95    HB2  CYS  15           1HB      CYS  15  -1.120   6.163  20.151
   96    HB3  CYS  15           2HB      CYS  15  -0.783   5.004  18.875
   97    H    SER  16           H        SER  16  -0.312   7.901  20.973
   98    HA   SER  16           HA       SER  16   1.938   9.518  21.766
   99    HB2  SER  16           1HB      SER  16  -0.755   9.170  23.131
  100    HB3  SER  16           2HB      SER  16   0.392  10.502  23.373
  101    HG   SER  16           HG       SER  16  -1.278  11.059  21.897
  102    H    TYR  17           H        TYR  17   1.500   6.342  22.544
  103    HA   TYR  17           HA       TYR  17   1.795   6.175  25.356
  104    HB2  TYR  17           1HB      TYR  17   1.099   4.331  23.961
  105    HB3  TYR  17           2HB      TYR  17   2.611   4.343  23.082
  106    HD1  TYR  17           1HD      TYR  17   0.971   3.565  26.335
  107    HD2  TYR  17           2HD      TYR  17   4.588   3.189  24.008
  108    HE1  TYR  17           1HE      TYR  17   1.793   1.786  27.879
  109    HE2  TYR  17           2HE      TYR  17   5.378   1.388  25.523
  110    HH   TYR  17           HH       TYR  17   4.786  -0.041  27.216
  111    H    ALA  18           H        ALA  18   3.492   5.847  26.725
  112    HA   ALA  18           HA       ALA  18   6.218   5.645  25.762
  113    HB1  ALA  18           1HB      ALA  18   7.108   7.478  27.110
  114    HB2  ALA  18           2HB      ALA  18   5.929   8.115  25.949
  115    HB3  ALA  18           3HB      ALA  18   5.478   7.918  27.658
  116    H    SER  19           H        SER  19   7.652   4.735  27.291
  117    HA   SER  19           HA       SER  19   6.690   4.184  30.034
  118    HB2  SER  19           1HB      SER  19   6.054   2.229  28.517
  119    HB3  SER  19           2HB      SER  19   7.791   1.919  28.346
  120    HG   SER  19           HG       SER  19   6.176   1.902  30.699
  121    H    ALA  20           H        ALA  20   8.420   3.214  31.400
  122    HA   ALA  20           HA       ALA  20  10.988   4.580  30.946
  123    HB1  ALA  20           1HB      ALA  20   9.900   3.136  33.383
  124    HB2  ALA  20           2HB      ALA  20  11.366   4.141  33.315
  125    HB3  ALA  20           3HB      ALA  20   9.777   4.885  33.066
  126    H    ILE  21           H        ILE  21   9.888   1.633  30.010
  127    HA   ILE  21           HA       ILE  21  12.537   0.269  30.300
  128    HB   ILE  21           HB       ILE  21   9.772  -0.917  30.719
  129   HG12  ILE  21          1HG1      ILE  21  12.014  -0.341  32.713
  130   HG13  ILE  21          2HG1      ILE  21  10.433   0.439  32.654
  131   HG21  ILE  21          1HG2      ILE  21  11.303  -2.534  29.671
  132   HG22  ILE  21          2HG2      ILE  21  12.492  -2.270  30.968
  133   HG23  ILE  21          3HG2      ILE  21  10.906  -3.013  31.294
  134   HD11  ILE  21          3HD1      ILE  21   9.362  -1.774  33.181
  135   HD12  ILE  21          1HD1      ILE  21  10.997  -2.419  33.480
  136   HD13  ILE  21          2HD1      ILE  21  10.378  -1.085  34.461
  137    H    LYS  22           H        LYS  22  13.302  -0.645  28.457
  138    HA   LYS  22           HA       LYS  22  12.084  -0.193  25.915
  139    HB2  LYS  22           1HB      LYS  22  14.516  -0.469  26.385
  140    HB3  LYS  22           2HB      LYS  22  14.261  -2.210  26.574
  141    HG2  LYS  22           1HG      LYS  22  13.558  -2.436  24.265
  142    HG3  LYS  22           2HG      LYS  22  13.374  -0.687  24.081
  143    HD2  LYS  22           1HD      LYS  22  15.361  -1.424  22.934
  144    HD3  LYS  22           2HD      LYS  22  15.784  -0.361  24.284
  145    HE2  LYS  22           1HE      LYS  22  16.376  -2.324  25.670
  146    HE3  LYS  22           2HE      LYS  22  15.904  -3.411  24.354
  147    HZ1  LYS  22           3HZ      LYS  22  18.305  -3.043  24.383
  148    HZ2  LYS  22           1HZ      LYS  22  18.119  -1.431  24.219
  149    HZ3  LYS  22           2HZ      LYS  22  17.686  -2.434  23.003
  150    H    ALA  23           H        ALA  23  12.127  -3.158  27.912
  151    HA   ALA  23           HA       ALA  23  10.713  -4.855  26.138
  152    HB1  ALA  23           1HB      ALA  23  10.237  -6.187  28.135
  153    HB2  ALA  23           2HB      ALA  23  11.913  -5.609  28.164
  154    HB3  ALA  23           3HB      ALA  23  10.680  -4.830  29.187
  155    H    ASN  24           H        ASN  24   9.423  -2.394  28.402
  156    HA   ASN  24           HA       ASN  24   6.639  -3.114  27.956
  157    HB2  ASN  24           1HB      ASN  24   7.990  -0.591  29.035
  158    HB3  ASN  24           2HB      ASN  24   6.257  -0.806  28.957
  159   HD21  ASN  24          1HD2      ASN  24   7.061  -0.170  31.283
  160   HD22  ASN  24          2HD2      ASN  24   7.057  -1.552  32.386
  161    H    LEU  25           H        LEU  25   8.928  -1.075  26.180
  162    HA   LEU  25           HA       LEU  25   6.814  -0.038  24.430
  163    HB2  LEU  25           1HB      LEU  25   8.808   1.287  24.758
  164    HB3  LEU  25           2HB      LEU  25   9.836  -0.021  24.164
  165    HG   LEU  25           HG       LEU  25   8.807   0.151  21.925
  166   HD11  LEU  25          1HD1      LEU  25   7.377   2.065  21.352
  167   HD12  LEU  25          2HD1      LEU  25   7.262   2.524  23.066
  168   HD13  LEU  25          3HD1      LEU  25   6.552   1.003  22.482
  169   HD21  LEU  25          3HD2      LEU  25  10.814   1.489  22.502
  170   HD22  LEU  25          1HD2      LEU  25   9.753   2.851  22.943
  171   HD23  LEU  25          2HD2      LEU  25   9.800   2.264  21.272
  172    H    ASN  26           H        ASN  26   9.296  -2.658  24.159
  173    HA   ASN  26           HA       ASN  26   8.600  -3.644  21.618
  174    HB2  ASN  26           1HB      ASN  26   9.245  -5.295  24.111
  175    HB3  ASN  26           2HB      ASN  26   9.328  -5.875  22.460
  176   HD21  ASN  26          1HD2      ASN  26  11.332  -6.080  24.287
  177   HD22  ASN  26          2HD2      ASN  26  12.718  -5.159  23.683
  178    H    VAL  27           H        VAL  27   7.120  -4.536  24.766
  179    HA   VAL  27           HA       VAL  27   5.277  -6.387  23.675
  180    HB   VAL  27           HB       VAL  27   6.111  -5.898  26.128
  181   HG11  VAL  27          1HG1      VAL  27   4.502  -5.054  27.647
  182   HG12  VAL  27          2HG1      VAL  27   4.927  -3.794  26.489
  183   HG13  VAL  27          3HG1      VAL  27   3.371  -4.651  26.338
  184   HG21  VAL  27          3HG2      VAL  27   4.301  -7.390  26.901
  185   HG22  VAL  27          1HG2      VAL  27   3.417  -7.047  25.384
  186   HG23  VAL  27          2HG2      VAL  27   4.995  -7.890  25.345
  187    H    HIS  28           H        HIS  28   5.021  -2.978  24.261
  188    HA   HIS  28           HA       HIS  28   2.246  -2.675  23.770
  189    HB2  HIS  28           1HB      HIS  28   3.535  -1.066  24.999
  190    HB3  HIS  28           2HB      HIS  28   4.605  -0.766  23.637
  191    HD1  HIS  28           1HD      HIS  28   1.023   0.115  24.696
  192    HD2  HIS  28           2HD      HIS  28   3.836   0.777  21.642
  193    HE1  HIS  28           1HE      HIS  28  -0.008   1.864  23.174
  194    H    LEU  29           H        LEU  29   5.044  -2.548  21.564
  195    HA   LEU  29           HA       LEU  29   3.633  -1.599  19.255
  196    HB2  LEU  29           1HB      LEU  29   6.134  -3.293  19.500
  197    HB3  LEU  29           2HB      LEU  29   5.593  -2.558  17.999
  198    HG   LEU  29           HG       LEU  29   6.222  -0.888  20.451
  199   HD11  LEU  29          1HD1      LEU  29   8.051  -1.615  18.129
  200   HD12  LEU  29          2HD1      LEU  29   8.235  -2.169  19.810
  201   HD13  LEU  29          3HD1      LEU  29   8.417  -0.452  19.425
  202   HD21  LEU  29          3HD2      LEU  29   4.903   0.285  18.770
  203   HD22  LEU  29          1HD2      LEU  29   6.073  -0.199  17.497
  204   HD23  LEU  29          2HD2      LEU  29   6.564   0.881  18.811
  205    H    ARG  30           H        ARG  30   3.768  -4.782  20.670
  206    HA   ARG  30           HA       ARG  30   2.895  -6.369  18.461
  207    HB2  ARG  30           1HB      ARG  30   2.179  -6.698  21.409
  208    HB3  ARG  30           2HB      ARG  30   1.994  -7.922  20.167
  209    HG2  ARG  30           1HG      ARG  30   4.455  -7.967  19.803
  210    HG3  ARG  30           2HG      ARG  30   4.656  -6.718  21.037
  211    HD2  ARG  30           1HD      ARG  30   5.152  -8.820  22.060
  212    HD3  ARG  30           2HD      ARG  30   3.622  -8.222  22.727
  213    HE   ARG  30           HE       ARG  30   3.186  -9.979  20.460
  214   HH11  ARG  30          2HH1      ARG  30   3.980 -10.159  23.870
  215   HH12  ARG  30          1HH1      ARG  30   3.307 -11.758  24.031
  216   HH21  ARG  30          2HH2      ARG  30   2.341 -12.012  20.741
  217   HH22  ARG  30          1HH2      ARG  30   2.413 -12.774  22.302
  218    H    LYS  31           H        LYS  31   1.047  -4.277  20.629
  219    HA   LYS  31           HA       LYS  31  -1.595  -5.172  19.895
  220    HB2  LYS  31           1HB      LYS  31  -0.821  -2.417  20.943
  221    HB3  LYS  31           2HB      LYS  31  -2.385  -3.236  21.093
  222    HG2  LYS  31           1HG      LYS  31  -1.238  -5.008  22.488
  223    HG3  LYS  31           2HG      LYS  31   0.243  -4.035  22.399
  224    HD2  LYS  31           1HD      LYS  31  -1.175  -2.089  23.370
  225    HD3  LYS  31           2HD      LYS  31  -2.374  -3.351  23.772
  226    HE2  LYS  31           1HE      LYS  31  -0.448  -4.655  24.814
  227    HE3  LYS  31           2HE      LYS  31   0.570  -3.243  24.522
  228    HZ1  LYS  31           3HZ      LYS  31  -0.324  -3.237  26.808
  229    HZ2  LYS  31           1HZ      LYS  31  -1.857  -3.296  26.263
  230    HZ3  LYS  31           2HZ      LYS  31  -0.954  -1.964  25.999
  231    H    HIS  32           H        HIS  32   0.567  -2.843  18.510
  232    HA   HIS  32           HA       HIS  32  -1.354  -1.711  16.630
  233    HB2  HIS  32           1HB      HIS  32   1.676  -1.540  16.765
  234    HB3  HIS  32           2HB      HIS  32   0.682  -0.678  15.599
  235    HD1  HIS  32           1HD      HIS  32  -1.399   0.857  16.958
  236    HD2  HIS  32           2HD      HIS  32   2.281  -0.014  18.798
  237    HE1  HIS  32           1HE      HIS  32  -1.117   2.591  18.782
  238    H    THR  33           H        THR  33   0.029  -4.803  16.579
  239    HA   THR  33           HA       THR  33   0.107  -5.046  13.638
  240    HB   THR  33           HB       THR  33   0.488  -7.370  13.917
  241    HG1  THR  33           1HG      THR  33   0.191  -7.030  16.715
  242   HG21  THR  33          3HG2      THR  33   2.439  -5.916  14.242
  243   HG22  THR  33          1HG2      THR  33   2.559  -7.415  15.181
  244   HG23  THR  33          2HG2      THR  33   2.148  -5.889  15.994
  245    H    GLY  34           H        GLY  34  -1.282  -6.791  12.566
  246    HA2  GLY  34           1HA      GLY  34  -3.313  -7.862  12.219
  247    HA3  GLY  34           2HA      GLY  34  -3.961  -7.186  13.709
  248    H    GLU  35           H        GLU  35  -2.665  -4.606  12.091
  249    HA   GLU  35           HA       GLU  35  -5.201  -3.720  10.839
  250    HB2  GLU  35           1HB      GLU  35  -3.934  -2.183  12.281
  251    HB3  GLU  35           2HB      GLU  35  -2.507  -2.350  11.257
  252    HG2  GLU  35           1HG      GLU  35  -3.607  -1.237   9.410
  253    HG3  GLU  35           2HG      GLU  35  -5.165  -1.293  10.236
  254    H    LYS  36           H        LYS  36  -5.434  -3.171   8.679
  255    HA   LYS  36           HA       LYS  36  -3.885  -4.811   6.791
  256    HB2  LYS  36           1HB      LYS  36  -6.315  -3.030   6.590
  257    HB3  LYS  36           2HB      LYS  36  -5.464  -3.576   5.146
  258    HG2  LYS  36           1HG      LYS  36  -6.045  -5.760   7.100
  259    HG3  LYS  36           2HG      LYS  36  -7.473  -4.979   6.438
  260    HD2  LYS  36           1HD      LYS  36  -6.638  -5.348   4.130
  261    HD3  LYS  36           2HD      LYS  36  -5.152  -6.076   4.774
  262    HE2  LYS  36           1HE      LYS  36  -6.347  -7.966   5.648
  263    HE3  LYS  36           2HE      LYS  36  -7.916  -7.216   5.321
  264    HZ1  LYS  36           3HZ      LYS  36  -7.205  -8.878   3.611
  265    HZ2  LYS  36           1HZ      LYS  36  -5.982  -7.879   3.151
  266    HZ3  LYS  36           2HZ      LYS  36  -7.526  -7.409   2.979
  267    H    PHE  37           H        PHE  37  -1.987  -4.255   6.364
  268    HA   PHE  37           HA       PHE  37  -1.349  -1.492   5.428
  269    HB2  PHE  37           1HB      PHE  37   0.583  -3.797   5.771
  270    HB3  PHE  37           2HB      PHE  37   0.926  -2.070   5.618
  271    HD1  PHE  37           2HD      PHE  37   0.394  -0.511   7.527
  272    HD2  PHE  37           1HD      PHE  37   0.074  -4.792   7.869
  273    HE1  PHE  37           2HE      PHE  37   0.359  -0.313   9.996
  274    HE2  PHE  37           1HE      PHE  37   0.054  -4.602  10.329
  275    HZ   PHE  37           HZ       PHE  37   0.123  -2.354  11.415
  276    H    ALA  38           H        ALA  38  -1.573  -1.117   3.331
  277    HA   ALA  38           HA       ALA  38  -1.599  -3.302   1.342
  278    HB1  ALA  38           1HB      ALA  38  -3.400  -1.591   1.336
  279    HB2  ALA  38           2HB      ALA  38  -2.179  -0.333   1.025
  280    HB3  ALA  38           3HB      ALA  38  -2.473  -1.605  -0.179
  281    H    CYS  39           H        CYS  39  -0.248  -3.479  -0.470
  282    HA   CYS  39           HA       CYS  39   2.428  -2.416  -0.273
  283    HB2  CYS  39           1HB      CYS  39   1.884  -4.594  -1.110
  284    HB3  CYS  39           2HB      CYS  39   0.863  -3.929  -2.379
  285    H    ASP  40           H        ASP  40   3.427  -0.888  -1.423
  286    HA   ASP  40           HA       ASP  40   1.783   1.297  -2.528
  287    HB2  ASP  40           1HB      ASP  40   3.705   1.647  -0.932
  288    HB3  ASP  40           2HB      ASP  40   4.799   1.119  -2.208
  289    H    TYR  41           H        TYR  41   3.022  -1.541  -3.767
  290    HA   TYR  41           HA       TYR  41   3.607  -0.395  -6.485
  291    HB2  TYR  41           1HB      TYR  41   4.785  -2.821  -5.095
  292    HB3  TYR  41           2HB      TYR  41   5.125  -2.304  -6.729
  293    HD1  TYR  41           2HD      TYR  41   5.514  -1.579  -3.143
  294    HD2  TYR  41           1HD      TYR  41   6.657  -0.413  -7.128
  295    HE1  TYR  41           2HE      TYR  41   7.353  -0.165  -2.200
  296    HE2  TYR  41           1HE      TYR  41   8.508   0.977  -6.191
  297    HH   TYR  41           HH       TYR  41   9.104   1.245  -2.673
  298    H    CYS  42           H        CYS  42   1.830  -2.870  -4.727
  299    HA   CYS  42           HA       CYS  42   0.234  -3.325  -7.172
  300    HB2  CYS  42           1HB      CYS  42   0.180  -5.740  -6.948
  301    HB3  CYS  42           2HB      CYS  42   1.829  -5.169  -7.229
  302    H    SER  43           H        SER  43  -1.663  -4.928  -6.532
  303    HA   SER  43           HA       SER  43  -3.287  -3.576  -4.562
  304    HB2  SER  43           1HB      SER  43  -3.852  -6.133  -6.103
  305    HB3  SER  43           2HB      SER  43  -5.040  -5.116  -5.266
  306    HG   SER  43           HG       SER  43  -4.960  -4.676  -7.520
  307    H    PHE  44           H        PHE  44  -0.855  -5.658  -3.844
  308    HA   PHE  44           HA       PHE  44  -2.019  -7.640  -2.205
  309    HB2  PHE  44           1HB      PHE  44   0.233  -7.751  -2.944
  310    HB3  PHE  44           2HB      PHE  44   0.682  -6.288  -2.093
  311    HD1  PHE  44           2HD      PHE  44  -0.421  -9.832  -1.603
  312    HD2  PHE  44           1HD      PHE  44   1.492  -6.394   0.154
  313    HE1  PHE  44           2HE      PHE  44   0.318 -11.220   0.325
  314    HE2  PHE  44           1HE      PHE  44   2.263  -7.799   2.066
  315    HZ   PHE  44           HZ       PHE  44   1.659 -10.198   2.155
  316    H    THR  45           H        THR  45  -2.312  -7.801  -0.013
  317    HA   THR  45           HA       THR  45  -1.877  -5.514   1.750
  318    HB   THR  45           HB       THR  45  -3.996  -5.734   2.881
  319    HG1  THR  45           1HG      THR  45  -4.841  -7.302   0.687
  320   HG21  THR  45          3HG2      THR  45  -4.319  -5.048  -0.050
  321   HG22  THR  45          1HG2      THR  45  -3.754  -3.992   1.265
  322   HG23  THR  45          2HG2      THR  45  -5.428  -4.580   1.270
  323    H    CYS  46           H        CYS  46  -1.793  -5.995   3.921
  324    HA   CYS  46           HA       CYS  46  -1.548  -8.860   4.715
  325    HB2  CYS  46           1HB      CYS  46   0.624  -8.011   3.700
  326    HB3  CYS  46           2HB      CYS  46   0.713  -6.837   5.024
  327    HG   CYS  46           HG       CYS  46   2.229  -8.493   5.955
  328    H    LEU  47           H        LEU  47  -1.526  -9.227   6.951
  329    HA   LEU  47           HA       LEU  47  -2.613  -7.089   8.681
  330    HB2  LEU  47           1HB      LEU  47  -2.148 -10.038   9.229
  331    HB3  LEU  47           2HB      LEU  47  -2.998  -8.906  10.273
  332    HG   LEU  47           HG       LEU  47  -3.904  -9.856   7.526
  333   HD11  LEU  47          1HD1      LEU  47  -5.079 -10.259  10.305
  334   HD12  LEU  47          2HD1      LEU  47  -4.182 -11.476   9.368
  335   HD13  LEU  47          3HD1      LEU  47  -5.742 -10.881   8.777
  336   HD21  LEU  47          3HD2      LEU  47  -5.239  -7.872   9.415
  337   HD22  LEU  47          1HD2      LEU  47  -6.006  -8.606   7.992
  338   HD23  LEU  47          2HD2      LEU  47  -4.620  -7.528   7.785
  339    H    SER  48           H        SER  48   0.439  -7.974   7.805
  340    HA   SER  48           HA       SER  48   1.648  -6.848  10.289
  341    HB2  SER  48           1HB      SER  48   2.051  -9.214  10.455
  342    HB3  SER  48           2HB      SER  48   2.589  -9.300   8.766
  343    HG   SER  48           HG       SER  48   4.283  -9.148  10.451
  344    H    LYS  49           H        LYS  49   2.685  -5.145   9.914
  345    HA   LYS  49           HA       LYS  49   3.479  -4.051   7.416
  346    HB2  LYS  49           1HB      LYS  49   4.821  -2.535   8.814
  347    HB3  LYS  49           2HB      LYS  49   3.119  -2.642   9.295
  348    HG2  LYS  49           1HG      LYS  49   3.936  -4.259  11.151
  349    HG3  LYS  49           2HG      LYS  49   5.571  -3.751  10.717
  350    HD2  LYS  49           1HD      LYS  49   3.300  -2.015  11.769
  351    HD3  LYS  49           2HD      LYS  49   4.779  -2.479  12.620
  352    HE2  LYS  49           1HE      LYS  49   6.102  -1.219  10.860
  353    HE3  LYS  49           2HE      LYS  49   4.568  -0.666  10.176
  354    HZ1  LYS  49           3HZ      LYS  49   5.399   0.993  11.682
  355    HZ2  LYS  49           1HZ      LYS  49   5.575  -0.076  12.902
  356    HZ3  LYS  49           2HZ      LYS  49   4.077   0.338  12.397
  357    H    GLY  50           H        GLY  50   5.178  -6.195   9.630
  358    HA2  GLY  50           1HA      GLY  50   7.816  -5.858   8.451
  359    HA3  GLY  50           2HA      GLY  50   7.277  -7.065   9.616
  360    H    HIS  51           H        HIS  51   5.139  -8.237   8.023
  361    HA   HIS  51           HA       HIS  51   6.605  -9.802   6.045
  362    HB2  HIS  51           1HB      HIS  51   4.714 -10.710   7.370
  363    HB3  HIS  51           2HB      HIS  51   3.631  -9.579   6.554
  364    HD1  HIS  51           1HD      HIS  51   2.267 -10.948   4.825
  365    HD2  HIS  51           2HD      HIS  51   6.306 -12.088   5.117
  366    HE1  HIS  51           1HE      HIS  51   2.627 -12.765   3.066
  367    H    LEU  52           H        LEU  52   4.359  -6.997   5.873
  368    HA   LEU  52           HA       LEU  52   4.283  -6.817   3.030
  369    HB2  LEU  52           1HB      LEU  52   2.744  -5.581   4.461
  370    HB3  LEU  52           2HB      LEU  52   4.079  -4.690   5.190
  371    HG   LEU  52           HG       LEU  52   4.580  -3.609   3.007
  372   HD11  LEU  52          1HD1      LEU  52   3.691  -5.350   1.466
  373   HD12  LEU  52          2HD1      LEU  52   2.960  -3.784   1.177
  374   HD13  LEU  52          3HD1      LEU  52   2.042  -5.021   2.061
  375   HD21  LEU  52          3HD2      LEU  52   1.670  -3.328   3.765
  376   HD22  LEU  52          1HD2      LEU  52   2.711  -2.107   3.008
  377   HD23  LEU  52          2HD2      LEU  52   3.014  -2.605   4.684
  378    H    LYS  53           H        LYS  53   6.694  -5.480   5.365
  379    HA   LYS  53           HA       LYS  53   8.389  -4.245   3.424
  380    HB2  LYS  53           1HB      LYS  53   8.759  -3.783   5.709
  381    HB3  LYS  53           2HB      LYS  53   8.897  -5.482   6.150
  382    HG2  LYS  53           1HG      LYS  53  11.004  -5.722   5.000
  383    HG3  LYS  53           2HG      LYS  53  10.905  -4.091   4.331
  384    HD2  LYS  53           1HD      LYS  53  11.005  -4.742   7.313
  385    HD3  LYS  53           2HD      LYS  53  12.437  -4.387   6.326
  386    HE2  LYS  53           1HE      LYS  53  11.473  -2.158   5.749
  387    HE3  LYS  53           2HE      LYS  53  10.091  -2.490   6.799
  388    HZ1  LYS  53           3HZ      LYS  53  11.645  -2.648   8.676
  389    HZ2  LYS  53           1HZ      LYS  53  11.782  -1.192   7.954
  390    HZ3  LYS  53           2HZ      LYS  53  12.919  -2.333   7.702
  391    H    VAL  54           H        VAL  54   8.499  -7.654   4.633
  392    HA   VAL  54           HA       VAL  54  10.569  -8.481   2.868
  393    HB   VAL  54           HB       VAL  54   8.296 -10.107   4.071
  394   HG11  VAL  54          1HG1      VAL  54   9.798 -12.089   3.613
  395   HG12  VAL  54          2HG1      VAL  54   9.072 -11.392   2.169
  396   HG13  VAL  54          3HG1      VAL  54  10.773 -11.045   2.548
  397   HG21  VAL  54          3HG2      VAL  54   9.904  -9.090   5.673
  398   HG22  VAL  54          1HG2      VAL  54  10.040 -10.851   5.625
  399   HG23  VAL  54          2HG2      VAL  54  11.246  -9.844   4.788
  400    H    HIS  55           H        HIS  55   7.031  -8.417   2.287
  401    HA   HIS  55           HA       HIS  55   7.028  -9.556  -0.284
  402    HB2  HIS  55           1HB      HIS  55   4.952  -9.157   0.857
  403    HB3  HIS  55           2HB      HIS  55   5.266  -7.433   0.994
  404    HD1  HIS  55           1HD      HIS  55   4.178  -9.984  -1.657
  405    HD2  HIS  55           2HD      HIS  55   4.567  -5.846  -1.005
  406    HE1  HIS  55           1HE      HIS  55   3.062  -8.857  -3.637
  407    H    ILE  56           H        ILE  56   7.518  -6.066   0.552
  408    HA   ILE  56           HA       ILE  56   7.958  -5.328  -2.228
  409    HB   ILE  56           HB       ILE  56   8.584  -3.883   0.359
  410   HG12  ILE  56          1HG1      ILE  56   6.298  -3.410  -1.605
  411   HG13  ILE  56          2HG1      ILE  56   6.133  -4.394  -0.159
  412   HG21  ILE  56          1HG2      ILE  56  10.007  -3.058  -1.515
  413   HG22  ILE  56          2HG2      ILE  56   8.557  -2.840  -2.518
  414   HG23  ILE  56          3HG2      ILE  56   8.812  -1.852  -1.062
  415   HD11  ILE  56          3HD1      ILE  56   5.251  -2.223   0.303
  416   HD12  ILE  56          1HD1      ILE  56   6.718  -2.471   1.269
  417   HD13  ILE  56          2HD1      ILE  56   6.760  -1.430  -0.177
  418    H    GLU  57           H        GLU  57  10.153  -6.148   0.440
  419    HA   GLU  57           HA       GLU  57  12.629  -5.619  -0.917
  420    HB2  GLU  57           1HB      GLU  57  11.843  -7.470   1.347
  421    HB3  GLU  57           2HB      GLU  57  13.505  -7.213   0.902
  422    HG2  GLU  57           1HG      GLU  57  11.865  -4.761   1.526
  423    HG3  GLU  57           2HG      GLU  57  12.283  -5.860   2.836
  424    H    ARG  58           H        ARG  58  10.427  -8.196  -1.356
  425    HA   ARG  58           HA       ARG  58  12.515  -9.697  -2.906
  426    HB2  ARG  58           1HB      ARG  58  11.558 -11.735  -2.357
  427    HB3  ARG  58           2HB      ARG  58  11.396 -10.790  -0.896
  428    HG2  ARG  58           1HG      ARG  58   9.001 -10.292  -1.580
  429    HG3  ARG  58           2HG      ARG  58   9.206 -11.482  -2.874
  430    HD2  ARG  58           1HD      ARG  58   9.585 -12.028   0.094
  431    HD3  ARG  58           2HD      ARG  58   8.107 -12.375  -0.789
  432    HE   ARG  58           HE       ARG  58  10.635 -13.871  -0.859
  433   HH11  ARG  58          2HH1      ARG  58   7.589 -13.450  -2.552
  434   HH12  ARG  58          1HH1      ARG  58   7.737 -14.982  -3.365
  435   HH21  ARG  58          2HH2      ARG  58  10.748 -15.802  -1.932
  436   HH22  ARG  58          1HH2      ARG  58   9.475 -16.274  -3.018
  437    H    VAL  59           H        VAL  59   9.132  -8.570  -3.161
  438    HA   VAL  59           HA       VAL  59   9.000  -9.656  -5.858
  439    HB   VAL  59           HB       VAL  59   6.894  -8.019  -4.395
  440   HG11  VAL  59          1HG1      VAL  59   6.695  -9.794  -6.863
  441   HG12  VAL  59          2HG1      VAL  59   5.329  -9.027  -6.021
  442   HG13  VAL  59          3HG1      VAL  59   6.530  -8.023  -6.831
  443   HG21  VAL  59          3HG2      VAL  59   5.773 -10.247  -4.078
  444   HG22  VAL  59          1HG2      VAL  59   7.250 -11.040  -4.672
  445   HG23  VAL  59          2HG2      VAL  59   7.264 -10.090  -3.165
  446    H    HIS  60           H        HIS  60   8.949  -6.402  -4.374
  447    HA   HIS  60           HA       HIS  60   9.204  -5.118  -7.033
  448    HB2  HIS  60           1HB      HIS  60   8.409  -3.873  -4.419
  449    HB3  HIS  60           2HB      HIS  60   8.261  -3.173  -6.031
  450    HD1  HIS  60           1HD      HIS  60   6.485  -4.765  -7.701
  451    HD2  HIS  60           2HD      HIS  60   6.306  -5.038  -3.513
  452    HE1  HIS  60           1HE      HIS  60   4.203  -5.755  -7.168
  453    H    LYS  61           H        LYS  61  11.386  -6.330  -5.327
  454    HA   LYS  61           HA       LYS  61  13.191  -4.300  -4.461
  455    HB2  LYS  61           1HB      LYS  61  13.278  -6.567  -3.685
  456    HB3  LYS  61           2HB      LYS  61  13.513  -7.206  -5.300
  457    HG2  LYS  61           1HG      LYS  61  15.577  -7.304  -4.001
  458    HG3  LYS  61           2HG      LYS  61  15.748  -6.316  -5.439
  459    HD2  LYS  61           1HD      LYS  61  16.938  -5.321  -3.542
  460    HD3  LYS  61           2HD      LYS  61  15.671  -4.263  -4.127
  461    HE2  LYS  61           1HE      LYS  61  15.531  -4.144  -1.784
  462    HE3  LYS  61           2HE      LYS  61  14.164  -5.154  -2.283
  463    HZ1  LYS  61           3HZ      LYS  61  15.482  -5.939  -0.350
  464    HZ2  LYS  61           1HZ      LYS  61  16.734  -6.300  -1.345
  465    HZ3  LYS  61           2HZ      LYS  61  15.278  -7.073  -1.524
  466    H    LYS  62           H        LYS  62  14.388  -2.948  -5.509
  467    HA   LYS  62           HA       LYS  62  15.272  -1.672  -7.128
  468    HB2  LYS  62           1HB      LYS  62  16.906  -3.648  -6.756
  469    HB3  LYS  62           2HB      LYS  62  16.410  -4.206  -8.356
  470    HG2  LYS  62           1HG      LYS  62  17.128  -1.969  -9.288
  471    HG3  LYS  62           2HG      LYS  62  17.665  -1.500  -7.673
  472    HD2  LYS  62           1HD      LYS  62  18.748  -3.854  -9.285
  473    HD3  LYS  62           2HD      LYS  62  19.505  -2.259  -9.164
  474    HE2  LYS  62           1HE      LYS  62  19.714  -2.550  -6.695
  475    HE3  LYS  62           2HE      LYS  62  19.015  -4.169  -6.834
  476    HZ1  LYS  62           3HZ      LYS  62  21.438  -4.258  -6.802
  477    HZ2  LYS  62           1HZ      LYS  62  21.552  -3.296  -8.112
  478    HZ3  LYS  62           2HZ      LYS  62  20.904  -4.791  -8.247
  479    H    ILE  63           H        ILE  63  12.749  -1.990  -7.575
  480    HA   ILE  63           HA       ILE  63  12.155  -2.506 -10.388
  481    HB   ILE  63           HB       ILE  63  10.512  -2.859  -8.573
  482   HG12  ILE  63          1HG1      ILE  63   9.559  -0.922 -10.718
  483   HG13  ILE  63          2HG1      ILE  63   9.915  -2.633 -10.984
  484   HG21  ILE  63          1HG2      ILE  63   9.312  -1.039  -7.554
  485   HG22  ILE  63          2HG2      ILE  63  11.025  -0.743  -7.283
  486   HG23  ILE  63          3HG2      ILE  63  10.162   0.172  -8.538
  487   HD11  ILE  63          3HD1      ILE  63   8.166  -3.235  -9.294
  488   HD12  ILE  63          1HD1      ILE  63   7.735  -1.511  -9.175
  489   HD13  ILE  63          2HD1      ILE  63   7.533  -2.370 -10.709
  490    H    LYS  64           H        LYS  64  11.771  -0.991 -12.030
  491    HA   LYS  64           HA       LYS  64  13.464   1.406 -11.726
  492    HB2  LYS  64           1HB      LYS  64  12.244   0.279 -14.263
  493    HB3  LYS  64           2HB      LYS  64  13.519   1.488 -14.124
  494    HG2  LYS  64           1HG      LYS  64  13.677  -1.466 -13.419
  495    HG3  LYS  64           2HG      LYS  64  14.503  -0.626 -14.730
  496    HD2  LYS  64           1HD      LYS  64  15.806   0.690 -13.040
  497    HD3  LYS  64           2HD      LYS  64  15.048  -0.247 -11.745
  498    HE2  LYS  64           1HE      LYS  64  16.771  -1.404 -13.975
  499    HE3  LYS  64           2HE      LYS  64  17.322  -1.031 -12.339
  500    HZ1  LYS  64           3HZ      LYS  64  16.760  -3.355 -12.471
  501    HZ2  LYS  64           1HZ      LYS  64  15.265  -3.055 -13.048
  502    HZ3  LYS  64           2HZ      LYS  64  15.639  -2.644 -11.506
  503    H    GLN  65           H        GLN  65  12.643   3.150 -11.018
  504    HA   GLN  65           HA       GLN  65   9.916   4.112 -11.684
  505    HB2  GLN  65           1HB      GLN  65  12.174   5.372 -10.067
  506    HB3  GLN  65           2HB      GLN  65  10.541   6.014 -10.223
  507    HG2  GLN  65           1HG      GLN  65  11.221   3.344  -8.909
  508    HG3  GLN  65           2HG      GLN  65  10.990   4.866  -8.071
  509   HE21  GLN  65          1HE2      GLN  65   9.384   3.106  -7.056
  510   HE22  GLN  65          2HE2      GLN  65   7.752   3.247  -7.696
  511    H    HIS  66           H        HIS  66   9.774   6.429 -12.561
  512    HA   HIS  66           HA       HIS  66  12.149   7.269 -14.099
  513    HB2  HIS  66           1HB      HIS  66  10.948   7.708 -16.123
  514    HB3  HIS  66           2HB      HIS  66  10.799   6.009 -15.705
  515    HD1  HIS  66           1HD      HIS  66   8.296   5.150 -15.092
  516    HD2  HIS  66           2HD      HIS  66   8.706   9.227 -16.055
  517    HE1  HIS  66           1HE      HIS  66   5.934   6.041 -15.443
  518    H    CYS  67           H        CYS  67  12.412   9.397 -14.464
  519    HA   CYS  67           HA       CYS  67  11.200  11.281 -12.662
  520    HB2  CYS  67           1HB      CYS  67  13.551  11.272 -13.392
  521    HB3  CYS  67           2HB      CYS  67  13.039  11.590 -15.058
  522    H    ARG  68           H        ARG  68   9.644  12.726 -12.911
  523    HA   ARG  68           HA       ARG  68   7.937  12.608 -15.304
  524    HB2  ARG  68           1HB      ARG  68   6.272  13.716 -14.060
  525    HB3  ARG  68           2HB      ARG  68   7.014  12.522 -13.022
  526    HG2  ARG  68           1HG      ARG  68   6.867  14.248 -11.540
  527    HG3  ARG  68           2HG      ARG  68   8.487  14.538 -12.151
  528    HD2  ARG  68           1HD      ARG  68   7.325  16.625 -11.987
  529    HD3  ARG  68           2HD      ARG  68   7.531  16.308 -13.692
  530    HE   ARG  68           HE       ARG  68   5.019  16.139 -12.079
  531   HH11  ARG  68          2HH1      ARG  68   6.337  16.009 -15.355
  532   HH12  ARG  68          1HH1      ARG  68   4.788  16.407 -16.049
  533   HH21  ARG  68          2HH2      ARG  68   3.103  16.557 -13.069
  534   HH22  ARG  68          1HH2      ARG  68   3.016  16.657 -14.802
  535    H    PHE  69           H        PHE  69  10.658  14.357 -14.684
  536    HA   PHE  69           HA       PHE  69   9.755  16.703 -16.324
  537    HB2  PHE  69           1HB      PHE  69  12.219  16.392 -14.608
  538    HB3  PHE  69           2HB      PHE  69  11.731  17.837 -15.466
  539    HD1  PHE  69           2HD      PHE  69   9.836  19.217 -14.646
  540    HD2  PHE  69           1HD      PHE  69  11.191  15.733 -12.494
  541    HE1  PHE  69           2HE      PHE  69   8.690  20.030 -12.598
  542    HE2  PHE  69           1HE      PHE  69  10.050  16.553 -10.448
  543    HZ   PHE  69           HZ       PHE  69   8.814  18.711 -10.491
  544    H    CYS  70           H        CYS  70  12.553  14.455 -16.014
  545    HA   CYS  70           HA       CYS  70  13.304  15.072 -18.830
  546    HB2  CYS  70           1HB      CYS  70  15.573  14.726 -18.276
  547    HB3  CYS  70           2HB      CYS  70  14.860  15.942 -17.222
  548    H    LYS  71           H        LYS  71  11.810  12.649 -17.231
  549    HA   LYS  71           HA       LYS  71  11.344  10.472 -17.613
  550    HB2  LYS  71           1HB      LYS  71  12.105  11.206 -20.458
  551    HB3  LYS  71           2HB      LYS  71  11.364   9.694 -19.983
  552    HG2  LYS  71           1HG      LYS  71   9.614  11.006 -20.776
  553    HG3  LYS  71           2HG      LYS  71   9.413  10.887 -19.037
  554    HD2  LYS  71           1HD      LYS  71   8.813  13.095 -19.905
  555    HD3  LYS  71           2HD      LYS  71  10.138  13.222 -18.759
  556    HE2  LYS  71           1HE      LYS  71  11.757  13.384 -20.651
  557    HE3  LYS  71           2HE      LYS  71  10.432  13.184 -21.802
  558    HZ1  LYS  71           3HZ      LYS  71  10.711  15.469 -19.907
  559    HZ2  LYS  71           1HZ      LYS  71   9.483  15.273 -20.973
  560    HZ3  LYS  71           2HZ      LYS  71  10.999  15.526 -21.515
  561    H    LYS  72           H        LYS  72  14.252  11.200 -16.964
  562    HA   LYS  72           HA       LYS  72  15.857   8.941 -17.724
  563    HB2  LYS  72           1HB      LYS  72  16.642  11.161 -16.721
  564    HB3  LYS  72           2HB      LYS  72  16.004  10.621 -15.184
  565    HG2  LYS  72           1HG      LYS  72  17.528   8.710 -15.142
  566    HG3  LYS  72           2HG      LYS  72  18.090   9.059 -16.786
  567    HD2  LYS  72           1HD      LYS  72  19.174  11.104 -16.062
  568    HD3  LYS  72           2HD      LYS  72  18.433  10.991 -14.459
  569    HE2  LYS  72           1HE      LYS  72  19.610   8.733 -14.188
  570    HE3  LYS  72           2HE      LYS  72  20.480   9.084 -15.685
  571    HZ1  LYS  72           3HZ      LYS  72  21.797   9.750 -13.790
  572    HZ2  LYS  72           1HZ      LYS  72  20.598  10.659 -13.166
  573    HZ3  LYS  72           2HZ      LYS  72  21.344  11.115 -14.560
  574    H    LYS  73           H        LYS  73  16.074   6.920 -16.807
  575    HA   LYS  73           HA       LYS  73  14.013   6.064 -14.861
  576    HB2  LYS  73           1HB      LYS  73  15.899   4.521 -16.657
  577    HB3  LYS  73           2HB      LYS  73  14.987   3.750 -15.348
  578    HG2  LYS  73           1HG      LYS  73  12.863   4.563 -16.275
  579    HG3  LYS  73           2HG      LYS  73  13.725   5.368 -17.598
  580    HD2  LYS  73           1HD      LYS  73  14.559   3.188 -18.407
  581    HD3  LYS  73           2HD      LYS  73  13.759   2.364 -17.047
  582    HE2  LYS  73           1HE      LYS  73  11.561   3.190 -17.823
  583    HE3  LYS  73           2HE      LYS  73  12.338   4.038 -19.167
  584    HZ1  LYS  73           3HZ      LYS  73  12.359   1.088 -18.780
  585    HZ2  LYS  73           1HZ      LYS  73  13.079   1.875 -20.020
  586    HZ3  LYS  73           2HZ      LYS  73  11.455   1.889 -19.876
  587    H    TYR  74           H        TYR  74  14.336   5.123 -12.978
  588    HA   TYR  74           HA       TYR  74  17.015   5.356 -11.662
  589    HB2  TYR  74           1HB      TYR  74  14.402   6.676 -10.917
  590    HB3  TYR  74           2HB      TYR  74  15.523   6.192  -9.654
  591    HD1  TYR  74           1HD      TYR  74  15.114   8.448 -12.594
  592    HD2  TYR  74           2HD      TYR  74  17.633   7.245  -9.309
  593    HE1  TYR  74           1HE      TYR  74  16.653  10.341 -13.090
  594    HE2  TYR  74           2HE      TYR  74  19.205   9.117  -9.832
  595    HH   TYR  74           HH       TYR  74  18.549  11.471 -12.410
  596    H    SER  75           H        SER  75  17.616   3.621 -10.608
  597    HA   SER  75           HA       SER  75  15.883   1.324 -10.304
  598    HB2  SER  75           1HB      SER  75  18.747   1.808  -9.413
  599    HB3  SER  75           2HB      SER  75  17.929   0.237  -9.443
  600    HG   SER  75           HG       SER  75  19.231   0.723 -11.341
  601    H    ASP  76           H        ASP  76  16.321   3.964  -8.258
  602    HA   ASP  76           HA       ASP  76  14.899   2.544  -6.097
  603    HB2  ASP  76           1HB      ASP  76  17.447   2.807  -5.563
  604    HB3  ASP  76           2HB      ASP  76  17.099   4.515  -5.394
  605    H    VAL  77           H        VAL  77  13.181   3.750  -5.386
  606    HA   VAL  77           HA       VAL  77  12.474   6.223  -6.689
  607    HB   VAL  77           HB       VAL  77  10.872   4.562  -5.701
  608   HG11  VAL  77          1HG1      VAL  77  11.452   5.875  -3.018
  609   HG12  VAL  77          2HG1      VAL  77  10.244   4.630  -3.381
  610   HG13  VAL  77          3HG1      VAL  77  11.966   4.232  -3.475
  611   HG21  VAL  77          3HG2      VAL  77  10.178   6.831  -6.390
  612   HG22  VAL  77          1HG2      VAL  77   9.228   6.228  -5.023
  613   HG23  VAL  77          2HG2      VAL  77  10.504   7.430  -4.749
  614    H    LYS  78           H        LYS  78  14.173   5.548  -3.609
  615    HA   LYS  78           HA       LYS  78  14.030   8.278  -2.625
  616    HB2  LYS  78           1HB      LYS  78  16.093   6.113  -2.033
  617    HB3  LYS  78           2HB      LYS  78  15.853   7.593  -1.109
  618    HG2  LYS  78           1HG      LYS  78  13.842   5.313  -1.380
  619    HG3  LYS  78           2HG      LYS  78  14.865   5.664   0.011
  620    HD2  LYS  78           1HD      LYS  78  13.690   7.877   0.282
  621    HD3  LYS  78           2HD      LYS  78  12.648   7.455  -1.080
  622    HE2  LYS  78           1HE      LYS  78  11.404   6.974   0.875
  623    HE3  LYS  78           2HE      LYS  78  11.862   5.431   0.155
  624    HZ1  LYS  78           3HZ      LYS  78  13.236   6.715   2.464
  625    HZ2  LYS  78           1HZ      LYS  78  13.639   5.263   1.824
  626    HZ3  LYS  78           2HZ      LYS  78  12.203   5.458   2.568
  627    H    ASN  79           H        ASN  79  16.305   6.655  -4.819
  628    HA   ASN  79           HA       ASN  79  18.060   8.975  -4.951
  629    HB2  ASN  79           1HB      ASN  79  17.754   6.530  -6.758
  630    HB3  ASN  79           2HB      ASN  79  18.981   7.773  -6.983
  631   HD21  ASN  79          1HD2      ASN  79  19.958   5.311  -6.742
  632   HD22  ASN  79          2HD2      ASN  79  20.665   5.088  -5.149
  633    H    LEU  80           H        LEU  80  15.178   7.958  -6.778
  634    HA   LEU  80           HA       LEU  80  15.313   9.991  -8.771
  635    HB2  LEU  80           1HB      LEU  80  13.769   8.045  -8.852
  636    HB3  LEU  80           2HB      LEU  80  12.898   8.706  -7.462
  637    HG   LEU  80           HG       LEU  80  12.206  10.670  -8.743
  638   HD11  LEU  80          1HD1      LEU  80  13.422   9.266 -11.150
  639   HD12  LEU  80          2HD1      LEU  80  14.116  10.716 -10.387
  640   HD13  LEU  80          3HD1      LEU  80  12.529  10.804 -11.126
  641   HD21  LEU  80          3HD2      LEU  80  11.580   8.060 -10.163
  642   HD22  LEU  80          1HD2      LEU  80  10.603   9.542 -10.193
  643   HD23  LEU  80          2HD2      LEU  80  10.787   8.639  -8.678
  644    H    ILE  81           H        ILE  81  13.882  10.054  -5.449
  645    HA   ILE  81           HA       ILE  81  12.871  12.709  -5.590
  646    HB   ILE  81           HB       ILE  81  14.038  11.489  -3.077
  647   HG12  ILE  81          1HG1      ILE  81  12.679   9.780  -3.792
  648   HG13  ILE  81          2HG1      ILE  81  11.791  10.612  -2.580
  649   HG21  ILE  81          1HG2      ILE  81  11.828  13.520  -3.576
  650   HG22  ILE  81          2HG2      ILE  81  12.263  12.852  -1.987
  651   HG23  ILE  81          3HG2      ILE  81  13.431  13.836  -2.874
  652   HD11  ILE  81          3HD1      ILE  81  10.418  11.761  -4.333
  653   HD12  ILE  81          1HD1      ILE  81  11.275  10.818  -5.574
  654   HD13  ILE  81          2HD1      ILE  81  10.273   9.993  -4.370
  655    H    LYS  82           H        LYS  82  16.065  11.554  -4.443
  656    HA   LYS  82           HA       LYS  82  17.180  14.100  -3.875
  657    HB2  LYS  82           1HB      LYS  82  18.089  11.875  -3.190
  658    HB3  LYS  82           2HB      LYS  82  18.606  11.579  -4.856
  659    HG2  LYS  82           1HG      LYS  82  20.090  13.571  -4.745
  660    HG3  LYS  82           2HG      LYS  82  19.582  13.867  -3.081
  661    HD2  LYS  82           1HD      LYS  82  21.023  11.384  -4.119
  662    HD3  LYS  82           2HD      LYS  82  21.799  12.717  -3.277
  663    HE2  LYS  82           1HE      LYS  82  19.652  10.903  -2.075
  664    HE3  LYS  82           2HE      LYS  82  21.390  10.697  -1.860
  665    HZ1  LYS  82           3HZ      LYS  82  21.471  12.883  -0.790
  666    HZ2  LYS  82           1HZ      LYS  82  20.449  11.895   0.007
  667    HZ3  LYS  82           2HZ      LYS  82  19.854  13.072  -0.950
  668    H    HIS  83           H        HIS  83  17.199  12.298  -6.973
  669    HA   HIS  83           HA       HIS  83  18.575  14.257  -8.548
  670    HB2  HIS  83           1HB      HIS  83  18.282  12.083  -9.439
  671    HB3  HIS  83           2HB      HIS  83  16.554  12.075  -9.134
  672    HD1  HIS  83           1HD      HIS  83  19.026  13.851 -11.525
  673    HD2  HIS  83           2HD      HIS  83  14.963  12.888 -11.024
  674    HE1  HIS  83           1HE      HIS  83  17.907  14.438 -13.726
  675    H    ILE  84           H        ILE  84  15.023  13.975  -7.912
  676    HA   ILE  84           HA       ILE  84  14.357  16.295  -9.469
  677    HB   ILE  84           HB       ILE  84  12.981  14.857  -7.192
  678   HG12  ILE  84          1HG1      ILE  84  12.171  15.030 -10.126
  679   HG13  ILE  84          2HG1      ILE  84  13.299  13.811  -9.545
  680   HG21  ILE  84          1HG2      ILE  84  12.168  17.176  -7.093
  681   HG22  ILE  84          2HG2      ILE  84  11.900  17.189  -8.846
  682   HG23  ILE  84          3HG2      ILE  84  10.914  16.160  -7.786
  683   HD11  ILE  84          3HD1      ILE  84  10.425  14.129  -8.625
  684   HD12  ILE  84          1HD1      ILE  84  11.119  12.826  -9.608
  685   HD13  ILE  84          2HD1      ILE  84  11.612  13.014  -7.906
  686    H    ARG  85           H        ARG  85  15.132  15.972  -6.001
  687    HA   ARG  85           HA       ARG  85  14.936  18.766  -5.339
  688    HB2  ARG  85           1HB      ARG  85  16.536  16.490  -4.091
  689    HB3  ARG  85           2HB      ARG  85  16.428  18.113  -3.401
  690    HG2  ARG  85           1HG      ARG  85  13.982  17.926  -3.248
  691    HG3  ARG  85           2HG      ARG  85  14.028  16.310  -3.939
  692    HD2  ARG  85           1HD      ARG  85  13.819  16.074  -1.550
  693    HD3  ARG  85           2HD      ARG  85  15.416  15.522  -2.036
  694    HE   ARG  85           HE       ARG  85  16.407  17.256  -0.849
  695   HH11  ARG  85          2HH1      ARG  85  12.967  17.942  -0.945
  696   HH12  ARG  85          1HH1      ARG  85  13.108  19.236   0.211
  697   HH21  ARG  85          2HH2      ARG  85  16.505  18.920   0.610
  698   HH22  ARG  85          1HH2      ARG  85  15.057  19.769   1.064
  699    H    ASP  86           H        ASP  86  17.517  17.090  -6.962
  700    HA   ASP  86           HA       ASP  86  19.392  19.374  -6.619
  701    HB2  ASP  86           1HB      ASP  86  19.684  16.602  -7.819
  702    HB3  ASP  86           2HB      ASP  86  20.925  17.841  -7.947
  703    H    ALA  87           H        ALA  87  17.686  17.733  -9.307
  704    HA   ALA  87           HA       ALA  87  18.826  19.668 -11.246
  705    HB1  ALA  87           1HB      ALA  87  18.192  17.981 -12.896
  706    HB2  ALA  87           2HB      ALA  87  19.122  17.230 -11.585
  707    HB3  ALA  87           3HB      ALA  87  17.355  17.031 -11.654
  708    H    HIS  88           H        HIS  88  15.700  18.837  -9.830
  709    HA   HIS  88           HA       HIS  88  14.310  20.716 -11.689
  710    HB2  HIS  88           1HB      HIS  88  13.208  18.157 -10.512
  711    HB3  HIS  88           2HB      HIS  88  12.453  19.202 -11.700
  712    HD1  HIS  88           1HD      HIS  88  14.504  19.399 -13.994
  713    HD2  HIS  88           2HD      HIS  88  13.878  15.984 -11.639
  714    HE1  HIS  88           1HE      HIS  88  15.308  17.434 -15.399
  715    H    ASP  89           H        ASP  89  15.424  21.217  -8.972
  716    HA   ASP  89           HA       ASP  89  13.700  21.097  -6.920
  717    HB2  ASP  89           1HB      ASP  89  14.988  22.769  -5.811
  718    HB3  ASP  89           2HB      ASP  89  16.035  21.728  -6.763
  719    HA   PRO  90           HA       PRO  90  10.203  23.824  -7.517
  720    HB2  PRO  90           1HB      PRO  90  10.501  24.180  -4.526
  721    HB3  PRO  90           2HB      PRO  90   9.013  23.897  -5.483
  722    HG2  PRO  90           1HG      PRO  90  10.209  21.854  -4.155
  723    HG3  PRO  90           2HG      PRO  90   9.573  21.606  -5.813
  724    HD2  PRO  90           1HD      PRO  90  12.451  22.005  -4.959
  725    HD3  PRO  90           2HD      PRO  90  11.743  20.948  -6.210
  726    H    GLN  91           H        GLN  91   9.897  25.937  -7.963
  727    HA   GLN  91           HA       GLN  91  11.999  27.901  -7.218
  728    HB2  GLN  91           1HB      GLN  91   9.888  27.932  -9.404
  729    HB3  GLN  91           2HB      GLN  91  11.089  29.199  -9.117
  730    HG2  GLN  91           1HG      GLN  91  12.921  27.550  -9.487
  731    HG3  GLN  91           2HG      GLN  91  11.724  26.310  -9.859
  732   HE21  GLN  91          1HE2      GLN  91  13.443  26.552 -11.823
  733   HE22  GLN  91          2HE2      GLN  91  12.808  27.524 -13.144
  734    H    ASP  92           H        ASP  92   8.989  27.099  -6.033
  735    HA   ASP  92           HA       ASP  92   8.606  29.721  -4.715
  736    HB2  ASP  92           1HB      ASP  92   7.196  29.823  -6.731
  737    HB3  ASP  92           2HB      ASP  92   6.433  28.297  -6.300
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1   3.224 -42.934  -7.005
    2    H2   GLY   1           2H       GLY   1   2.741 -44.323  -7.727
    3    H3   GLY   1           3H       GLY   1   2.711 -44.195  -6.094
    4    HA2  GLY   1           1HA      GLY   1   1.035 -42.642  -7.957
    5    HA3  GLY   1           2HA      GLY   1   0.480 -44.017  -6.986
    6    H    SER   2           H        SER   2  -0.171 -41.019  -7.064
    7    HA   SER   2           HA       SER   2   0.007 -40.461  -4.133
    8    HB2  SER   2           1HB      SER   2   0.625 -38.477  -6.356
    9    HB3  SER   2           2HB      SER   2   0.539 -38.112  -4.623
   10    HG   SER   2           HG       SER   2   2.697 -38.463  -5.342
   11    H    SER   3           H        SER   3  -1.620 -39.121  -3.287
   12    HA   SER   3           HA       SER   3  -4.198 -39.483  -4.483
   13    HB2  SER   3           1HB      SER   3  -3.431 -37.811  -2.066
   14    HB3  SER   3           2HB      SER   3  -5.047 -38.424  -2.464
   15    HG   SER   3           HG       SER   3  -3.968 -39.763  -0.938
   16    H    GLY   4           H        GLY   4  -1.993 -36.873  -4.885
   17    HA2  GLY   4           1HA      GLY   4  -2.163 -34.940  -6.154
   18    HA3  GLY   4           2HA      GLY   4  -3.821 -35.367  -6.557
   19    H    SER   5           H        SER   5  -3.974 -32.974  -6.389
   20    HA   SER   5           HA       SER   5  -3.992 -31.766  -3.711
   21    HB2  SER   5           1HB      SER   5  -4.352 -29.666  -4.980
   22    HB3  SER   5           2HB      SER   5  -2.917 -30.568  -5.491
   23    HG   SER   5           HG       SER   5  -4.167 -29.827  -7.279
   24    H    SER   6           H        SER   6  -6.255 -33.613  -5.124
   25    HA   SER   6           HA       SER   6  -8.639 -32.125  -5.194
   26    HB2  SER   6           1HB      SER   6  -8.275 -35.081  -4.577
   27    HB3  SER   6           2HB      SER   6  -9.766 -34.302  -5.142
   28    HG   SER   6           HG       SER   6  -8.580 -35.258  -6.865
   29    H    GLY   7           H        GLY   7 -10.497 -32.125  -3.874
   30    HA2  GLY   7           1HA      GLY   7 -11.744 -32.242  -1.896
   31    HA3  GLY   7           2HA      GLY   7 -10.349 -32.841  -1.009
   32    H    LYS   8           H        LYS   8 -11.920 -31.025   0.163
   33    HA   LYS   8           HA       LYS   8 -12.201 -28.955   1.069
   34    HB2  LYS   8           1HB      LYS   8  -9.179 -29.078   1.059
   35    HB3  LYS   8           2HB      LYS   8 -10.143 -27.914   1.979
   36    HG2  LYS   8           1HG      LYS   8 -11.260 -29.748   3.198
   37    HG3  LYS   8           2HG      LYS   8 -10.290 -30.938   2.310
   38    HD2  LYS   8           1HD      LYS   8  -8.213 -29.956   3.242
   39    HD3  LYS   8           2HD      LYS   8  -9.173 -28.749   4.122
   40    HE2  LYS   8           1HE      LYS   8 -10.339 -30.578   5.347
   41    HE3  LYS   8           2HE      LYS   8  -9.367 -31.775   4.480
   42    HZ1  LYS   8           3HZ      LYS   8  -7.377 -30.806   5.506
   43    HZ2  LYS   8           1HZ      LYS   8  -8.425 -31.279   6.663
   44    HZ3  LYS   8           2HZ      LYS   8  -8.275 -29.695   6.305
   45    HA   PRO   9           HA       PRO   9 -11.607 -26.909  -3.120
   46    HB2  PRO   9           1HB      PRO   9 -14.289 -26.212  -3.482
   47    HB3  PRO   9           2HB      PRO   9 -13.523 -27.736  -3.987
   48    HG2  PRO   9           1HG      PRO   9 -15.122 -27.263  -1.501
   49    HG3  PRO   9           2HG      PRO   9 -15.242 -28.615  -2.664
   50    HD2  PRO   9           1HD      PRO   9 -13.828 -28.867  -0.373
   51    HD3  PRO   9           2HD      PRO   9 -13.221 -29.572  -1.896
   52    H    TYR  10           H        TYR  10 -13.371 -25.779  -0.250
   53    HA   TYR  10           HA       TYR  10 -13.379 -23.001  -1.129
   54    HB2  TYR  10           1HB      TYR  10 -14.126 -24.294   1.512
   55    HB3  TYR  10           2HB      TYR  10 -14.408 -22.610   1.083
   56    HD1  TYR  10           1HD      TYR  10 -16.149 -21.993  -0.560
   57    HD2  TYR  10           2HD      TYR  10 -15.389 -26.117   0.429
   58    HE1  TYR  10           1HE      TYR  10 -18.324 -22.658  -1.602
   59    HE2  TYR  10           2HE      TYR  10 -17.565 -26.768  -0.548
   60    HH   TYR  10           HH       TYR  10 -19.467 -26.050  -1.626
   61    H    LYS  11           H        LYS  11 -11.469 -21.985  -1.212
   62    HA   LYS  11           HA       LYS  11  -9.342 -22.460   0.825
   63    HB2  LYS  11           1HB      LYS  11  -9.099 -20.807  -1.703
   64    HB3  LYS  11           2HB      LYS  11  -7.810 -21.475  -0.715
   65    HG2  LYS  11           1HG      LYS  11  -9.682 -22.979  -2.577
   66    HG3  LYS  11           2HG      LYS  11  -7.968 -22.653  -2.801
   67    HD2  LYS  11           1HD      LYS  11  -7.449 -24.093  -0.821
   68    HD3  LYS  11           2HD      LYS  11  -9.184 -24.485  -0.696
   69    HE2  LYS  11           1HE      LYS  11  -9.138 -25.347  -3.034
   70    HE3  LYS  11           2HE      LYS  11  -7.406 -25.000  -3.126
   71    HZ1  LYS  11           3HZ      LYS  11  -7.075 -26.601  -1.301
   72    HZ2  LYS  11           1HZ      LYS  11  -7.815 -27.329  -2.565
   73    HZ3  LYS  11           2HZ      LYS  11  -8.692 -26.910  -1.251
   74    H    CYS  12           H        CYS  12  -8.304 -20.798   1.960
   75    HA   CYS  12           HA       CYS  12  -9.809 -18.360   2.456
   76    HB2  CYS  12           1HB      CYS  12  -8.738 -19.573   4.221
   77    HB3  CYS  12           2HB      CYS  12  -7.153 -19.384   3.457
   78    HA   PRO  13           HA       PRO  13  -7.429 -16.097  -0.683
   79    HB2  PRO  13           1HB      PRO  13  -8.530 -13.625  -0.346
   80    HB3  PRO  13           2HB      PRO  13  -9.419 -14.988  -1.091
   81    HG2  PRO  13           1HG      PRO  13  -9.610 -13.943   1.734
   82    HG3  PRO  13           2HG      PRO  13 -10.929 -14.448   0.642
   83    HD2  PRO  13           1HD      PRO  13  -9.779 -16.078   2.610
   84    HD3  PRO  13           2HD      PRO  13 -10.611 -16.695   1.156
   85    H    GLN  14           H        GLN  14  -7.197 -15.871   2.718
   86    HA   GLN  14           HA       GLN  14  -5.077 -13.764   2.618
   87    HB2  GLN  14           1HB      GLN  14  -6.800 -14.540   4.991
   88    HB3  GLN  14           2HB      GLN  14  -5.684 -13.183   4.841
   89    HG2  GLN  14           1HG      GLN  14  -7.211 -12.562   2.755
   90    HG3  GLN  14           2HG      GLN  14  -8.385 -13.602   3.556
   91   HE21  GLN  14          1HE2      GLN  14  -9.751 -12.571   5.024
   92   HE22  GLN  14          2HE2      GLN  14  -9.386 -11.003   5.729
   93    H    CYS  15           H        CYS  15  -5.676 -17.101   3.626
   94    HA   CYS  15           HA       CYS  15  -2.750 -17.351   4.003
   95    HB2  CYS  15           1HB      CYS  15  -2.860 -18.441   6.125
   96    HB3  CYS  15           2HB      CYS  15  -3.659 -16.880   6.255
   97    H    SER  16           H        SER  16  -2.493 -19.924   4.754
   98    HA   SER  16           HA       SER  16  -3.038 -21.335   2.270
   99    HB2  SER  16           1HB      SER  16  -1.650 -23.112   3.307
  100    HB3  SER  16           2HB      SER  16  -0.872 -21.523   3.298
  101    HG   SER  16           HG       SER  16  -0.671 -22.591   5.332
  102    H    TYR  17           H        TYR  17  -5.040 -20.913   4.874
  103    HA   TYR  17           HA       TYR  17  -6.021 -23.481   5.515
  104    HB2  TYR  17           1HB      TYR  17  -6.509 -21.485   6.795
  105    HB3  TYR  17           2HB      TYR  17  -7.346 -20.757   5.443
  106    HD1  TYR  17           1HD      TYR  17  -7.455 -23.474   7.997
  107    HD2  TYR  17           2HD      TYR  17  -9.712 -21.306   5.023
  108    HE1  TYR  17           1HE      TYR  17  -9.586 -24.364   8.945
  109    HE2  TYR  17           2HE      TYR  17 -11.828 -22.157   6.002
  110    HH   TYR  17           HH       TYR  17 -12.770 -23.249   7.783
  111    H    ALA  18           H        ALA  18  -7.720 -24.716   4.870
  112    HA   ALA  18           HA       ALA  18  -9.494 -23.893   2.730
  113    HB1  ALA  18           1HB      ALA  18  -7.812 -26.423   2.423
  114    HB2  ALA  18           2HB      ALA  18  -9.090 -25.856   1.325
  115    HB3  ALA  18           3HB      ALA  18  -7.590 -24.925   1.490
  116    H    SER  19           H        SER  19 -11.431 -25.154   2.627
  117    HA   SER  19           HA       SER  19 -11.769 -27.426   4.481
  118    HB2  SER  19           1HB      SER  19 -12.373 -25.272   5.728
  119    HB3  SER  19           2HB      SER  19 -13.743 -25.127   4.612
  120    HG   SER  19           HG       SER  19 -13.140 -27.200   6.478
  121    H    ALA  20           H        ALA  20 -13.933 -28.461   4.220
  122    HA   ALA  20           HA       ALA  20 -14.687 -28.663   1.385
  123    HB1  ALA  20           1HB      ALA  20 -15.794 -30.726   2.090
  124    HB2  ALA  20           2HB      ALA  20 -14.123 -30.681   2.684
  125    HB3  ALA  20           3HB      ALA  20 -15.472 -30.338   3.793
  126    H    ILE  21           H        ILE  21 -15.732 -26.654   3.772
  127    HA   ILE  21           HA       ILE  21 -18.565 -26.578   2.803
  128    HB   ILE  21           HB       ILE  21 -17.578 -26.461   5.676
  129   HG12  ILE  21          1HG1      ILE  21 -19.181 -28.608   4.212
  130   HG13  ILE  21          2HG1      ILE  21 -17.539 -28.765   4.841
  131   HG21  ILE  21          1HG2      ILE  21 -19.504 -24.973   5.328
  132   HG22  ILE  21          2HG2      ILE  21 -20.437 -26.319   4.631
  133   HG23  ILE  21          3HG2      ILE  21 -19.934 -26.319   6.340
  134   HD11  ILE  21          3HD1      ILE  21 -18.440 -28.451   7.168
  135   HD12  ILE  21          1HD1      ILE  21 -20.081 -28.574   6.477
  136   HD13  ILE  21          2HD1      ILE  21 -18.956 -29.929   6.331
  137    H    LYS  22           H        LYS  22 -19.320 -24.559   2.345
  138    HA   LYS  22           HA       LYS  22 -17.609 -22.279   2.296
  139    HB2  LYS  22           1HB      LYS  22 -19.602 -22.647   0.817
  140    HB3  LYS  22           2HB      LYS  22 -20.658 -22.381   2.197
  141    HG2  LYS  22           1HG      LYS  22 -20.601 -20.378   0.888
  142    HG3  LYS  22           2HG      LYS  22 -19.774 -20.040   2.406
  143    HD2  LYS  22           1HD      LYS  22 -17.561 -20.296   1.226
  144    HD3  LYS  22           2HD      LYS  22 -18.440 -20.690  -0.256
  145    HE2  LYS  22           1HE      LYS  22 -17.965 -18.456  -0.589
  146    HE3  LYS  22           2HE      LYS  22 -19.622 -18.414   0.013
  147    HZ1  LYS  22           3HZ      LYS  22 -17.159 -17.839   1.580
  148    HZ2  LYS  22           1HZ      LYS  22 -18.638 -17.910   2.263
  149    HZ3  LYS  22           2HZ      LYS  22 -18.303 -16.762   1.149
  150    H    ALA  23           H        ALA  23 -20.128 -23.158   4.677
  151    HA   ALA  23           HA       ALA  23 -19.941 -20.858   6.314
  152    HB1  ALA  23           1HB      ALA  23 -20.565 -23.728   7.127
  153    HB2  ALA  23           2HB      ALA  23 -20.972 -22.261   8.034
  154    HB3  ALA  23           3HB      ALA  23 -21.728 -22.559   6.458
  155    H    ASN  24           H        ASN  24 -17.851 -23.768   6.290
  156    HA   ASN  24           HA       ASN  24 -16.320 -22.976   8.633
  157    HB2  ASN  24           1HB      ASN  24 -15.751 -24.900   6.321
  158    HB3  ASN  24           2HB      ASN  24 -14.684 -24.683   7.688
  159   HD21  ASN  24          1HD2      ASN  24 -15.316 -27.121   7.295
  160   HD22  ASN  24          2HD2      ASN  24 -16.502 -27.691   8.478
  161    H    LEU  25           H        LEU  25 -16.124 -22.108   5.201
  162    HA   LEU  25           HA       LEU  25 -13.570 -20.718   5.581
  163    HB2  LEU  25           1HB      LEU  25 -14.126 -21.599   3.391
  164    HB3  LEU  25           2HB      LEU  25 -15.601 -20.632   3.329
  165    HG   LEU  25           HG       LEU  25 -14.281 -18.551   3.317
  166   HD11  LEU  25          1HD1      LEU  25 -12.259 -19.236   4.562
  167   HD12  LEU  25          2HD1      LEU  25 -11.851 -18.610   2.973
  168   HD13  LEU  25          3HD1      LEU  25 -11.825 -20.365   3.258
  169   HD21  LEU  25          3HD2      LEU  25 -14.874 -19.697   1.191
  170   HD22  LEU  25          1HD2      LEU  25 -13.298 -20.524   1.226
  171   HD23  LEU  25          2HD2      LEU  25 -13.373 -18.761   1.075
  172    H    ASN  26           H        ASN  26 -17.036 -19.700   5.415
  173    HA   ASN  26           HA       ASN  26 -16.704 -16.939   5.840
  174    HB2  ASN  26           1HB      ASN  26 -18.802 -18.742   7.157
  175    HB3  ASN  26           2HB      ASN  26 -18.916 -17.003   6.978
  176   HD21  ASN  26          1HD2      ASN  26 -20.885 -18.670   6.254
  177   HD22  ASN  26          2HD2      ASN  26 -21.095 -18.577   4.501
  178    H    VAL  27           H        VAL  27 -16.895 -19.525   8.321
  179    HA   VAL  27           HA       VAL  27 -16.686 -17.764  10.536
  180    HB   VAL  27           HB       VAL  27 -17.450 -20.282  10.297
  181   HG11  VAL  27          1HG1      VAL  27 -16.076 -21.897  11.363
  182   HG12  VAL  27          2HG1      VAL  27 -15.245 -21.279   9.934
  183   HG13  VAL  27          3HG1      VAL  27 -14.744 -20.740  11.557
  184   HG21  VAL  27          3HG2      VAL  27 -17.901 -18.799  12.141
  185   HG22  VAL  27          1HG2      VAL  27 -17.390 -20.376  12.773
  186   HG23  VAL  27          2HG2      VAL  27 -16.238 -19.010  12.757
  187    H    HIS  28           H        HIS  28 -14.279 -19.471   8.713
  188    HA   HIS  28           HA       HIS  28 -12.050 -19.059  10.402
  189    HB2  HIS  28           1HB      HIS  28 -12.103 -20.756   8.719
  190    HB3  HIS  28           2HB      HIS  28 -12.347 -19.593   7.424
  191    HD1  HIS  28           1HD      HIS  28  -9.492 -20.824   9.656
  192    HD2  HIS  28           2HD      HIS  28 -10.299 -18.257   6.429
  193    HE1  HIS  28           1HE      HIS  28  -7.230 -19.959   8.871
  194    H    LEU  29           H        LEU  29 -13.306 -17.040   7.718
  195    HA   LEU  29           HA       LEU  29 -11.131 -15.220   7.538
  196    HB2  LEU  29           1HB      LEU  29 -14.093 -14.765   7.044
  197    HB3  LEU  29           2HB      LEU  29 -12.826 -13.677   6.505
  198    HG   LEU  29           HG       LEU  29 -12.954 -16.567   5.583
  199   HD11  LEU  29          1HD1      LEU  29 -15.033 -15.404   4.932
  200   HD12  LEU  29          2HD1      LEU  29 -14.005 -15.734   3.528
  201   HD13  LEU  29          3HD1      LEU  29 -14.073 -14.092   4.212
  202   HD21  LEU  29          3HD2      LEU  29 -11.621 -15.770   3.717
  203   HD22  LEU  29          1HD2      LEU  29 -10.773 -15.516   5.245
  204   HD23  LEU  29          2HD2      LEU  29 -11.558 -14.139   4.419
  205    H    ARG  30           H        ARG  30 -13.555 -15.436   9.991
  206    HA   ARG  30           HA       ARG  30 -13.712 -12.777  10.952
  207    HB2  ARG  30           1HB      ARG  30 -13.933 -15.413  12.477
  208    HB3  ARG  30           2HB      ARG  30 -14.478 -13.855  13.075
  209    HG2  ARG  30           1HG      ARG  30 -16.065 -13.648  11.177
  210    HG3  ARG  30           2HG      ARG  30 -15.552 -15.237  10.582
  211    HD2  ARG  30           1HD      ARG  30 -16.301 -16.280  12.697
  212    HD3  ARG  30           2HD      ARG  30 -16.835 -14.690  13.285
  213    HE   ARG  30           HE       ARG  30 -18.057 -15.181  10.756
  214   HH11  ARG  30          2HH1      ARG  30 -18.328 -16.354  14.046
  215   HH12  ARG  30          1HH1      ARG  30 -20.002 -16.793  13.851
  216   HH21  ARG  30          2HH2      ARG  30 -20.199 -15.755  10.577
  217   HH22  ARG  30          1HH2      ARG  30 -21.025 -16.465  11.932
  218    H    LYS  31           H        LYS  31 -11.111 -15.043  11.362
  219    HA   LYS  31           HA       LYS  31  -9.845 -13.564  13.572
  220    HB2  LYS  31           1HB      LYS  31  -8.265 -15.235  13.644
  221    HB3  LYS  31           2HB      LYS  31  -9.745 -16.061  13.155
  222    HG2  LYS  31           1HG      LYS  31  -8.861 -15.975  10.747
  223    HG3  LYS  31           2HG      LYS  31  -7.370 -15.296  11.389
  224    HD2  LYS  31           1HD      LYS  31  -7.020 -17.644  11.078
  225    HD3  LYS  31           2HD      LYS  31  -7.055 -17.304  12.814
  226    HE2  LYS  31           1HE      LYS  31  -9.509 -18.029  12.798
  227    HE3  LYS  31           2HE      LYS  31  -9.286 -18.524  11.120
  228    HZ1  LYS  31           3HZ      LYS  31  -8.954 -20.384  12.675
  229    HZ2  LYS  31           1HZ      LYS  31  -7.782 -19.584  13.468
  230    HZ3  LYS  31           2HZ      LYS  31  -7.528 -20.067  11.932
  231    H    HIS  32           H        HIS  32  -9.750 -13.335  10.160
  232    HA   HIS  32           HA       HIS  32  -7.101 -12.076  10.025
  233    HB2  HIS  32           1HB      HIS  32  -9.174 -12.692   7.896
  234    HB3  HIS  32           2HB      HIS  32  -7.591 -11.996   7.582
  235    HD1  HIS  32           1HD      HIS  32  -5.614 -13.788   9.092
  236    HD2  HIS  32           2HD      HIS  32  -8.999 -15.112   6.985
  237    HE1  HIS  32           1HE      HIS  32  -5.109 -16.177   8.421
  238    H    THR  33           H        THR  33 -10.001 -10.706  10.953
  239    HA   THR  33           HA       THR  33  -9.705  -8.187   9.484
  240    HB   THR  33           HB       THR  33 -11.404  -7.341  11.154
  241    HG1  THR  33           1HG      THR  33 -11.093  -8.871  12.799
  242   HG21  THR  33          3HG2      THR  33 -11.951  -8.152   8.906
  243   HG22  THR  33          1HG2      THR  33 -13.227  -8.575  10.068
  244   HG23  THR  33          2HG2      THR  33 -12.077  -9.820   9.512
  245    H    GLY  34           H        GLY  34  -8.816  -6.300  10.121
  246    HA2  GLY  34           1HA      GLY  34  -7.789  -5.456  12.575
  247    HA3  GLY  34           2HA      GLY  34  -6.604  -6.584  11.905
  248    H    GLU  35           H        GLU  35  -5.218  -4.581  11.989
  249    HA   GLU  35           HA       GLU  35  -5.685  -2.474  10.043
  250    HB2  GLU  35           1HB      GLU  35  -4.349  -2.141  12.119
  251    HB3  GLU  35           2HB      GLU  35  -3.121  -3.238  11.477
  252    HG2  GLU  35           1HG      GLU  35  -2.441  -0.923  11.156
  253    HG3  GLU  35           2HG      GLU  35  -2.693  -1.691   9.596
  254    H    LYS  36           H        LYS  36  -5.034  -2.210   8.038
  255    HA   LYS  36           HA       LYS  36  -3.958  -4.637   6.657
  256    HB2  LYS  36           1HB      LYS  36  -6.122  -2.665   5.967
  257    HB3  LYS  36           2HB      LYS  36  -5.243  -3.477   4.668
  258    HG2  LYS  36           1HG      LYS  36  -6.321  -5.155   6.956
  259    HG3  LYS  36           2HG      LYS  36  -7.427  -4.568   5.719
  260    HD2  LYS  36           1HD      LYS  36  -6.022  -5.572   3.945
  261    HD3  LYS  36           2HD      LYS  36  -4.851  -6.127   5.158
  262    HE2  LYS  36           1HE      LYS  36  -6.575  -7.596   6.152
  263    HE3  LYS  36           2HE      LYS  36  -7.754  -7.024   4.961
  264    HZ1  LYS  36           3HZ      LYS  36  -5.235  -8.457   4.295
  265    HZ2  LYS  36           1HZ      LYS  36  -6.318  -7.930   3.202
  266    HZ3  LYS  36           2HZ      LYS  36  -6.720  -9.123   4.273
  267    H    PHE  37           H        PHE  37  -1.975  -4.413   6.441
  268    HA   PHE  37           HA       PHE  37  -0.602  -1.947   5.646
  269    HB2  PHE  37           1HB      PHE  37   0.421  -4.783   6.124
  270    HB3  PHE  37           2HB      PHE  37   1.406  -3.335   5.981
  271    HD1  PHE  37           2HD      PHE  37   1.457  -1.623   7.775
  272    HD2  PHE  37           1HD      PHE  37  -0.868  -5.223   8.173
  273    HE1  PHE  37           2HE      PHE  37   1.118  -1.146  10.175
  274    HE2  PHE  37           1HE      PHE  37  -1.233  -4.738  10.568
  275    HZ   PHE  37           HZ       PHE  37  -0.327  -2.656  11.563
  276    H    ALA  38           H        ALA  38  -1.024  -1.361   3.597
  277    HA   ALA  38           HA       ALA  38  -1.300  -3.359   1.456
  278    HB1  ALA  38           1HB      ALA  38  -2.238  -1.502   0.179
  279    HB2  ALA  38           2HB      ALA  38  -3.011  -1.575   1.779
  280    HB3  ALA  38           3HB      ALA  38  -1.764  -0.352   1.442
  281    H    CYS  39           H        CYS  39  -0.103  -3.503  -0.427
  282    HA   CYS  39           HA       CYS  39   2.599  -2.483  -0.442
  283    HB2  CYS  39           1HB      CYS  39   1.863  -4.637  -1.243
  284    HB3  CYS  39           2HB      CYS  39   0.856  -3.880  -2.479
  285    H    ASP  40           H        ASP  40   3.487  -0.888  -1.551
  286    HA   ASP  40           HA       ASP  40   1.766   1.247  -2.645
  287    HB2  ASP  40           1HB      ASP  40   3.689   1.674  -1.065
  288    HB3  ASP  40           2HB      ASP  40   4.790   1.160  -2.341
  289    H    TYR  41           H        TYR  41   3.042  -1.576  -3.849
  290    HA   TYR  41           HA       TYR  41   3.651  -0.482  -6.575
  291    HB2  TYR  41           1HB      TYR  41   4.773  -2.915  -5.150
  292    HB3  TYR  41           2HB      TYR  41   5.123  -2.428  -6.787
  293    HD1  TYR  41           2HD      TYR  41   5.407  -1.479  -3.202
  294    HD2  TYR  41           1HD      TYR  41   6.931  -0.886  -7.189
  295    HE1  TYR  41           2HE      TYR  41   7.367  -0.237  -2.272
  296    HE2  TYR  41           1HE      TYR  41   8.925   0.287  -6.257
  297    HH   TYR  41           HH       TYR  41  10.016   0.964  -4.350
  298    H    CYS  42           H        CYS  42   1.817  -2.922  -4.784
  299    HA   CYS  42           HA       CYS  42   0.221  -3.361  -7.225
  300    HB2  CYS  42           1HB      CYS  42   0.110  -5.771  -6.987
  301    HB3  CYS  42           2HB      CYS  42   1.763  -5.231  -7.300
  302    H    SER  43           H        SER  43  -1.717  -4.941  -6.528
  303    HA   SER  43           HA       SER  43  -3.284  -3.498  -4.569
  304    HB2  SER  43           1HB      SER  43  -3.935  -6.075  -6.041
  305    HB3  SER  43           2HB      SER  43  -5.084  -5.010  -5.210
  306    HG   SER  43           HG       SER  43  -5.029  -4.620  -7.473
  307    H    PHE  44           H        PHE  44  -0.899  -5.593  -3.843
  308    HA   PHE  44           HA       PHE  44  -2.043  -7.574  -2.188
  309    HB2  PHE  44           1HB      PHE  44   0.167  -7.746  -2.969
  310    HB3  PHE  44           2HB      PHE  44   0.662  -6.243  -2.227
  311    HD1  PHE  44           1HD      PHE  44   1.128  -6.100   0.211
  312    HD2  PHE  44           2HD      PHE  44   0.095  -9.834  -1.690
  313    HE1  PHE  44           1HE      PHE  44   2.057  -7.337   2.142
  314    HE2  PHE  44           2HE      PHE  44   1.020 -11.071   0.256
  315    HZ   PHE  44           HZ       PHE  44   2.019  -9.825   2.164
  316    H    THR  45           H        THR  45  -2.329  -7.752  -0.018
  317    HA   THR  45           HA       THR  45  -1.709  -5.566   1.805
  318    HB   THR  45           HB       THR  45  -3.816  -5.711   2.994
  319    HG1  THR  45           1HG      THR  45  -4.829  -7.076   0.739
  320   HG21  THR  45          3HG2      THR  45  -4.133  -4.834   0.112
  321   HG22  THR  45          1HG2      THR  45  -3.492  -3.894   1.483
  322   HG23  THR  45          2HG2      THR  45  -5.199  -4.375   1.472
  323    H    CYS  46           H        CYS  46  -1.612  -6.150   3.960
  324    HA   CYS  46           HA       CYS  46  -1.833  -9.013   4.700
  325    HB2  CYS  46           1HB      CYS  46   0.506  -8.532   3.806
  326    HB3  CYS  46           2HB      CYS  46   0.743  -7.447   5.186
  327    HG   CYS  46           HG       CYS  46  -0.161 -10.663   5.204
  328    H    LEU  47           H        LEU  47  -1.509  -9.309   7.078
  329    HA   LEU  47           HA       LEU  47  -2.561  -7.021   8.662
  330    HB2  LEU  47           1HB      LEU  47  -2.532 -10.000   9.266
  331    HB3  LEU  47           2HB      LEU  47  -3.084  -8.754  10.363
  332    HG   LEU  47           HG       LEU  47  -5.004  -9.708   9.502
  333   HD11  LEU  47          1HD1      LEU  47  -6.182  -7.889   8.409
  334   HD12  LEU  47          2HD1      LEU  47  -4.660  -7.159   7.876
  335   HD13  LEU  47          3HD1      LEU  47  -5.059  -7.231   9.605
  336   HD21  LEU  47          3HD2      LEU  47  -5.618 -10.046   7.224
  337   HD22  LEU  47          1HD2      LEU  47  -4.036 -10.795   7.475
  338   HD23  LEU  47          2HD2      LEU  47  -4.164  -9.237   6.624
  339    H    SER  48           H        SER  48   0.357  -7.774   7.761
  340    HA   SER  48           HA       SER  48   1.577  -6.797  10.291
  341    HB2  SER  48           1HB      SER  48   2.029  -9.165  10.347
  342    HB3  SER  48           2HB      SER  48   2.567  -9.161   8.658
  343    HG   SER  48           HG       SER  48   4.235  -9.048  10.402
  344    H    LYS  49           H        LYS  49   2.681  -5.093  10.005
  345    HA   LYS  49           HA       LYS  49   3.541  -3.906   7.547
  346    HB2  LYS  49           1HB      LYS  49   5.168  -2.701   9.223
  347    HB3  LYS  49           2HB      LYS  49   3.461  -2.318   9.156
  348    HG2  LYS  49           1HG      LYS  49   3.037  -3.686  11.159
  349    HG3  LYS  49           2HG      LYS  49   4.751  -4.160  11.215
  350    HD2  LYS  49           1HD      LYS  49   5.417  -1.845  11.618
  351    HD3  LYS  49           2HD      LYS  49   3.749  -1.277  11.364
  352    HE2  LYS  49           1HE      LYS  49   2.977  -2.592  13.294
  353    HE3  LYS  49           2HE      LYS  49   4.616  -3.205  13.562
  354    HZ1  LYS  49           3HZ      LYS  49   4.130  -1.321  15.017
  355    HZ2  LYS  49           1HZ      LYS  49   3.818  -0.346  13.748
  356    HZ3  LYS  49           2HZ      LYS  49   5.331  -0.913  13.993
  357    H    GLY  50           H        GLY  50   5.097  -6.233   9.707
  358    HA2  GLY  50           1HA      GLY  50   7.777  -6.040   8.634
  359    HA3  GLY  50           2HA      GLY  50   7.101  -7.358   9.602
  360    H    HIS  51           H        HIS  51   5.015  -8.293   7.979
  361    HA   HIS  51           HA       HIS  51   6.468  -9.676   5.884
  362    HB2  HIS  51           1HB      HIS  51   4.610 -10.699   7.149
  363    HB3  HIS  51           2HB      HIS  51   3.492  -9.555   6.397
  364    HD1  HIS  51           1HD      HIS  51   2.151 -11.067   4.743
  365    HD2  HIS  51           2HD      HIS  51   6.302 -11.694   4.648
  366    HE1  HIS  51           1HE      HIS  51   2.583 -12.674   2.808
  367    H    LEU  52           H        LEU  52   4.238  -6.850   5.848
  368    HA   LEU  52           HA       LEU  52   4.128  -6.526   3.028
  369    HB2  LEU  52           1HB      LEU  52   2.729  -5.191   4.505
  370    HB3  LEU  52           2HB      LEU  52   4.145  -4.494   5.293
  371    HG   LEU  52           HG       LEU  52   4.800  -3.366   3.174
  372   HD11  LEU  52          1HD1      LEU  52   3.754  -4.897   1.531
  373   HD12  LEU  52          2HD1      LEU  52   3.198  -3.242   1.345
  374   HD13  LEU  52          3HD1      LEU  52   2.140  -4.433   2.130
  375   HD21  LEU  52          3HD2      LEU  52   1.955  -2.704   3.910
  376   HD22  LEU  52          1HD2      LEU  52   3.173  -1.637   3.204
  377   HD23  LEU  52          2HD2      LEU  52   3.379  -2.222   4.864
  378    H    LYS  53           H        LYS  53   6.693  -5.454   5.350
  379    HA   LYS  53           HA       LYS  53   8.321  -4.129   3.385
  380    HB2  LYS  53           1HB      LYS  53   8.727  -3.603   5.633
  381    HB3  LYS  53           2HB      LYS  53   8.707  -5.286   6.155
  382    HG2  LYS  53           1HG      LYS  53  10.848  -5.720   5.073
  383    HG3  LYS  53           2HG      LYS  53  10.914  -4.053   4.462
  384    HD2  LYS  53           1HD      LYS  53  11.088  -3.173   6.714
  385    HD3  LYS  53           2HD      LYS  53  10.677  -4.758   7.427
  386    HE2  LYS  53           1HE      LYS  53  12.659  -5.765   6.462
  387    HE3  LYS  53           2HE      LYS  53  13.106  -4.238   5.683
  388    HZ1  LYS  53           3HZ      LYS  53  12.956  -4.667   8.627
  389    HZ2  LYS  53           1HZ      LYS  53  13.361  -3.256   7.909
  390    HZ3  LYS  53           2HZ      LYS  53  14.336  -4.555   7.766
  391    H    VAL  54           H        VAL  54   8.382  -7.511   4.612
  392    HA   VAL  54           HA       VAL  54  10.487  -8.385   2.905
  393    HB   VAL  54           HB       VAL  54   8.187  -9.960   4.120
  394   HG11  VAL  54          1HG1      VAL  54   9.653 -11.958   3.775
  395   HG12  VAL  54          2HG1      VAL  54   9.080 -11.263   2.258
  396   HG13  VAL  54          3HG1      VAL  54  10.747 -10.958   2.785
  397   HG21  VAL  54          3HG2      VAL  54  11.119  -9.673   4.902
  398   HG22  VAL  54          1HG2      VAL  54   9.765  -8.880   5.729
  399   HG23  VAL  54          2HG2      VAL  54   9.889 -10.644   5.748
  400    H    HIS  55           H        HIS  55   6.943  -8.341   2.284
  401    HA   HIS  55           HA       HIS  55   6.975  -9.509  -0.270
  402    HB2  HIS  55           1HB      HIS  55   4.893  -9.132   0.880
  403    HB3  HIS  55           2HB      HIS  55   5.188  -7.402   0.992
  404    HD1  HIS  55           1HD      HIS  55   4.091 -10.009  -1.597
  405    HD2  HIS  55           2HD      HIS  55   4.499  -5.860  -1.060
  406    HE1  HIS  55           1HE      HIS  55   3.000  -8.938  -3.622
  407    H    ILE  56           H        ILE  56   7.452  -6.028   0.542
  408    HA   ILE  56           HA       ILE  56   7.868  -5.316  -2.252
  409    HB   ILE  56           HB       ILE  56   8.501  -3.874   0.326
  410   HG12  ILE  56          1HG1      ILE  56   6.259  -3.345  -1.671
  411   HG13  ILE  56          2HG1      ILE  56   6.049  -4.350  -0.244
  412   HG21  ILE  56          1HG2      ILE  56   8.794  -1.854  -1.105
  413   HG22  ILE  56          2HG2      ILE  56   9.967  -3.094  -1.531
  414   HG23  ILE  56          3HG2      ILE  56   8.536  -2.852  -2.553
  415   HD11  ILE  56          3HD1      ILE  56   6.759  -1.403  -0.188
  416   HD12  ILE  56          1HD1      ILE  56   5.206  -2.152   0.219
  417   HD13  ILE  56          2HD1      ILE  56   6.625  -2.475   1.232
  418    H    GLU  57           H        GLU  57  10.106  -6.116   0.415
  419    HA   GLU  57           HA       GLU  57  12.552  -5.600  -0.974
  420    HB2  GLU  57           1HB      GLU  57  11.802  -7.425   1.329
  421    HB3  GLU  57           2HB      GLU  57  13.459  -7.258   0.784
  422    HG2  GLU  57           1HG      GLU  57  11.850  -4.798   1.553
  423    HG3  GLU  57           2HG      GLU  57  12.613  -5.826   2.756
  424    H    ARG  58           H        ARG  58  10.384  -8.265  -1.195
  425    HA   ARG  58           HA       ARG  58  12.367  -9.896  -2.749
  426    HB2  ARG  58           1HB      ARG  58  11.245 -11.824  -2.225
  427    HB3  ARG  58           2HB      ARG  58  11.095 -10.850  -0.777
  428    HG2  ARG  58           1HG      ARG  58   8.775 -10.189  -1.595
  429    HG3  ARG  58           2HG      ARG  58   8.965 -11.445  -2.838
  430    HD2  ARG  58           1HD      ARG  58   9.292 -13.124  -1.021
  431    HD3  ARG  58           2HD      ARG  58   9.043 -11.831   0.166
  432    HE   ARG  58           HE       ARG  58   6.939 -12.448  -1.871
  433   HH11  ARG  58          2HH1      ARG  58   7.764 -12.543   1.538
  434   HH12  ARG  58          1HH1      ARG  58   6.081 -12.599   2.021
  435   HH21  ARG  58          2HH2      ARG  58   4.843 -12.736  -1.151
  436   HH22  ARG  58          1HH2      ARG  58   4.530 -12.764   0.561
  437    H    VAL  59           H        VAL  59   9.094  -8.513  -3.160
  438    HA   VAL  59           HA       VAL  59   9.037  -9.611  -5.865
  439    HB   VAL  59           HB       VAL  59   6.900  -7.934  -4.505
  440   HG11  VAL  59          1HG1      VAL  59   6.665  -7.971  -6.968
  441   HG12  VAL  59          2HG1      VAL  59   6.780  -9.743  -6.957
  442   HG13  VAL  59          3HG1      VAL  59   5.397  -8.921  -6.200
  443   HG21  VAL  59          3HG2      VAL  59   7.141  -9.977  -3.231
  444   HG22  VAL  59          1HG2      VAL  59   5.713 -10.133  -4.236
  445   HG23  VAL  59          2HG2      VAL  59   7.213 -10.959  -4.716
  446    H    HIS  60           H        HIS  60   9.036  -6.359  -4.358
  447    HA   HIS  60           HA       HIS  60   9.258  -5.109  -7.040
  448    HB2  HIS  60           1HB      HIS  60   8.285  -3.840  -4.498
  449    HB3  HIS  60           2HB      HIS  60   8.134  -3.235  -6.143
  450    HD1  HIS  60           1HD      HIS  60   6.431  -4.850  -7.772
  451    HD2  HIS  60           2HD      HIS  60   6.278  -5.142  -3.580
  452    HE1  HIS  60           1HE      HIS  60   4.159  -5.864  -7.230
  453    H    LYS  61           H        LYS  61  11.542  -6.025  -5.276
  454    HA   LYS  61           HA       LYS  61  12.974  -3.535  -4.643
  455    HB2  LYS  61           1HB      LYS  61  12.974  -5.378  -3.144
  456    HB3  LYS  61           2HB      LYS  61  13.632  -6.478  -4.334
  457    HG2  LYS  61           1HG      LYS  61  15.158  -4.001  -3.411
  458    HG3  LYS  61           2HG      LYS  61  15.111  -5.446  -2.421
  459    HD2  LYS  61           1HD      LYS  61  16.329  -5.184  -5.182
  460    HD3  LYS  61           2HD      LYS  61  17.155  -5.468  -3.664
  461    HE2  LYS  61           1HE      LYS  61  15.340  -7.390  -5.174
  462    HE3  LYS  61           2HE      LYS  61  17.087  -7.500  -4.985
  463    HZ1  LYS  61           3HZ      LYS  61  16.014  -8.984  -3.431
  464    HZ2  LYS  61           1HZ      LYS  61  15.087  -7.806  -2.789
  465    HZ3  LYS  61           2HZ      LYS  61  16.715  -7.796  -2.563
  466    H    LYS  62           H        LYS  62  14.627  -2.648  -5.687
  467    HA   LYS  62           HA       LYS  62  15.667  -1.816  -7.510
  468    HB2  LYS  62           1HB      LYS  62  17.179  -3.681  -6.725
  469    HB3  LYS  62           2HB      LYS  62  16.579  -4.654  -8.075
  470    HG2  LYS  62           1HG      LYS  62  17.433  -2.887  -9.653
  471    HG3  LYS  62           2HG      LYS  62  17.990  -1.947  -8.259
  472    HD2  LYS  62           1HD      LYS  62  19.522  -3.805  -7.621
  473    HD3  LYS  62           2HD      LYS  62  18.906  -4.770  -8.968
  474    HE2  LYS  62           1HE      LYS  62  20.995  -3.872  -9.670
  475    HE3  LYS  62           2HE      LYS  62  19.728  -3.038 -10.573
  476    HZ1  LYS  62           3HZ      LYS  62  19.978  -1.153  -9.039
  477    HZ2  LYS  62           1HZ      LYS  62  21.418  -1.501  -9.719
  478    HZ3  LYS  62           2HZ      LYS  62  21.124  -1.946  -8.180
  479    H    ILE  63           H        ILE  63  13.199  -1.760  -8.035
  480    HA   ILE  63           HA       ILE  63  12.611  -3.017 -10.658
  481    HB   ILE  63           HB       ILE  63  11.106  -3.346  -8.693
  482   HG12  ILE  63          1HG1      ILE  63   9.750  -2.080 -11.097
  483   HG13  ILE  63          2HG1      ILE  63  10.460  -3.698 -11.088
  484   HG21  ILE  63          1HG2      ILE  63  10.184  -0.489  -9.232
  485   HG22  ILE  63          2HG2      ILE  63   9.559  -1.613  -8.007
  486   HG23  ILE  63          3HG2      ILE  63  11.189  -0.968  -7.846
  487   HD11  ILE  63          3HD1      ILE  63   8.901  -4.359  -9.259
  488   HD12  ILE  63          1HD1      ILE  63   8.126  -2.758  -9.368
  489   HD13  ILE  63          2HD1      ILE  63   8.071  -3.867 -10.746
  490    H    LYS  64           H        LYS  64  12.009  -1.894 -12.475
  491    HA   LYS  64           HA       LYS  64  12.651   1.003 -12.626
  492    HB2  LYS  64           1HB      LYS  64  12.528   0.765 -15.013
  493    HB3  LYS  64           2HB      LYS  64  13.598  -0.461 -14.332
  494    HG2  LYS  64           1HG      LYS  64  11.759  -2.153 -14.535
  495    HG3  LYS  64           2HG      LYS  64  10.723  -0.910 -15.263
  496    HD2  LYS  64           1HD      LYS  64  12.341  -0.642 -17.122
  497    HD3  LYS  64           2HD      LYS  64  13.390  -1.876 -16.388
  498    HE2  LYS  64           1HE      LYS  64  11.540  -3.537 -16.567
  499    HE3  LYS  64           2HE      LYS  64  10.513  -2.311 -17.321
  500    HZ1  LYS  64           3HZ      LYS  64  12.122  -2.192 -19.154
  501    HZ2  LYS  64           1HZ      LYS  64  11.577  -3.721 -18.986
  502    HZ3  LYS  64           2HZ      LYS  64  13.069  -3.327 -18.455
  503    H    GLN  65           H        GLN  65  11.239   2.539 -13.513
  504    HA   GLN  65           HA       GLN  65   8.313   1.993 -13.216
  505    HB2  GLN  65           1HB      GLN  65   9.934   4.230 -11.911
  506    HB3  GLN  65           2HB      GLN  65   8.178   4.133 -11.919
  507    HG2  GLN  65           1HG      GLN  65   9.969   2.057 -10.607
  508    HG3  GLN  65           2HG      GLN  65   9.223   3.419  -9.795
  509   HE21  GLN  65          1HE2      GLN  65   8.530   1.161  -8.627
  510   HE22  GLN  65          2HE2      GLN  65   6.909   0.674  -9.107
  511    H    HIS  66           H        HIS  66   6.971   3.873 -13.973
  512    HA   HIS  66           HA       HIS  66   8.333   5.745 -15.763
  513    HB2  HIS  66           1HB      HIS  66   6.955   5.419 -17.660
  514    HB3  HIS  66           2HB      HIS  66   7.636   3.855 -17.243
  515    HD1  HIS  66           1HD      HIS  66   5.826   2.030 -16.206
  516    HD2  HIS  66           2HD      HIS  66   4.313   5.698 -17.612
  517    HE1  HIS  66           1HE      HIS  66   3.302   1.731 -16.415
  518    H    CYS  67           H        CYS  67   7.304   7.665 -16.106
  519    HA   CYS  67           HA       CYS  67   5.275   8.553 -14.179
  520    HB2  CYS  67           1HB      CYS  67   7.229   9.919 -14.867
  521    HB3  CYS  67           2HB      CYS  67   6.688   9.844 -16.549
  522    H    ARG  68           H        ARG  68   3.094   8.295 -14.572
  523    HA   ARG  68           HA       ARG  68   2.165   7.415 -17.191
  524    HB2  ARG  68           1HB      ARG  68  -0.005   7.269 -16.324
  525    HB3  ARG  68           2HB      ARG  68   1.098   6.627 -15.131
  526    HG2  ARG  68           1HG      ARG  68  -0.285   9.353 -15.044
  527    HG3  ARG  68           2HG      ARG  68  -0.763   7.916 -14.157
  528    HD2  ARG  68           1HD      ARG  68   1.746   9.567 -13.718
  529    HD3  ARG  68           2HD      ARG  68   0.331   9.433 -12.677
  530    HE   ARG  68           HE       ARG  68   1.681   6.875 -13.201
  531   HH11  ARG  68          2HH1      ARG  68   1.413   9.530 -10.946
  532   HH12  ARG  68          1HH1      ARG  68   2.128   8.616  -9.644
  533   HH21  ARG  68          2HH2      ARG  68   2.671   5.797 -11.535
  534   HH22  ARG  68          1HH2      ARG  68   2.826   6.560  -9.982
  535    H    PHE  69           H        PHE  69   2.649  10.546 -15.879
  536    HA   PHE  69           HA       PHE  69   0.615  11.888 -17.471
  537    HB2  PHE  69           1HB      PHE  69   2.921  13.053 -15.894
  538    HB3  PHE  69           2HB      PHE  69   1.502  13.909 -16.455
  539    HD1  PHE  69           2HD      PHE  69  -0.840  12.786 -15.610
  540    HD2  PHE  69           1HD      PHE  69   2.979  12.451 -13.634
  541    HE1  PHE  69           2HE      PHE  69  -1.988  12.365 -13.448
  542    HE2  PHE  69           1HE      PHE  69   1.828  12.079 -11.469
  543    HZ   PHE  69           HZ       PHE  69  -0.660  12.029 -11.373
  544    H    CYS  70           H        CYS  70   4.147  11.468 -17.762
  545    HA   CYS  70           HA       CYS  70   4.023  12.638 -20.505
  546    HB2  CYS  70           1HB      CYS  70   6.147  13.685 -20.222
  547    HB3  CYS  70           2HB      CYS  70   4.995  14.271 -19.025
  548    H    LYS  71           H        LYS  71   4.480   9.801 -18.951
  549    HA   LYS  71           HA       LYS  71   5.339   7.786 -19.456
  550    HB2  LYS  71           1HB      LYS  71   4.755   8.779 -22.239
  551    HB3  LYS  71           2HB      LYS  71   5.063   7.086 -21.797
  552    HG2  LYS  71           1HG      LYS  71   3.213   7.125 -20.165
  553    HG3  LYS  71           2HG      LYS  71   2.885   8.826 -20.531
  554    HD2  LYS  71           1HD      LYS  71   2.237   8.263 -22.819
  555    HD3  LYS  71           2HD      LYS  71   2.675   6.572 -22.533
  556    HE2  LYS  71           1HE      LYS  71   0.261   6.822 -22.367
  557    HE3  LYS  71           2HE      LYS  71   0.934   6.363 -20.803
  558    HZ1  LYS  71           3HZ      LYS  71  -0.743   8.154 -20.664
  559    HZ2  LYS  71           1HZ      LYS  71   0.197   9.149 -21.547
  560    HZ3  LYS  71           2HZ      LYS  71   0.677   8.657 -20.054
  561    H    LYS  72           H        LYS  72   7.228   9.779 -18.928
  562    HA   LYS  72           HA       LYS  72   9.760   8.945 -20.134
  563    HB2  LYS  72           1HB      LYS  72   9.198  11.232 -19.070
  564    HB3  LYS  72           2HB      LYS  72   9.239  10.429 -17.518
  565    HG2  LYS  72           1HG      LYS  72  11.589   9.824 -17.819
  566    HG3  LYS  72           2HG      LYS  72  11.575  10.416 -19.492
  567    HD2  LYS  72           1HD      LYS  72  11.254  12.711 -18.757
  568    HD3  LYS  72           2HD      LYS  72  11.017  12.199 -17.079
  569    HE2  LYS  72           1HE      LYS  72  13.349  11.203 -17.130
  570    HE3  LYS  72           2HE      LYS  72  13.574  11.937 -18.727
  571    HZ1  LYS  72           3HZ      LYS  72  14.439  13.364 -16.960
  572    HZ2  LYS  72           1HZ      LYS  72  12.987  13.396 -16.209
  573    HZ3  LYS  72           2HZ      LYS  72  13.176  14.117 -17.673
  574    H    LYS  73           H        LYS  73  11.155   7.385 -19.349
  575    HA   LYS  73           HA       LYS  73  10.177   5.584 -17.184
  576    HB2  LYS  73           1HB      LYS  73  12.269   5.235 -19.344
  577    HB3  LYS  73           2HB      LYS  73  12.094   4.111 -17.987
  578    HG2  LYS  73           1HG      LYS  73   9.747   3.692 -18.552
  579    HG3  LYS  73           2HG      LYS  73   9.833   4.816 -19.903
  580    HD2  LYS  73           1HD      LYS  73  11.449   2.246 -19.595
  581    HD3  LYS  73           2HD      LYS  73  10.003   2.409 -20.584
  582    HE2  LYS  73           1HE      LYS  73  12.595   3.966 -21.028
  583    HE3  LYS  73           2HE      LYS  73  12.173   2.466 -21.853
  584    HZ1  LYS  73           3HZ      LYS  73  11.587   4.379 -23.205
  585    HZ2  LYS  73           1HZ      LYS  73  10.609   4.986 -22.051
  586    HZ3  LYS  73           2HZ      LYS  73  10.228   3.580 -22.795
  587    H    TYR  74           H        TYR  74  11.339   4.960 -15.469
  588    HA   TYR  74           HA       TYR  74  13.615   6.676 -14.577
  589    HB2  TYR  74           1HB      TYR  74  10.882   6.338 -13.320
  590    HB3  TYR  74           2HB      TYR  74  12.286   6.577 -12.299
  591    HD1  TYR  74           1HD      TYR  74  10.334   8.158 -15.084
  592    HD2  TYR  74           2HD      TYR  74  13.313   8.681 -12.007
  593    HE1  TYR  74           1HE      TYR  74  10.458  10.587 -15.624
  594    HE2  TYR  74           2HE      TYR  74  13.430  11.111 -12.538
  595    HH   TYR  74           HH       TYR  74  12.756  12.764 -13.902
  596    H    SER  75           H        SER  75  15.210   5.626 -13.611
  597    HA   SER  75           HA       SER  75  15.079   2.737 -13.145
  598    HB2  SER  75           1HB      SER  75  17.501   3.029 -12.645
  599    HB3  SER  75           2HB      SER  75  17.019   3.641 -14.236
  600    HG   SER  75           HG       SER  75  18.380   5.118 -13.098
  601    H    ASP  76           H        ASP  76  14.294   5.394 -11.260
  602    HA   ASP  76           HA       ASP  76  14.400   3.822  -8.740
  603    HB2  ASP  76           1HB      ASP  76  16.339   5.338  -8.619
  604    HB3  ASP  76           2HB      ASP  76  15.356   6.679  -9.159
  605    H    VAL  77           H        VAL  77  12.495   3.890  -7.685
  606    HA   VAL  77           HA       VAL  77  10.249   5.422  -8.683
  607    HB   VAL  77           HB       VAL  77  10.113   3.202  -7.520
  608   HG11  VAL  77          1HG1      VAL  77  10.360   4.777  -4.927
  609   HG12  VAL  77          2HG1      VAL  77  10.000   3.061  -5.116
  610   HG13  VAL  77          3HG1      VAL  77  11.599   3.668  -5.571
  611   HG21  VAL  77          3HG2      VAL  77   7.980   3.667  -6.440
  612   HG22  VAL  77          1HG2      VAL  77   8.370   5.395  -6.329
  613   HG23  VAL  77          2HG2      VAL  77   8.130   4.634  -7.917
  614    H    LYS  78           H        LYS  78  12.598   6.008  -6.012
  615    HA   LYS  78           HA       LYS  78  11.025   8.154  -4.865
  616    HB2  LYS  78           1HB      LYS  78  14.006   7.613  -4.590
  617    HB3  LYS  78           2HB      LYS  78  13.065   8.758  -3.638
  618    HG2  LYS  78           1HG      LYS  78  11.643   6.900  -2.798
  619    HG3  LYS  78           2HG      LYS  78  12.615   5.740  -3.726
  620    HD2  LYS  78           1HD      LYS  78  14.640   6.414  -2.460
  621    HD3  LYS  78           2HD      LYS  78  13.664   7.562  -1.516
  622    HE2  LYS  78           1HE      LYS  78  12.248   5.684  -0.705
  623    HE3  LYS  78           2HE      LYS  78  13.221   4.543  -1.643
  624    HZ1  LYS  78           3HZ      LYS  78  14.249   6.231   0.580
  625    HZ2  LYS  78           1HZ      LYS  78  15.149   5.177  -0.288
  626    HZ3  LYS  78           2HZ      LYS  78  13.949   4.629   0.672
  627    H    ASN  79           H        ASN  79  13.648   8.214  -7.331
  628    HA   ASN  79           HA       ASN  79  13.388  11.073  -7.685
  629    HB2  ASN  79           1HB      ASN  79  14.649   8.852  -9.320
  630    HB3  ASN  79           2HB      ASN  79  14.466  10.459 -10.005
  631   HD21  ASN  79          1HD2      ASN  79  15.965   8.736  -7.230
  632   HD22  ASN  79          2HD2      ASN  79  17.230   9.950  -7.039
  633    H    LEU  80           H        LEU  80  11.472   8.396  -9.051
  634    HA   LEU  80           HA       LEU  80  10.085   9.991 -10.981
  635    HB2  LEU  80           1HB      LEU  80   9.946   7.527 -10.922
  636    HB3  LEU  80           2HB      LEU  80   9.102   7.620  -9.365
  637    HG   LEU  80           HG       LEU  80   7.196   8.743 -10.361
  638   HD11  LEU  80          1HD1      LEU  80   8.656   8.403 -13.010
  639   HD12  LEU  80          2HD1      LEU  80   8.292   9.956 -12.221
  640   HD13  LEU  80          3HD1      LEU  80   6.972   8.941 -12.789
  641   HD21  LEU  80          3HD2      LEU  80   7.323   6.252 -10.325
  642   HD22  LEU  80          1HD2      LEU  80   7.969   6.310 -11.987
  643   HD23  LEU  80          2HD2      LEU  80   6.327   6.891 -11.647
  644    H    ILE  81           H        ILE  81   9.424   9.401  -7.473
  645    HA   ILE  81           HA       ILE  81   7.048  10.964  -7.335
  646    HB   ILE  81           HB       ILE  81   9.086  10.783  -5.097
  647   HG12  ILE  81          1HG1      ILE  81   8.861   8.562  -5.678
  648   HG13  ILE  81          2HG1      ILE  81   7.884   8.808  -4.287
  649   HG21  ILE  81          1HG2      ILE  81   7.064  10.948  -3.670
  650   HG22  ILE  81          2HG2      ILE  81   7.267  12.361  -4.711
  651   HG23  ILE  81          3HG2      ILE  81   6.063  11.127  -5.130
  652   HD11  ILE  81          3HD1      ILE  81   6.719   7.328  -5.827
  653   HD12  ILE  81          1HD1      ILE  81   5.823   8.853  -5.711
  654   HD13  ILE  81          2HD1      ILE  81   6.838   8.517  -7.133
  655    H    LYS  82           H        LYS  82  10.452  11.923  -6.836
  656    HA   LYS  82           HA       LYS  82   9.966  14.705  -6.334
  657    HB2  LYS  82           1HB      LYS  82  12.116  13.519  -5.894
  658    HB3  LYS  82           2HB      LYS  82  12.349  13.300  -7.630
  659    HG2  LYS  82           1HG      LYS  82  12.539  15.755  -7.930
  660    HG3  LYS  82           2HG      LYS  82  12.227  15.993  -6.204
  661    HD2  LYS  82           1HD      LYS  82  14.615  16.190  -6.679
  662    HD3  LYS  82           2HD      LYS  82  14.312  14.779  -5.652
  663    HE2  LYS  82           1HE      LYS  82  14.427  13.303  -7.655
  664    HE3  LYS  82           2HE      LYS  82  14.716  14.709  -8.684
  665    HZ1  LYS  82           3HZ      LYS  82  16.514  13.889  -6.465
  666    HZ2  LYS  82           1HZ      LYS  82  16.821  15.043  -7.585
  667    HZ3  LYS  82           2HZ      LYS  82  16.734  13.460  -8.022
  668    H    HIS  83           H        HIS  83  10.563  13.037  -9.464
  669    HA   HIS  83           HA       HIS  83  10.270  15.307 -11.172
  670    HB2  HIS  83           1HB      HIS  83  11.137  13.275 -12.057
  671    HB3  HIS  83           2HB      HIS  83   9.758  12.334 -11.514
  672    HD1  HIS  83           1HD      HIS  83  10.582  14.949 -14.226
  673    HD2  HIS  83           2HD      HIS  83   7.661  12.155 -13.076
  674    HE1  HIS  83           1HE      HIS  83   8.964  14.812 -16.173
  675    H    ILE  84           H        ILE  84   7.708  13.095  -9.916
  676    HA   ILE  84           HA       ILE  84   5.545  14.482 -11.197
  677    HB   ILE  84           HB       ILE  84   5.738  12.674  -8.790
  678   HG12  ILE  84          1HG1      ILE  84   4.367  12.183 -11.462
  679   HG13  ILE  84          2HG1      ILE  84   6.085  11.872 -11.229
  680   HG21  ILE  84          1HG2      ILE  84   3.203  13.905  -9.960
  681   HG22  ILE  84          2HG2      ILE  84   3.224  12.529  -8.837
  682   HG23  ILE  84          3HG2      ILE  84   3.816  14.092  -8.301
  683   HD11  ILE  84          3HD1      ILE  84   4.889   9.812 -10.908
  684   HD12  ILE  84          1HD1      ILE  84   5.578  10.338  -9.353
  685   HD13  ILE  84          2HD1      ILE  84   3.843  10.543  -9.674
  686    H    ARG  85           H        ARG  85   6.938  14.917  -7.922
  687    HA   ARG  85           HA       ARG  85   5.236  17.097  -7.157
  688    HB2  ARG  85           1HB      ARG  85   8.046  16.313  -6.282
  689    HB3  ARG  85           2HB      ARG  85   7.123  17.622  -5.535
  690    HG2  ARG  85           1HG      ARG  85   5.299  16.075  -4.973
  691    HG3  ARG  85           2HG      ARG  85   6.175  14.718  -5.666
  692    HD2  ARG  85           1HD      ARG  85   7.171  16.452  -3.376
  693    HD3  ARG  85           2HD      ARG  85   6.325  14.901  -3.182
  694    HE   ARG  85           HE       ARG  85   8.461  14.347  -4.875
  695   HH11  ARG  85          2HH1      ARG  85   8.182  15.505  -1.583
  696   HH12  ARG  85          1HH1      ARG  85   9.678  14.764  -1.087
  697   HH21  ARG  85          2HH2      ARG  85  10.379  13.393  -4.157
  698   HH22  ARG  85          1HH2      ARG  85  10.877  13.618  -2.511
  699    H    ASP  86           H        ASP  86   8.128  17.171  -9.147
  700    HA   ASP  86           HA       ASP  86   8.246  20.121  -9.113
  701    HB2  ASP  86           1HB      ASP  86   9.889  17.985 -10.511
  702    HB3  ASP  86           2HB      ASP  86  10.127  19.710 -10.765
  703    H    ALA  87           H        ALA  87   7.494  17.621 -11.591
  704    HA   ALA  87           HA       ALA  87   6.882  19.739 -13.561
  705    HB1  ALA  87           1HB      ALA  87   7.144  16.721 -13.864
  706    HB2  ALA  87           2HB      ALA  87   7.033  17.913 -15.173
  707    HB3  ALA  87           3HB      ALA  87   8.451  17.903 -14.104
  708    H    HIS  88           H        HIS  88   5.134  17.347 -11.651
  709    HA   HIS  88           HA       HIS  88   2.582  17.991 -13.059
  710    HB2  HIS  88           1HB      HIS  88   3.413  15.303 -11.931
  711    HB3  HIS  88           2HB      HIS  88   1.991  15.673 -12.890
  712    HD1  HIS  88           1HD      HIS  88   2.959  16.840 -15.505
  713    HD2  HIS  88           2HD      HIS  88   5.165  14.045 -13.278
  714    HE1  HIS  88           1HE      HIS  88   4.567  15.763 -17.154
  715    H    ASP  89           H        ASP  89   3.715  19.156 -10.619
  716    HA   ASP  89           HA       ASP  89   3.280  18.360  -8.216
  717    HB2  ASP  89           1HB      ASP  89   2.894  20.590  -7.434
  718    HB3  ASP  89           2HB      ASP  89   4.080  20.548  -8.725
  719    HA   PRO  90           HA       PRO  90  -1.045  17.216  -8.063
  720    HB2  PRO  90           1HB      PRO  90  -1.016  15.403  -6.091
  721    HB3  PRO  90           2HB      PRO  90  -0.145  15.158  -7.634
  722    HG2  PRO  90           1HG      PRO  90   1.011  16.188  -5.013
  723    HG3  PRO  90           2HG      PRO  90   1.629  14.849  -6.035
  724    HD2  PRO  90           1HD      PRO  90   2.586  17.412  -6.229
  725    HD3  PRO  90           2HD      PRO  90   2.455  16.332  -7.650
  726    H    GLN  91           H        GLN  91  -1.014  19.610  -7.376
  727    HA   GLN  91           HA       GLN  91  -1.948  20.105  -4.602
  728    HB2  GLN  91           1HB      GLN  91  -1.488  22.004  -6.931
  729    HB3  GLN  91           2HB      GLN  91  -1.995  22.479  -5.302
  730    HG2  GLN  91           1HG      GLN  91   0.093  21.429  -4.379
  731    HG3  GLN  91           2HG      GLN  91   0.635  21.115  -6.028
  732   HE21  GLN  91          2HE2      GLN  91   2.455  22.509  -4.814
  733   HE22  GLN  91          1HE2      GLN  91   2.334  24.234  -5.129
  734    H    ASP  92           H        ASP  92  -3.423  19.233  -7.491
  735    HA   ASP  92           HA       ASP  92  -5.510  19.245  -8.375
  736    HB2  ASP  92           1HB      ASP  92  -5.653  17.606  -6.583
  737    HB3  ASP  92           2HB      ASP  92  -6.228  18.834  -5.463
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1 -37.990 -14.325 -15.491
    2    H2   GLY   1           2H       GLY   1 -39.542 -14.851 -15.544
    3    H3   GLY   1           3H       GLY   1 -38.341 -15.769 -16.177
    4    HA2  GLY   1           1HA      GLY   1 -38.673 -15.116 -13.321
    5    HA3  GLY   1           2HA      GLY   1 -39.050 -16.679 -14.066
    6    H    SER   2           H        SER   2 -37.476 -17.117 -12.144
    7    HA   SER   2           HA       SER   2 -34.825 -17.724 -13.290
    8    HB2  SER   2           1HB      SER   2 -34.480 -15.528 -12.240
    9    HB3  SER   2           2HB      SER   2 -35.157 -16.132 -10.715
   10    HG   SER   2           HG       SER   2 -32.802 -16.152 -10.883
   11    H    SER   3           H        SER   3 -33.788 -19.450 -12.299
   12    HA   SER   3           HA       SER   3 -35.369 -21.303 -10.672
   13    HB2  SER   3           1HB      SER   3 -32.443 -21.424 -11.499
   14    HB3  SER   3           2HB      SER   3 -33.409 -22.757 -10.849
   15    HG   SER   3           HG       SER   3 -34.724 -22.654 -12.710
   16    H    GLY   4           H        GLY   4 -33.342 -18.640  -9.915
   17    HA2  GLY   4           1HA      GLY   4 -32.645 -17.781  -7.882
   18    HA3  GLY   4           2HA      GLY   4 -33.433 -19.120  -7.054
   19    H    SER   5           H        SER   5 -31.458 -18.787  -5.695
   20    HA   SER   5           HA       SER   5 -28.857 -19.682  -6.654
   21    HB2  SER   5           1HB      SER   5 -29.110 -18.055  -4.805
   22    HB3  SER   5           2HB      SER   5 -29.892 -19.305  -3.820
   23    HG   SER   5           HG       SER   5 -27.203 -19.165  -4.722
   24    H    SER   6           H        SER   6 -27.781 -21.600  -6.240
   25    HA   SER   6           HA       SER   6 -29.255 -24.054  -5.738
   26    HB2  SER   6           1HB      SER   6 -26.256 -23.535  -5.743
   27    HB3  SER   6           2HB      SER   6 -27.051 -25.118  -5.816
   28    HG   SER   6           HG       SER   6 -26.436 -24.361  -7.898
   29    H    GLY   7           H        GLY   7 -27.834 -21.676  -3.659
   30    HA2  GLY   7           1HA      GLY   7 -28.825 -22.172  -1.298
   31    HA3  GLY   7           2HA      GLY   7 -27.656 -23.492  -1.295
   32    H    LYS   8           H        LYS   8 -27.936 -21.010   0.337
   33    HA   LYS   8           HA       LYS   8 -26.718 -19.374   1.326
   34    HB2  LYS   8           1HB      LYS   8 -24.472 -21.318   0.773
   35    HB3  LYS   8           2HB      LYS   8 -24.404 -19.965   1.913
   36    HG2  LYS   8           1HG      LYS   8 -26.334 -20.901   3.164
   37    HG3  LYS   8           2HG      LYS   8 -26.341 -22.308   2.097
   38    HD2  LYS   8           1HD      LYS   8 -24.036 -21.468   3.909
   39    HD3  LYS   8           2HD      LYS   8 -25.215 -22.737   4.257
   40    HE2  LYS   8           1HE      LYS   8 -24.472 -23.973   2.216
   41    HE3  LYS   8           2HE      LYS   8 -23.245 -22.732   1.924
   42    HZ1  LYS   8           3HZ      LYS   8 -23.380 -24.466   4.335
   43    HZ2  LYS   8           1HZ      LYS   8 -22.253 -23.310   4.083
   44    HZ3  LYS   8           2HZ      LYS   8 -22.311 -24.625   3.116
   45    HA   PRO   9           HA       PRO   9 -25.465 -17.494  -2.785
   46    HB2  PRO   9           1HB      PRO   9 -27.179 -15.297  -2.613
   47    HB3  PRO   9           2HB      PRO   9 -27.564 -16.876  -3.336
   48    HG2  PRO   9           1HG      PRO   9 -28.265 -15.939  -0.581
   49    HG3  PRO   9           2HG      PRO   9 -29.309 -16.754  -1.783
   50    HD2  PRO   9           1HD      PRO   9 -28.106 -18.146   0.202
   51    HD3  PRO   9           2HD      PRO   9 -28.238 -18.830  -1.443
   52    H    TYR  10           H        TYR  10 -25.853 -16.005   0.426
   53    HA   TYR  10           HA       TYR  10 -24.265 -13.667  -0.271
   54    HB2  TYR  10           1HB      TYR  10 -25.340 -14.671   2.383
   55    HB3  TYR  10           2HB      TYR  10 -24.568 -13.112   2.123
   56    HD1  TYR  10           1HD      TYR  10 -27.565 -15.165   1.413
   57    HD2  TYR  10           2HD      TYR  10 -25.721 -11.301   0.931
   58    HE1  TYR  10           1HE      TYR  10 -29.763 -14.207   0.812
   59    HE2  TYR  10           2HE      TYR  10 -27.934 -10.337   0.285
   60    HH   TYR  10           HH       TYR  10 -30.920 -12.315   0.188
   61    H    LYS  11           H        LYS  11 -22.148 -13.953  -0.643
   62    HA   LYS  11           HA       LYS  11 -20.525 -15.879   0.956
   63    HB2  LYS  11           1HB      LYS  11 -19.689 -14.365  -1.539
   64    HB3  LYS  11           2HB      LYS  11 -18.895 -15.751  -0.804
   65    HG2  LYS  11           1HG      LYS  11 -21.541 -15.726  -2.302
   66    HG3  LYS  11           2HG      LYS  11 -20.007 -16.404  -2.833
   67    HD2  LYS  11           1HD      LYS  11 -20.120 -18.094  -0.992
   68    HD3  LYS  11           2HD      LYS  11 -21.664 -17.397  -0.479
   69    HE2  LYS  11           1HE      LYS  11 -22.194 -19.328  -1.746
   70    HE3  LYS  11           2HE      LYS  11 -22.646 -17.918  -2.703
   71    HZ1  LYS  11           3HZ      LYS  11 -20.155 -19.508  -3.082
   72    HZ2  LYS  11           1HZ      LYS  11 -20.597 -18.227  -3.999
   73    HZ3  LYS  11           2HZ      LYS  11 -21.476 -19.598  -4.032
   74    H    CYS  12           H        CYS  12 -18.586 -15.347   1.962
   75    HA   CYS  12           HA       CYS  12 -18.221 -12.599   2.833
   76    HB2  CYS  12           1HB      CYS  12 -17.928 -14.447   4.322
   77    HB3  CYS  12           2HB      CYS  12 -16.665 -15.141   3.293
   78    HA   PRO  13           HA       PRO  13 -15.321 -11.743  -0.550
   79    HB2  PRO  13           1HB      PRO  13 -14.600  -9.205   0.129
   80    HB3  PRO  13           2HB      PRO  13 -16.229  -9.610  -0.491
   81    HG2  PRO  13           1HG      PRO  13 -15.368  -9.168   2.370
   82    HG3  PRO  13           2HG      PRO  13 -16.833  -8.564   1.542
   83    HD2  PRO  13           1HD      PRO  13 -16.747 -10.861   3.133
   84    HD3  PRO  13           2HD      PRO  13 -17.937 -10.595   1.828
   85    H    GLN  14           H        GLN  14 -14.590 -12.247   2.758
   86    HA   GLN  14           HA       GLN  14 -11.651 -11.872   2.343
   87    HB2  GLN  14           1HB      GLN  14 -13.158 -11.842   4.975
   88    HB3  GLN  14           2HB      GLN  14 -11.471 -11.431   4.667
   89    HG2  GLN  14           1HG      GLN  14 -12.537  -9.668   2.981
   90    HG3  GLN  14           2HG      GLN  14 -13.983  -9.910   3.961
   91   HE21  GLN  14          1HE2      GLN  14 -14.203  -8.273   5.471
   92   HE22  GLN  14          2HE2      GLN  14 -12.848  -7.506   6.282
   93    H    CYS  15           H        CYS  15 -14.072 -14.278   3.291
   94    HA   CYS  15           HA       CYS  15 -11.921 -16.305   3.106
   95    HB2  CYS  15           1HB      CYS  15 -12.451 -17.401   5.162
   96    HB3  CYS  15           2HB      CYS  15 -12.064 -15.721   5.499
   97    H    SER  16           H        SER  16 -13.194 -18.588   3.632
   98    HA   SER  16           HA       SER  16 -14.788 -18.975   1.234
   99    HB2  SER  16           1HB      SER  16 -14.673 -21.366   1.886
  100    HB3  SER  16           2HB      SER  16 -13.091 -20.576   1.819
  101    HG   SER  16           HG       SER  16 -13.350 -21.863   3.714
  102    H    TYR  17           H        TYR  17 -15.798 -17.842   4.160
  103    HA   TYR  17           HA       TYR  17 -18.051 -19.386   4.866
  104    HB2  TYR  17           1HB      TYR  17 -17.072 -17.697   6.292
  105    HB3  TYR  17           2HB      TYR  17 -17.446 -16.431   5.147
  106    HD1  TYR  17           1HD      TYR  17 -18.880 -18.894   7.554
  107    HD2  TYR  17           2HD      TYR  17 -19.689 -15.408   5.138
  108    HE1  TYR  17           1HE      TYR  17 -20.986 -18.487   8.827
  109    HE2  TYR  17           2HE      TYR  17 -21.760 -14.986   6.440
  110    HH   TYR  17           HH       TYR  17 -22.960 -15.560   8.306
  111    H    ALA  18           H        ALA  18 -20.199 -19.296   4.475
  112    HA   ALA  18           HA       ALA  18 -21.360 -17.342   2.656
  113    HB1  ALA  18           1HB      ALA  18 -20.621 -19.194   1.150
  114    HB2  ALA  18           2HB      ALA  18 -21.610 -20.331   2.091
  115    HB3  ALA  18           3HB      ALA  18 -22.384 -19.009   1.191
  116    H    SER  19           H        SER  19 -23.631 -17.121   2.904
  117    HA   SER  19           HA       SER  19 -25.091 -18.964   4.688
  118    HB2  SER  19           1HB      SER  19 -24.084 -17.092   6.119
  119    HB3  SER  19           2HB      SER  19 -25.191 -15.992   5.281
  120    HG   SER  19           HG       SER  19 -25.781 -18.261   6.907
  121    H    ALA  20           H        ALA  20 -27.443 -18.389   4.792
  122    HA   ALA  20           HA       ALA  20 -28.459 -17.705   2.106
  123    HB1  ALA  20           1HB      ALA  20 -29.838 -18.941   4.515
  124    HB2  ALA  20           2HB      ALA  20 -30.508 -18.798   2.877
  125    HB3  ALA  20           3HB      ALA  20 -29.103 -19.838   3.166
  126    H    ILE  21           H        ILE  21 -27.806 -15.870   4.757
  127    HA   ILE  21           HA       ILE  21 -30.101 -13.995   4.336
  128    HB   ILE  21           HB       ILE  21 -28.933 -14.938   6.978
  129   HG12  ILE  21          1HG1      ILE  21 -31.660 -15.462   5.709
  130   HG13  ILE  21          2HG1      ILE  21 -30.395 -16.653   6.008
  131   HG21  ILE  21          1HG2      ILE  21 -29.584 -12.572   7.088
  132   HG22  ILE  21          2HG2      ILE  21 -31.212 -12.974   6.489
  133   HG23  ILE  21          3HG2      ILE  21 -30.631 -13.548   8.074
  134   HD11  ILE  21          3HD1      ILE  21 -30.650 -16.252   8.477
  135   HD12  ILE  21          1HD1      ILE  21 -32.093 -15.273   8.102
  136   HD13  ILE  21          2HD1      ILE  21 -32.047 -16.984   7.664
  137    H    LYS  22           H        LYS  22 -29.538 -11.880   4.161
  138    HA   LYS  22           HA       LYS  22 -26.821 -11.053   3.915
  139    HB2  LYS  22           1HB      LYS  22 -28.740  -9.984   2.775
  140    HB3  LYS  22           2HB      LYS  22 -29.351  -9.394   4.313
  141    HG2  LYS  22           1HG      LYS  22 -28.214  -7.657   2.985
  142    HG3  LYS  22           2HG      LYS  22 -27.472  -7.885   4.570
  143    HD2  LYS  22           1HD      LYS  22 -25.575  -9.054   3.606
  144    HD3  LYS  22           2HD      LYS  22 -26.389  -9.195   2.045
  145    HE2  LYS  22           1HE      LYS  22 -24.638  -7.500   1.981
  146    HE3  LYS  22           2HE      LYS  22 -26.226  -6.807   1.649
  147    HZ1  LYS  22           3HZ      LYS  22 -24.821  -5.489   3.220
  148    HZ2  LYS  22           1HZ      LYS  22 -24.940  -6.688   4.334
  149    HZ3  LYS  22           2HZ      LYS  22 -26.273  -5.879   3.846
  150    H    ALA  23           H        ALA  23 -29.061 -10.649   6.672
  151    HA   ALA  23           HA       ALA  23 -27.327  -9.195   8.376
  152    HB1  ALA  23           1HB      ALA  23 -29.744  -9.529   8.768
  153    HB2  ALA  23           2HB      ALA  23 -29.450 -11.249   9.125
  154    HB3  ALA  23           3HB      ALA  23 -28.776  -9.993  10.178
  155    H    ASN  24           H        ASN  24 -27.436 -12.728   7.769
  156    HA   ASN  24           HA       ASN  24 -25.483 -13.375   9.824
  157    HB2  ASN  24           1HB      ASN  24 -26.468 -14.873   7.345
  158    HB3  ASN  24           2HB      ASN  24 -25.342 -15.541   8.502
  159   HD21  ASN  24          1HD2      ASN  24 -27.356 -17.046   8.109
  160   HD22  ASN  24          2HD2      ASN  24 -28.503 -16.980   9.452
  161    H    LEU  25           H        LEU  25 -25.194 -12.285   6.459
  162    HA   LEU  25           HA       LEU  25 -22.305 -12.753   6.422
  163    HB2  LEU  25           1HB      LEU  25 -23.550 -12.748   4.336
  164    HB3  LEU  25           2HB      LEU  25 -24.102 -11.095   4.621
  165    HG   LEU  25           HG       LEU  25 -21.786 -10.259   4.471
  166   HD11  LEU  25          1HD1      LEU  25 -21.026 -13.150   3.835
  167   HD12  LEU  25          2HD1      LEU  25 -20.493 -12.215   5.251
  168   HD13  LEU  25          3HD1      LEU  25 -19.984 -11.720   3.645
  169   HD21  LEU  25          3HD2      LEU  25 -22.493 -12.037   2.112
  170   HD22  LEU  25          1HD2      LEU  25 -21.474 -10.587   2.089
  171   HD23  LEU  25          2HD2      LEU  25 -23.204 -10.437   2.441
  172    H    ASN  26           H        ASN  26 -24.410  -9.866   6.987
  173    HA   ASN  26           HA       ASN  26 -22.398  -7.963   7.495
  174    HB2  ASN  26           1HB      ASN  26 -24.997  -8.334   9.069
  175    HB3  ASN  26           2HB      ASN  26 -24.033  -6.871   9.018
  176   HD21  ASN  26          1HD2      ASN  26 -26.683  -6.927   8.559
  177   HD22  ASN  26          2HD2      ASN  26 -26.983  -6.439   6.890
  178    H    VAL  27           H        VAL  27 -23.874 -10.260   9.831
  179    HA   VAL  27           HA       VAL  27 -22.375  -9.350  12.055
  180    HB   VAL  27           HB       VAL  27 -24.539 -10.847  11.827
  181   HG11  VAL  27          1HG1      VAL  27 -22.560 -13.016  12.532
  182   HG12  VAL  27          2HG1      VAL  27 -24.333 -13.105  12.528
  183   HG13  VAL  27          3HG1      VAL  27 -23.470 -12.888  11.006
  184   HG21  VAL  27          3HG2      VAL  27 -24.281 -11.336  14.237
  185   HG22  VAL  27          1HG2      VAL  27 -22.536 -10.971  14.090
  186   HG23  VAL  27          2HG2      VAL  27 -23.754  -9.696  13.809
  187    H    HIS  28           H        HIS  28 -21.743 -11.847   9.731
  188    HA   HIS  28           HA       HIS  28 -19.541 -13.092  10.992
  189    HB2  HIS  28           1HB      HIS  28 -20.811 -14.139   9.253
  190    HB3  HIS  28           2HB      HIS  28 -20.444 -12.871   8.095
  191    HD1  HIS  28           1HD      HIS  28 -18.685 -15.881   9.686
  192    HD2  HIS  28           2HD      HIS  28 -18.117 -12.844   6.842
  193    HE1  HIS  28           1HE      HIS  28 -16.461 -16.387   8.562
  194    H    LEU  29           H        LEU  29 -19.628 -10.333   8.703
  195    HA   LEU  29           HA       LEU  29 -16.834 -10.122   8.220
  196    HB2  LEU  29           1HB      LEU  29 -19.004  -8.000   8.278
  197    HB3  LEU  29           2HB      LEU  29 -17.401  -7.731   7.610
  198    HG   LEU  29           HG       LEU  29 -19.252  -9.885   6.538
  199   HD11  LEU  29          1HD1      LEU  29 -19.846  -8.311   4.748
  200   HD12  LEU  29          2HD1      LEU  29 -18.887  -7.033   5.535
  201   HD13  LEU  29          3HD1      LEU  29 -20.346  -7.677   6.322
  202   HD21  LEU  29          3HD2      LEU  29 -16.922 -10.196   5.894
  203   HD22  LEU  29          1HD2      LEU  29 -16.837  -8.504   5.329
  204   HD23  LEU  29          2HD2      LEU  29 -17.901  -9.672   4.522
  205    H    ARG  30           H        ARG  30 -18.607  -9.231  11.047
  206    HA   ARG  30           HA       ARG  30 -17.039  -7.166  12.171
  207    HB2  ARG  30           1HB      ARG  30 -18.561  -9.408  13.577
  208    HB3  ARG  30           2HB      ARG  30 -17.996  -7.934  14.347
  209    HG2  ARG  30           1HG      ARG  30 -19.416  -6.565  12.840
  210    HG3  ARG  30           2HG      ARG  30 -19.991  -8.038  12.054
  211    HD2  ARG  30           1HD      ARG  30 -21.676  -7.351  13.632
  212    HD3  ARG  30           2HD      ARG  30 -20.932  -8.837  14.205
  213    HE   ARG  30           HE       ARG  30 -20.065  -7.728  16.049
  214   HH11  ARG  30          2HH1      ARG  30 -21.303  -5.257  13.886
  215   HH12  ARG  30          1HH1      ARG  30 -21.139  -4.007  15.087
  216   HH21  ARG  30          2HH2      ARG  30 -19.879  -6.081  17.518
  217   HH22  ARG  30          1HH2      ARG  30 -20.354  -4.466  17.084
  218    H    LYS  31           H        LYS  31 -16.236 -10.541  11.957
  219    HA   LYS  31           HA       LYS  31 -14.111 -10.411  13.991
  220    HB2  LYS  31           1HB      LYS  31 -13.827 -12.681  13.681
  221    HB3  LYS  31           2HB      LYS  31 -15.553 -12.412  13.442
  222    HG2  LYS  31           1HG      LYS  31 -15.099 -12.490  10.918
  223    HG3  LYS  31           2HG      LYS  31 -13.432 -12.904  11.298
  224    HD2  LYS  31           1HD      LYS  31 -14.586 -14.943  10.811
  225    HD3  LYS  31           2HD      LYS  31 -14.206 -14.914  12.538
  226    HE2  LYS  31           1HE      LYS  31 -16.589 -14.077  12.942
  227    HE3  LYS  31           2HE      LYS  31 -16.907 -14.346  11.227
  228    HZ1  LYS  31           3HZ      LYS  31 -16.062 -16.425  13.191
  229    HZ2  LYS  31           1HZ      LYS  31 -16.332 -16.721  11.612
  230    HZ3  LYS  31           2HZ      LYS  31 -17.563 -16.267  12.591
  231    H    HIS  32           H        HIS  32 -14.250  -9.804  10.620
  232    HA   HIS  32           HA       HIS  32 -11.420 -10.368  10.104
  233    HB2  HIS  32           1HB      HIS  32 -13.651  -9.290   8.348
  234    HB3  HIS  32           2HB      HIS  32 -12.017  -9.645   7.794
  235    HD1  HIS  32           1HD      HIS  32 -11.399 -12.456   8.810
  236    HD2  HIS  32           2HD      HIS  32 -15.113 -11.176   7.319
  237    HE1  HIS  32           1HE      HIS  32 -12.547 -14.544   7.952
  238    H    THR  33           H        THR  33 -12.918  -7.600  11.392
  239    HA   THR  33           HA       THR  33 -11.398  -5.571  10.008
  240    HB   THR  33           HB       THR  33 -12.070  -4.130  12.004
  241    HG1  THR  33           1HG      THR  33 -12.455  -5.771  13.514
  242   HG21  THR  33          3HG2      THR  33 -13.284  -4.188   9.878
  243   HG22  THR  33          1HG2      THR  33 -14.396  -4.007  11.250
  244   HG23  THR  33          2HG2      THR  33 -14.237  -5.585  10.438
  245    H    GLY  34           H        GLY  34  -9.652  -4.366  10.606
  246    HA2  GLY  34           1HA      GLY  34  -8.057  -4.416  12.881
  247    HA3  GLY  34           2HA      GLY  34  -7.571  -5.826  11.930
  248    H    GLU  35           H        GLU  35  -5.511  -4.378  12.115
  249    HA   GLU  35           HA       GLU  35  -5.309  -2.163  10.199
  250    HB2  GLU  35           1HB      GLU  35  -3.273  -3.659  11.874
  251    HB3  GLU  35           2HB      GLU  35  -2.816  -2.442  10.669
  252    HG2  GLU  35           1HG      GLU  35  -4.099  -0.722  11.761
  253    HG3  GLU  35           2HG      GLU  35  -4.815  -1.881  12.869
  254    H    LYS  36           H        LYS  36  -4.951  -2.175   8.210
  255    HA   LYS  36           HA       LYS  36  -3.868  -4.619   6.852
  256    HB2  LYS  36           1HB      LYS  36  -6.032  -2.728   5.859
  257    HB3  LYS  36           2HB      LYS  36  -5.159  -3.895   4.849
  258    HG2  LYS  36           1HG      LYS  36  -5.840  -5.688   6.550
  259    HG3  LYS  36           2HG      LYS  36  -6.962  -4.506   7.226
  260    HD2  LYS  36           1HD      LYS  36  -8.192  -4.345   5.155
  261    HD3  LYS  36           2HD      LYS  36  -6.952  -5.256   4.264
  262    HE2  LYS  36           1HE      LYS  36  -7.393  -7.263   5.554
  263    HE3  LYS  36           2HE      LYS  36  -8.570  -6.407   6.570
  264    HZ1  LYS  36           3HZ      LYS  36  -9.903  -6.044   4.533
  265    HZ2  LYS  36           1HZ      LYS  36  -9.734  -7.632   4.859
  266    HZ3  LYS  36           2HZ      LYS  36  -8.852  -6.943   3.660
  267    H    PHE  37           H        PHE  37  -1.953  -4.339   6.372
  268    HA   PHE  37           HA       PHE  37  -0.775  -1.754   5.557
  269    HB2  PHE  37           1HB      PHE  37   0.457  -4.485   6.119
  270    HB3  PHE  37           2HB      PHE  37   1.339  -2.989   5.851
  271    HD1  PHE  37           2HD      PHE  37   0.841  -0.975   7.395
  272    HD2  PHE  37           1HD      PHE  37  -0.203  -5.047   8.344
  273    HE1  PHE  37           2HE      PHE  37   0.624  -0.362   9.789
  274    HE2  PHE  37           1HE      PHE  37  -0.386  -4.438  10.752
  275    HZ   PHE  37           HZ       PHE  37   0.059  -2.096  11.473
  276    H    ALA  38           H        ALA  38  -1.131  -1.234   3.486
  277    HA   ALA  38           HA       ALA  38  -1.352  -3.315   1.406
  278    HB1  ALA  38           1HB      ALA  38  -3.112  -1.566   1.644
  279    HB2  ALA  38           2HB      ALA  38  -1.891  -0.323   1.290
  280    HB3  ALA  38           3HB      ALA  38  -2.314  -1.525   0.057
  281    H    CYS  39           H        CYS  39  -0.124  -3.478  -0.454
  282    HA   CYS  39           HA       CYS  39   2.554  -2.377  -0.442
  283    HB2  CYS  39           1HB      CYS  39   1.959  -4.563  -1.221
  284    HB3  CYS  39           2HB      CYS  39   0.906  -3.896  -2.466
  285    H    ASP  40           H        ASP  40   3.449  -0.824  -1.594
  286    HA   ASP  40           HA       ASP  40   1.722   1.313  -2.669
  287    HB2  ASP  40           1HB      ASP  40   3.684   1.726  -1.132
  288    HB3  ASP  40           2HB      ASP  40   4.751   1.203  -2.435
  289    H    TYR  41           H        TYR  41   3.079  -1.508  -3.883
  290    HA   TYR  41           HA       TYR  41   3.538  -0.396  -6.632
  291    HB2  TYR  41           1HB      TYR  41   4.854  -2.759  -5.241
  292    HB3  TYR  41           2HB      TYR  41   5.127  -2.234  -6.885
  293    HD1  TYR  41           1HD      TYR  41   6.317  -0.026  -7.290
  294    HD2  TYR  41           2HD      TYR  41   5.690  -1.632  -3.349
  295    HE1  TYR  41           1HE      TYR  41   8.090   1.492  -6.404
  296    HE2  TYR  41           2HE      TYR  41   7.491  -0.130  -2.449
  297    HH   TYR  41           HH       TYR  41   9.060   1.465  -2.954
  298    H    CYS  42           H        CYS  42   1.888  -2.891  -4.790
  299    HA   CYS  42           HA       CYS  42   0.243  -3.376  -7.204
  300    HB2  CYS  42           1HB      CYS  42   0.200  -5.789  -6.974
  301    HB3  CYS  42           2HB      CYS  42   1.840  -5.209  -7.289
  302    H    SER  43           H        SER  43  -1.627  -5.003  -6.524
  303    HA   SER  43           HA       SER  43  -3.259  -3.635  -4.570
  304    HB2  SER  43           1HB      SER  43  -3.778  -6.264  -6.005
  305    HB3  SER  43           2HB      SER  43  -4.984  -5.228  -5.224
  306    HG   SER  43           HG       SER  43  -4.543  -3.617  -6.771
  307    H    PHE  44           H        PHE  44  -0.783  -5.700  -3.876
  308    HA   PHE  44           HA       PHE  44  -1.874  -7.646  -2.160
  309    HB2  PHE  44           1HB      PHE  44   0.352  -7.753  -2.929
  310    HB3  PHE  44           2HB      PHE  44   0.797  -6.241  -2.170
  311    HD1  PHE  44           2HD      PHE  44   0.182  -9.842  -1.623
  312    HD2  PHE  44           1HD      PHE  44   1.314  -6.116   0.231
  313    HE1  PHE  44           2HE      PHE  44   1.059 -11.080   0.348
  314    HE2  PHE  44           1HE      PHE  44   2.200  -7.357   2.186
  315    HZ   PHE  44           HZ       PHE  44   2.081  -9.836   2.246
  316    H    THR  45           H        THR  45  -2.183  -7.787  -0.001
  317    HA   THR  45           HA       THR  45  -1.758  -5.509   1.794
  318    HB   THR  45           HB       THR  45  -3.995  -5.816   2.839
  319    HG1  THR  45           1HG      THR  45  -4.579  -7.798   1.825
  320   HG21  THR  45          3HG2      THR  45  -5.211  -4.414   1.259
  321   HG22  THR  45          1HG2      THR  45  -4.028  -4.805  -0.016
  322   HG23  THR  45          2HG2      THR  45  -3.519  -3.913   1.441
  323    H    CYS  46           H        CYS  46  -1.536  -6.016   3.916
  324    HA   CYS  46           HA       CYS  46  -1.574  -8.891   4.732
  325    HB2  CYS  46           1HB      CYS  46   0.692  -8.143   3.869
  326    HB3  CYS  46           2HB      CYS  46   0.745  -6.971   5.200
  327    HG   CYS  46           HG       CYS  46   2.084  -8.645   6.302
  328    H    LEU  47           H        LEU  47  -1.748  -9.278   6.965
  329    HA   LEU  47           HA       LEU  47  -2.859  -7.103   8.625
  330    HB2  LEU  47           1HB      LEU  47  -2.528 -10.100   9.040
  331    HB3  LEU  47           2HB      LEU  47  -3.094  -9.019  10.291
  332    HG   LEU  47           HG       LEU  47  -4.949 -10.148   9.357
  333   HD11  LEU  47          1HD1      LEU  47  -5.084  -7.291   8.334
  334   HD12  LEU  47          2HD1      LEU  47  -5.264  -7.766  10.036
  335   HD13  LEU  47          3HD1      LEU  47  -6.433  -8.331   8.828
  336   HD21  LEU  47          3HD2      LEU  47  -5.726 -10.021   7.100
  337   HD22  LEU  47          1HD2      LEU  47  -4.054 -10.602   7.070
  338   HD23  LEU  47          2HD2      LEU  47  -4.427  -8.915   6.631
  339    H    SER  48           H        SER  48   0.240  -8.218   7.968
  340    HA   SER  48           HA       SER  48   1.343  -7.205  10.561
  341    HB2  SER  48           1HB      SER  48   2.328  -9.554   8.901
  342    HB3  SER  48           2HB      SER  48   3.146  -8.876  10.321
  343    HG   SER  48           HG       SER  48   1.829 -10.688  10.851
  344    H    LYS  49           H        LYS  49   2.643  -5.555  10.372
  345    HA   LYS  49           HA       LYS  49   3.243  -4.283   7.911
  346    HB2  LYS  49           1HB      LYS  49   2.920  -3.319  10.258
  347    HB3  LYS  49           2HB      LYS  49   4.588  -3.788  10.599
  348    HG2  LYS  49           1HG      LYS  49   5.275  -2.366   8.591
  349    HG3  LYS  49           2HG      LYS  49   3.595  -1.817   8.490
  350    HD2  LYS  49           1HD      LYS  49   5.429  -1.484  10.910
  351    HD3  LYS  49           2HD      LYS  49   5.110  -0.238   9.692
  352    HE2  LYS  49           1HE      LYS  49   2.716  -0.247  10.275
  353    HE3  LYS  49           2HE      LYS  49   2.995  -1.507  11.486
  354    HZ1  LYS  49           3HZ      LYS  49   2.956   0.698  12.501
  355    HZ2  LYS  49           1HZ      LYS  49   4.181   1.219  11.557
  356    HZ3  LYS  49           2HZ      LYS  49   4.444   0.055  12.674
  357    H    GLY  50           H        GLY  50   5.343  -6.310   9.954
  358    HA2  GLY  50           1HA      GLY  50   7.806  -5.879   8.563
  359    HA3  GLY  50           2HA      GLY  50   7.398  -7.291   9.546
  360    H    HIS  51           H        HIS  51   5.137  -8.194   7.928
  361    HA   HIS  51           HA       HIS  51   6.588  -9.566   5.815
  362    HB2  HIS  51           1HB      HIS  51   4.840 -10.657   7.142
  363    HB3  HIS  51           2HB      HIS  51   3.650  -9.523   6.503
  364    HD1  HIS  51           1HD      HIS  51   2.193 -11.060   4.957
  365    HD2  HIS  51           2HD      HIS  51   6.342 -11.573   4.508
  366    HE1  HIS  51           1HE      HIS  51   2.504 -12.679   3.011
  367    H    LEU  52           H        LEU  52   4.336  -6.753   5.874
  368    HA   LEU  52           HA       LEU  52   4.148  -6.477   3.028
  369    HB2  LEU  52           1HB      LEU  52   2.693  -5.154   4.474
  370    HB3  LEU  52           2HB      LEU  52   4.083  -4.404   5.258
  371    HG   LEU  52           HG       LEU  52   4.741  -3.328   3.100
  372   HD11  LEU  52          1HD1      LEU  52   3.156  -3.272   1.267
  373   HD12  LEU  52          2HD1      LEU  52   2.080  -4.422   2.089
  374   HD13  LEU  52          3HD1      LEU  52   3.689  -4.924   1.510
  375   HD21  LEU  52          3HD2      LEU  52   3.153  -1.601   3.093
  376   HD22  LEU  52          1HD2      LEU  52   3.297  -2.164   4.767
  377   HD23  LEU  52          2HD2      LEU  52   1.897  -2.639   3.765
  378    H    LYS  53           H        LYS  53   6.632  -5.298   5.354
  379    HA   LYS  53           HA       LYS  53   8.263  -3.947   3.420
  380    HB2  LYS  53           1HB      LYS  53   8.624  -3.545   5.730
  381    HB3  LYS  53           2HB      LYS  53   8.878  -5.251   6.093
  382    HG2  LYS  53           1HG      LYS  53  10.967  -5.306   4.881
  383    HG3  LYS  53           2HG      LYS  53  10.749  -3.657   4.291
  384    HD2  LYS  53           1HD      LYS  53  10.953  -4.434   7.237
  385    HD3  LYS  53           2HD      LYS  53  12.340  -3.946   6.246
  386    HE2  LYS  53           1HE      LYS  53  11.240  -1.752   5.797
  387    HE3  LYS  53           2HE      LYS  53   9.891  -2.222   6.838
  388    HZ1  LYS  53           3HZ      LYS  53  12.713  -1.939   7.731
  389    HZ2  LYS  53           1HZ      LYS  53  11.468  -2.378   8.696
  390    HZ3  LYS  53           2HZ      LYS  53  11.513  -0.881   8.046
  391    H    VAL  54           H        VAL  54   8.549  -7.328   4.622
  392    HA   VAL  54           HA       VAL  54  10.610  -8.055   2.817
  393    HB   VAL  54           HB       VAL  54   8.451  -9.753   4.154
  394   HG11  VAL  54          1HG1      VAL  54  10.966 -10.689   2.702
  395   HG12  VAL  54          2HG1      VAL  54   9.974 -11.701   3.780
  396   HG13  VAL  54          3HG1      VAL  54   9.283 -11.070   2.287
  397   HG21  VAL  54          3HG2      VAL  54  10.037  -8.580   5.664
  398   HG22  VAL  54          1HG2      VAL  54  10.250 -10.335   5.711
  399   HG23  VAL  54          2HG2      VAL  54  11.395  -9.320   4.793
  400    H    HIS  55           H        HIS  55   7.060  -8.206   2.307
  401    HA   HIS  55           HA       HIS  55   7.057  -9.444  -0.211
  402    HB2  HIS  55           1HB      HIS  55   4.973  -9.043   0.894
  403    HB3  HIS  55           2HB      HIS  55   5.279  -7.317   1.019
  404    HD1  HIS  55           1HD      HIS  55   4.189  -9.899  -1.601
  405    HD2  HIS  55           2HD      HIS  55   4.620  -5.755  -1.044
  406    HE1  HIS  55           1HE      HIS  55   3.166  -8.814  -3.650
  407    H    ILE  56           H        ILE  56   7.611  -5.965   0.521
  408    HA   ILE  56           HA       ILE  56   8.012  -5.294  -2.293
  409    HB   ILE  56           HB       ILE  56   8.660  -3.797   0.253
  410   HG12  ILE  56          1HG1      ILE  56   6.376  -3.322  -1.710
  411   HG13  ILE  56          2HG1      ILE  56   6.199  -4.296  -0.260
  412   HG21  ILE  56          1HG2      ILE  56   8.603  -2.789  -2.631
  413   HG22  ILE  56          2HG2      ILE  56   8.933  -1.807  -1.188
  414   HG23  ILE  56          3HG2      ILE  56  10.078  -3.054  -1.672
  415   HD11  ILE  56          3HD1      ILE  56   6.887  -1.345  -0.280
  416   HD12  ILE  56          1HD1      ILE  56   5.353  -2.104   0.188
  417   HD13  ILE  56          2HD1      ILE  56   6.806  -2.388   1.165
  418    H    GLU  57           H        GLU  57  10.200  -6.213   0.371
  419    HA   GLU  57           HA       GLU  57  12.633  -5.794  -1.138
  420    HB2  GLU  57           1HB      GLU  57  12.139  -7.609   1.255
  421    HB3  GLU  57           2HB      GLU  57  13.708  -7.169   0.582
  422    HG2  GLU  57           1HG      GLU  57  13.132  -4.757   0.996
  423    HG3  GLU  57           2HG      GLU  57  11.777  -5.294   1.959
  424    H    ARG  58           H        ARG  58  10.297  -8.223  -1.463
  425    HA   ARG  58           HA       ARG  58  12.244 -10.010  -2.912
  426    HB2  ARG  58           1HB      ARG  58  11.095 -11.906  -2.298
  427    HB3  ARG  58           2HB      ARG  58  11.049 -10.888  -0.875
  428    HG2  ARG  58           1HG      ARG  58   8.706 -10.181  -1.590
  429    HG3  ARG  58           2HG      ARG  58   8.785 -11.494  -2.785
  430    HD2  ARG  58           1HD      ARG  58   9.173 -13.111  -0.932
  431    HD3  ARG  58           2HD      ARG  58   9.092 -11.764   0.221
  432    HE   ARG  58           HE       ARG  58   6.758 -12.228  -1.563
  433   HH11  ARG  58          2HH1      ARG  58   7.996 -12.737   1.691
  434   HH12  ARG  58          1HH1      ARG  58   6.372 -12.747   2.361
  435   HH21  ARG  58          2HH2      ARG  58   4.736 -12.441  -0.568
  436   HH22  ARG  58          1HH2      ARG  58   4.677 -12.570   1.175
  437    H    VAL  59           H        VAL  59   9.007  -8.554  -3.231
  438    HA   VAL  59           HA       VAL  59   8.833  -9.668  -5.921
  439    HB   VAL  59           HB       VAL  59   6.798  -7.907  -4.510
  440   HG11  VAL  59          1HG1      VAL  59   6.497  -7.965  -6.968
  441   HG12  VAL  59          2HG1      VAL  59   6.543  -9.742  -6.933
  442   HG13  VAL  59          3HG1      VAL  59   5.215  -8.856  -6.149
  443   HG21  VAL  59          3HG2      VAL  59   7.011  -9.933  -3.213
  444   HG22  VAL  59          1HG2      VAL  59   5.562 -10.089  -4.194
  445   HG23  VAL  59          2HG2      VAL  59   7.042 -10.941  -4.683
  446    H    HIS  60           H        HIS  60   8.958  -6.416  -4.427
  447    HA   HIS  60           HA       HIS  60   9.300  -5.155  -7.090
  448    HB2  HIS  60           1HB      HIS  60   8.456  -3.865  -4.511
  449    HB3  HIS  60           2HB      HIS  60   8.341  -3.200  -6.139
  450    HD1  HIS  60           1HD      HIS  60   6.539  -4.745  -7.794
  451    HD2  HIS  60           2HD      HIS  60   6.368  -5.038  -3.604
  452    HE1  HIS  60           1HE      HIS  60   4.254  -5.729  -7.263
  453    H    LYS  61           H        LYS  61  11.532  -6.350  -5.465
  454    HA   LYS  61           HA       LYS  61  13.193  -4.182  -4.531
  455    HB2  LYS  61           1HB      LYS  61  13.258  -6.510  -3.777
  456    HB3  LYS  61           2HB      LYS  61  13.921  -7.040  -5.307
  457    HG2  LYS  61           1HG      LYS  61  15.291  -4.968  -3.525
  458    HG3  LYS  61           2HG      LYS  61  15.462  -6.690  -3.238
  459    HD2  LYS  61           1HD      LYS  61  16.420  -5.222  -5.721
  460    HD3  LYS  61           2HD      LYS  61  17.395  -5.860  -4.401
  461    HE2  LYS  61           1HE      LYS  61  16.500  -8.168  -4.951
  462    HE3  LYS  61           2HE      LYS  61  15.723  -7.466  -6.380
  463    HZ1  LYS  61           3HZ      LYS  61  17.934  -6.801  -7.172
  464    HZ2  LYS  61           1HZ      LYS  61  17.893  -8.412  -6.920
  465    HZ3  LYS  61           2HZ      LYS  61  18.649  -7.446  -5.848
  466    H    LYS  62           H        LYS  62  14.737  -3.022  -5.502
  467    HA   LYS  62           HA       LYS  62  15.643  -1.705  -7.098
  468    HB2  LYS  62           1HB      LYS  62  17.026  -3.731  -7.441
  469    HB3  LYS  62           2HB      LYS  62  15.963  -4.217  -8.769
  470    HG2  LYS  62           1HG      LYS  62  16.535  -2.079  -9.957
  471    HG3  LYS  62           2HG      LYS  62  17.597  -1.638  -8.608
  472    HD2  LYS  62           1HD      LYS  62  18.983  -3.651  -9.038
  473    HD3  LYS  62           2HD      LYS  62  17.899  -4.114 -10.370
  474    HE2  LYS  62           1HE      LYS  62  18.427  -1.978 -11.532
  475    HE3  LYS  62           2HE      LYS  62  19.516  -1.528 -10.212
  476    HZ1  LYS  62           3HZ      LYS  62  20.872  -3.484 -10.757
  477    HZ2  LYS  62           1HZ      LYS  62  20.732  -2.520 -12.066
  478    HZ3  LYS  62           2HZ      LYS  62  19.864  -3.897 -11.976
  479    H    ILE  63           H        ILE  63  13.600  -0.669  -7.175
  480    HA   ILE  63           HA       ILE  63  12.447  -0.571  -9.892
  481    HB   ILE  63           HB       ILE  63  11.103  -2.090  -8.324
  482   HG12  ILE  63          1HG1      ILE  63   9.611   0.250  -9.556
  483   HG13  ILE  63          2HG1      ILE  63  10.289  -1.112 -10.455
  484   HG21  ILE  63          1HG2      ILE  63  11.289  -0.579  -6.309
  485   HG22  ILE  63          2HG2      ILE  63  10.175   0.549  -7.112
  486   HG23  ILE  63          3HG2      ILE  63   9.643  -1.083  -6.678
  487   HD11  ILE  63          3HD1      ILE  63   8.834  -2.671  -9.145
  488   HD12  ILE  63          1HD1      ILE  63   8.094  -1.261  -8.349
  489   HD13  ILE  63          2HD1      ILE  63   7.919  -1.481 -10.096
  490    H    LYS  64           H        LYS  64  11.332   1.397 -10.366
  491    HA   LYS  64           HA       LYS  64  12.275   3.798  -8.883
  492    HB2  LYS  64           1HB      LYS  64  10.802   3.578 -11.542
  493    HB3  LYS  64           2HB      LYS  64  11.424   5.053 -10.799
  494    HG2  LYS  64           1HG      LYS  64  13.735   3.805 -10.788
  495    HG3  LYS  64           2HG      LYS  64  12.981   2.739 -11.982
  496    HD2  LYS  64           1HD      LYS  64  12.490   4.715 -13.425
  497    HD3  LYS  64           2HD      LYS  64  13.203   5.779 -12.195
  498    HE2  LYS  64           1HE      LYS  64  15.343   4.359 -12.423
  499    HE3  LYS  64           2HE      LYS  64  14.605   3.659 -13.872
  500    HZ1  LYS  64           3HZ      LYS  64  14.438   5.969 -14.746
  501    HZ2  LYS  64           1HZ      LYS  64  15.990   5.556 -14.446
  502    HZ3  LYS  64           2HZ      LYS  64  15.201   6.533 -13.403
  503    H    GLN  65           H        GLN  65  10.777   5.587  -8.607
  504    HA   GLN  65           HA       GLN  65   8.083   4.737  -7.576
  505    HB2  GLN  65           1HB      GLN  65  10.153   6.587  -6.283
  506    HB3  GLN  65           2HB      GLN  65   8.499   6.320  -5.725
  507    HG2  GLN  65           1HG      GLN  65   9.787   5.026  -4.326
  508    HG3  GLN  65           2HG      GLN  65   8.976   3.919  -5.439
  509   HE21  GLN  65          1HE2      GLN  65  10.478   2.245  -5.055
  510   HE22  GLN  65          2HE2      GLN  65  12.063   2.315  -5.851
  511    H    HIS  66           H        HIS  66   6.664   6.663  -7.068
  512    HA   HIS  66           HA       HIS  66   7.309   9.104  -8.571
  513    HB2  HIS  66           1HB      HIS  66   5.168   9.370  -9.543
  514    HB3  HIS  66           2HB      HIS  66   5.788   7.800 -10.032
  515    HD1  HIS  66           1HD      HIS  66   4.450   5.632  -9.020
  516    HD2  HIS  66           2HD      HIS  66   2.955   9.440  -8.027
  517    HE1  HIS  66           1HE      HIS  66   2.126   5.255  -8.043
  518    H    CYS  67           H        CYS  67   6.588  10.991  -7.702
  519    HA   CYS  67           HA       CYS  67   6.012  11.106  -4.874
  520    HB2  CYS  67           1HB      CYS  67   7.438  12.683  -6.094
  521    HB3  CYS  67           2HB      CYS  67   6.071  13.156  -7.116
  522    H    ARG  68           H        ARG  68   4.089  11.206  -3.845
  523    HA   ARG  68           HA       ARG  68   1.623  10.962  -5.380
  524    HB2  ARG  68           1HB      ARG  68   0.514  10.518  -3.365
  525    HB3  ARG  68           2HB      ARG  68   2.073   9.732  -3.288
  526    HG2  ARG  68           1HG      ARG  68   1.826  10.558  -1.159
  527    HG3  ARG  68           2HG      ARG  68   2.854  11.793  -1.884
  528    HD2  ARG  68           1HD      ARG  68   0.960  13.310  -2.112
  529    HD3  ARG  68           2HD      ARG  68  -0.192  12.037  -1.726
  530    HE   ARG  68           HE       ARG  68   1.479  13.597   0.112
  531   HH11  ARG  68          2HH1      ARG  68  -0.562  10.748  -0.104
  532   HH12  ARG  68          1HH1      ARG  68  -0.869  10.728   1.611
  533   HH21  ARG  68          2HH2      ARG  68   1.012  13.519   2.290
  534   HH22  ARG  68          1HH2      ARG  68   0.012  12.245   2.921
  535    H    PHE  69           H        PHE  69   3.346  13.681  -4.300
  536    HA   PHE  69           HA       PHE  69   0.979  15.441  -4.069
  537    HB2  PHE  69           1HB      PHE  69   3.927  16.024  -3.847
  538    HB3  PHE  69           2HB      PHE  69   2.637  17.150  -3.490
  539    HD1  PHE  69           1HD      PHE  69   4.528  14.213  -2.292
  540    HD2  PHE  69           2HD      PHE  69   1.333  16.975  -1.418
  541    HE1  PHE  69           1HE      PHE  69   4.645  13.591   0.105
  542    HE2  PHE  69           2HE      PHE  69   1.466  16.369   0.979
  543    HZ   PHE  69           HZ       PHE  69   3.154  14.700   1.757
  544    H    CYS  70           H        CYS  70   3.789  15.011  -6.262
  545    HA   CYS  70           HA       CYS  70   2.533  16.861  -8.234
  546    HB2  CYS  70           1HB      CYS  70   4.611  17.880  -8.718
  547    HB3  CYS  70           2HB      CYS  70   4.251  18.034  -7.001
  548    H    LYS  71           H        LYS  71   3.353  13.714  -7.885
  549    HA   LYS  71           HA       LYS  71   3.597  11.950  -9.270
  550    HB2  LYS  71           1HB      LYS  71   2.134  13.835 -11.127
  551    HB3  LYS  71           2HB      LYS  71   2.512  12.179 -11.559
  552    HG2  LYS  71           1HG      LYS  71   0.279  12.272 -10.770
  553    HG3  LYS  71           2HG      LYS  71   1.250  11.304  -9.666
  554    HD2  LYS  71           1HD      LYS  71   1.255  13.079  -8.006
  555    HD3  LYS  71           2HD      LYS  71   0.462  14.205  -9.119
  556    HE2  LYS  71           1HE      LYS  71  -0.737  11.582  -8.105
  557    HE3  LYS  71           2HE      LYS  71  -0.992  13.147  -7.330
  558    HZ1  LYS  71           3HZ      LYS  71  -1.816  12.483 -10.108
  559    HZ2  LYS  71           1HZ      LYS  71  -2.020  13.942  -9.393
  560    HZ3  LYS  71           2HZ      LYS  71  -2.812  12.635  -8.828
  561    H    LYS  72           H        LYS  72   5.803  14.030  -9.251
  562    HA   LYS  72           HA       LYS  72   7.396  13.532 -11.611
  563    HB2  LYS  72           1HB      LYS  72   7.654  15.400  -9.845
  564    HB3  LYS  72           2HB      LYS  72   8.339  14.187  -8.784
  565    HG2  LYS  72           1HG      LYS  72  10.174  13.759 -10.342
  566    HG3  LYS  72           2HG      LYS  72   9.436  14.802 -11.572
  567    HD2  LYS  72           1HD      LYS  72   9.780  16.784 -10.210
  568    HD3  LYS  72           2HD      LYS  72  10.315  15.810  -8.832
  569    HE2  LYS  72           1HE      LYS  72  12.197  14.925 -10.285
  570    HE3  LYS  72           2HE      LYS  72  11.722  16.099 -11.524
  571    HZ1  LYS  72           3HZ      LYS  72  13.490  16.971 -10.107
  572    HZ2  LYS  72           1HZ      LYS  72  12.595  16.740  -8.760
  573    HZ3  LYS  72           2HZ      LYS  72  12.143  17.865  -9.868
  574    H    LYS  73           H        LYS  73   8.746  11.816 -12.071
  575    HA   LYS  73           HA       LYS  73   8.651   9.459 -10.281
  576    HB2  LYS  73           1HB      LYS  73   9.502   9.833 -13.159
  577    HB3  LYS  73           2HB      LYS  73   9.912   8.369 -12.245
  578    HG2  LYS  73           1HG      LYS  73   7.566   7.945 -11.729
  579    HG3  LYS  73           2HG      LYS  73   7.077   9.430 -12.563
  580    HD2  LYS  73           1HD      LYS  73   7.902   8.527 -14.705
  581    HD3  LYS  73           2HD      LYS  73   8.496   7.065 -13.879
  582    HE2  LYS  73           1HE      LYS  73   6.194   6.535 -13.142
  583    HE3  LYS  73           2HE      LYS  73   5.587   7.991 -13.941
  584    HZ1  LYS  73           3HZ      LYS  73   6.884   5.703 -15.335
  585    HZ2  LYS  73           1HZ      LYS  73   6.324   7.052 -16.072
  586    HZ3  LYS  73           2HZ      LYS  73   5.285   6.027 -15.343
  587    H    TYR  74           H        TYR  74  10.322   8.419  -9.355
  588    HA   TYR  74           HA       TYR  74  12.959   9.839  -9.292
  589    HB2  TYR  74           1HB      TYR  74  11.113   9.118  -7.025
  590    HB3  TYR  74           2HB      TYR  74  12.852   9.043  -6.777
  591    HD1  TYR  74           1HD      TYR  74  10.082  11.385  -7.794
  592    HD2  TYR  74           2HD      TYR  74  14.190  10.968  -6.527
  593    HE1  TYR  74           1HE      TYR  74  10.318  13.860  -7.748
  594    HE2  TYR  74           2HE      TYR  74  14.427  13.443  -6.490
  595    HH   TYR  74           HH       TYR  74  13.458  15.428  -6.924
  596    H    SER  75           H        SER  75  14.681   8.645  -9.554
  597    HA   SER  75           HA       SER  75  14.447   5.836 -10.184
  598    HB2  SER  75           1HB      SER  75  16.878   7.642  -9.982
  599    HB3  SER  75           2HB      SER  75  16.857   6.021 -10.700
  600    HG   SER  75           HG       SER  75  16.566   7.998 -12.110
  601    H    ASP  76           H        ASP  76  15.267   7.506  -7.272
  602    HA   ASP  76           HA       ASP  76  15.884   4.945  -5.902
  603    HB2  ASP  76           1HB      ASP  76  17.527   7.505  -5.691
  604    HB3  ASP  76           2HB      ASP  76  17.603   6.184  -4.532
  605    H    VAL  77           H        VAL  77  14.665   4.734  -4.117
  606    HA   VAL  77           HA       VAL  77  12.645   6.604  -3.529
  607    HB   VAL  77           HB       VAL  77  12.559   4.163  -3.105
  608   HG11  VAL  77          1HG1      VAL  77  13.350   3.186  -1.044
  609   HG12  VAL  77          2HG1      VAL  77  14.732   3.863  -1.915
  610   HG13  VAL  77          3HG1      VAL  77  14.052   4.721  -0.510
  611   HG21  VAL  77          3HG2      VAL  77  11.104   4.288  -1.169
  612   HG22  VAL  77          1HG2      VAL  77  11.811   5.841  -0.681
  613   HG23  VAL  77          2HG2      VAL  77  10.869   5.724  -2.182
  614    H    LYS  78           H        LYS  78  15.804   6.244  -1.932
  615    HA   LYS  78           HA       LYS  78  15.321   7.925   0.325
  616    HB2  LYS  78           1HB      LYS  78  17.911   7.585  -1.255
  617    HB3  LYS  78           2HB      LYS  78  17.779   8.228   0.380
  618    HG2  LYS  78           1HG      LYS  78  17.143   5.370  -0.477
  619    HG3  LYS  78           2HG      LYS  78  18.574   5.928   0.385
  620    HD2  LYS  78           1HD      LYS  78  17.102   6.645   2.304
  621    HD3  LYS  78           2HD      LYS  78  15.708   6.003   1.429
  622    HE2  LYS  78           1HE      LYS  78  16.326   4.343   3.003
  623    HE3  LYS  78           2HE      LYS  78  16.776   3.742   1.406
  624    HZ1  LYS  78           3HZ      LYS  78  18.534   3.379   3.057
  625    HZ2  LYS  78           1HZ      LYS  78  18.654   4.975   3.362
  626    HZ3  LYS  78           2HZ      LYS  78  19.083   4.382   1.897
  627    H    ASN  79           H        ASN  79  16.118   8.837  -2.999
  628    HA   ASN  79           HA       ASN  79  16.269  11.680  -2.298
  629    HB2  ASN  79           1HB      ASN  79  16.387  10.154  -4.930
  630    HB3  ASN  79           2HB      ASN  79  16.363  11.913  -4.863
  631   HD21  ASN  79          1HD2      ASN  79  18.526  10.017  -5.775
  632   HD22  ASN  79          2HD2      ASN  79  19.921  10.537  -4.842
  633    H    LEU  80           H        LEU  80  13.700   9.489  -3.322
  634    HA   LEU  80           HA       LEU  80  11.794  11.555  -3.964
  635    HB2  LEU  80           1HB      LEU  80  11.438   9.180  -4.547
  636    HB3  LEU  80           2HB      LEU  80  11.364   8.771  -2.829
  637    HG   LEU  80           HG       LEU  80   9.343  10.093  -2.517
  638   HD11  LEU  80          1HD1      LEU  80   9.456  10.561  -5.525
  639   HD12  LEU  80          2HD1      LEU  80   9.653  11.817  -4.280
  640   HD13  LEU  80          3HD1      LEU  80   8.115  10.982  -4.441
  641   HD21  LEU  80          3HD2      LEU  80   7.833   8.642  -3.752
  642   HD22  LEU  80          1HD2      LEU  80   9.232   7.695  -3.207
  643   HD23  LEU  80          2HD2      LEU  80   9.129   8.243  -4.897
  644    H    ILE  81           H        ILE  81  12.629   9.868  -0.875
  645    HA   ILE  81           HA       ILE  81  10.787  11.265   0.781
  646    HB   ILE  81           HB       ILE  81  13.560  10.408   1.663
  647   HG12  ILE  81          1HG1      ILE  81  12.796   8.481   0.636
  648   HG13  ILE  81          2HG1      ILE  81  12.581   8.262   2.336
  649   HG21  ILE  81          1HG2      ILE  81  12.348  11.750   3.297
  650   HG22  ILE  81          2HG2      ILE  81  10.919  10.711   3.141
  651   HG23  ILE  81          3HG2      ILE  81  12.422  10.074   3.846
  652   HD11  ILE  81          3HD1      ILE  81  10.134   8.737   2.108
  653   HD12  ILE  81          1HD1      ILE  81  10.356   8.885   0.349
  654   HD13  ILE  81          2HD1      ILE  81  10.663   7.338   1.154
  655    H    LYS  82           H        LYS  82  14.151  12.056  -0.076
  656    HA   LYS  82           HA       LYS  82  14.363  14.510   1.381
  657    HB2  LYS  82           1HB      LYS  82  16.219  13.129   0.369
  658    HB3  LYS  82           2HB      LYS  82  15.683  13.621  -1.238
  659    HG2  LYS  82           1HG      LYS  82  16.186  16.015  -0.596
  660    HG3  LYS  82           2HG      LYS  82  16.914  15.405   0.899
  661    HD2  LYS  82           1HD      LYS  82  17.735  14.634  -1.945
  662    HD3  LYS  82           2HD      LYS  82  18.568  15.831  -0.948
  663    HE2  LYS  82           1HE      LYS  82  19.280  14.176   0.643
  664    HE3  LYS  82           2HE      LYS  82  18.228  12.938  -0.052
  665    HZ1  LYS  82           3HZ      LYS  82  20.493  14.150  -1.532
  666    HZ2  LYS  82           1HZ      LYS  82  19.552  12.893  -2.028
  667    HZ3  LYS  82           2HZ      LYS  82  20.562  12.712  -0.761
  668    H    HIS  83           H        HIS  83  13.315  13.970  -2.021
  669    HA   HIS  83           HA       HIS  83  12.644  16.682  -2.643
  670    HB2  HIS  83           1HB      HIS  83  12.779  15.085  -4.404
  671    HB3  HIS  83           2HB      HIS  83  11.681  13.967  -3.608
  672    HD1  HIS  83           1HD      HIS  83  11.507  17.354  -5.449
  673    HD2  HIS  83           2HD      HIS  83   9.114  14.195  -4.050
  674    HE1  HIS  83           1HE      HIS  83   9.187  17.786  -6.380
  675    H    ILE  84           H        ILE  84  10.593  14.127  -1.133
  676    HA   ILE  84           HA       ILE  84   8.277  15.780  -0.868
  677    HB   ILE  84           HB       ILE  84   9.275  13.329   0.584
  678   HG12  ILE  84          1HG1      ILE  84   6.845  13.680  -1.223
  679   HG13  ILE  84          2HG1      ILE  84   8.441  13.307  -1.861
  680   HG21  ILE  84          1HG2      ILE  84   6.997  13.143   1.623
  681   HG22  ILE  84          2HG2      ILE  84   7.952  14.473   2.254
  682   HG23  ILE  84          3HG2      ILE  84   6.654  14.799   1.073
  683   HD11  ILE  84          3HD1      ILE  84   6.852  11.565   0.050
  684   HD12  ILE  84          1HD1      ILE  84   7.252  11.245  -1.646
  685   HD13  ILE  84          2HD1      ILE  84   8.544  11.275  -0.420
  686    H    ARG  85           H        ARG  85  10.941  15.227   1.457
  687    HA   ARG  85           HA       ARG  85  10.043  17.117   3.436
  688    HB2  ARG  85           1HB      ARG  85  12.836  16.108   2.719
  689    HB3  ARG  85           2HB      ARG  85  12.483  17.118   4.125
  690    HG2  ARG  85           1HG      ARG  85  10.919  15.436   4.988
  691    HG3  ARG  85           2HG      ARG  85  11.240  14.369   3.631
  692    HD2  ARG  85           1HD      ARG  85  13.339  15.338   5.610
  693    HD3  ARG  85           2HD      ARG  85  12.460  13.803   5.743
  694    HE   ARG  85           HE       ARG  85  13.534  13.739   3.195
  695   HH11  ARG  85          2HH1      ARG  85  14.933  13.998   6.395
  696   HH12  ARG  85          1HH1      ARG  85  16.385  13.154   5.939
  697   HH21  ARG  85          2HH2      ARG  85  15.427  12.613   2.685
  698   HH22  ARG  85          1HH2      ARG  85  16.647  12.410   3.902
  699    H    ASP  86           H        ASP  86  12.097  17.712   0.576
  700    HA   ASP  86           HA       ASP  86  12.551  20.489   1.336
  701    HB2  ASP  86           1HB      ASP  86  13.119  18.900  -1.191
  702    HB3  ASP  86           2HB      ASP  86  13.500  20.608  -1.024
  703    H    ALA  87           H        ALA  87  10.354  18.938  -1.033
  704    HA   ALA  87           HA       ALA  87   9.426  21.599  -1.940
  705    HB1  ALA  87           1HB      ALA  87  10.223  19.900  -3.561
  706    HB2  ALA  87           2HB      ALA  87   8.895  18.823  -3.064
  707    HB3  ALA  87           3HB      ALA  87   8.536  20.376  -3.837
  708    H    HIS  88           H        HIS  88   8.107  18.770  -0.211
  709    HA   HIS  88           HA       HIS  88   5.444  20.100  -0.170
  710    HB2  HIS  88           1HB      HIS  88   6.028  17.124  -0.105
  711    HB3  HIS  88           2HB      HIS  88   4.463  17.893  -0.305
  712    HD1  HIS  88           1HD      HIS  88   4.680  19.691  -2.741
  713    HD2  HIS  88           2HD      HIS  88   6.785  16.083  -2.321
  714    HE1  HIS  88           1HE      HIS  88   5.255  18.945  -5.106
  715    H    ASP  89           H        ASP  89   7.822  19.379   1.772
  716    HA   ASP  89           HA       ASP  89   8.046  18.607   3.999
  717    HB2  ASP  89           1HB      ASP  89   8.131  20.523   5.302
  718    HB3  ASP  89           2HB      ASP  89   8.686  20.854   3.677
  719    HA   PRO  90           HA       PRO  90   3.741  17.317   5.101
  720    HB2  PRO  90           1HB      PRO  90   4.300  14.718   5.792
  721    HB3  PRO  90           2HB      PRO  90   4.040  15.263   4.106
  722    HG2  PRO  90           1HG      PRO  90   6.687  14.907   5.555
  723    HG3  PRO  90           2HG      PRO  90   6.210  14.268   3.950
  724    HD2  PRO  90           1HD      PRO  90   7.637  16.571   4.187
  725    HD3  PRO  90           2HD      PRO  90   6.340  16.434   2.960
  726    H    GLN  91           H        GLN  91   2.797  17.163   7.088
  727    HA   GLN  91           HA       GLN  91   4.542  17.767   9.424
  728    HB2  GLN  91           1HB      GLN  91   1.624  18.427   8.888
  729    HB3  GLN  91           2HB      GLN  91   2.550  18.934  10.299
  730    HG2  GLN  91           1HG      GLN  91   3.103  19.769   7.416
  731    HG3  GLN  91           2HG      GLN  91   2.351  20.750   8.659
  732   HE21  GLN  91          1HE2      GLN  91   5.291  20.268   7.112
  733   HE22  GLN  91          2HE2      GLN  91   6.322  20.898   8.392
  734    H    ASP  92           H        ASP  92   3.034  15.072   8.331
  735    HA   ASP  92           HA       ASP  92   2.754  13.876  11.026
  736    HB2  ASP  92           1HB      ASP  92   0.492  14.650  10.436
  737    HB3  ASP  92           2HB      ASP  92   0.576  13.791   8.903
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1 -11.009  24.185  30.659
    2    H2   GLY   1           2H       GLY   1 -12.011  24.683  31.855
    3    H3   GLY   1           3H       GLY   1 -11.130  25.779  31.016
    4    HA2  GLY   1           1HA      GLY   1 -13.426  25.835  30.288
    5    HA3  GLY   1           2HA      GLY   1 -12.331  25.320  28.992
    6    H    SER   2           H        SER   2 -15.287  24.717  29.941
    7    HA   SER   2           HA       SER   2 -15.387  21.900  30.478
    8    HB2  SER   2           1HB      SER   2 -17.566  23.749  29.443
    9    HB3  SER   2           2HB      SER   2 -17.799  22.143  30.163
   10    HG   SER   2           HG       SER   2 -18.095  23.837  31.695
   11    H    SER   3           H        SER   3 -15.823  20.147  29.211
   12    HA   SER   3           HA       SER   3 -14.766  19.923  26.685
   13    HB2  SER   3           1HB      SER   3 -17.004  18.220  27.851
   14    HB3  SER   3           2HB      SER   3 -15.844  17.720  26.608
   15    HG   SER   3           HG       SER   3 -15.513  17.238  29.032
   16    H    GLY   4           H        GLY   4 -18.157  20.701  27.409
   17    HA2  GLY   4           1HA      GLY   4 -19.139  20.354  24.692
   18    HA3  GLY   4           2HA      GLY   4 -19.988  21.089  26.053
   19    H    SER   5           H        SER   5 -17.247  22.838  26.057
   20    HA   SER   5           HA       SER   5 -18.332  24.932  24.194
   21    HB2  SER   5           1HB      SER   5 -17.191  25.290  26.986
   22    HB3  SER   5           2HB      SER   5 -17.769  26.578  25.911
   23    HG   SER   5           HG       SER   5 -19.373  25.961  27.422
   24    H    SER   6           H        SER   6 -15.330  23.583  25.641
   25    HA   SER   6           HA       SER   6 -13.736  24.835  23.498
   26    HB2  SER   6           1HB      SER   6 -14.030  26.568  25.339
   27    HB3  SER   6           2HB      SER   6 -13.118  25.485  26.406
   28    HG   SER   6           HG       SER   6 -11.817  27.093  25.328
   29    H    GLY   7           H        GLY   7 -11.453  24.272  23.620
   30    HA2  GLY   7           1HA      GLY   7  -9.598  23.007  24.060
   31    HA3  GLY   7           2HA      GLY   7 -10.421  22.328  25.454
   32    H    LYS   8           H        LYS   8  -8.814  20.725  24.449
   33    HA   LYS   8           HA       LYS   8  -8.300  18.749  23.471
   34    HB2  LYS   8           1HB      LYS   8 -11.191  18.255  24.174
   35    HB3  LYS   8           2HB      LYS   8 -10.060  16.981  23.692
   36    HG2  LYS   8           1HG      LYS   8  -8.573  17.461  25.539
   37    HG3  LYS   8           2HG      LYS   8  -9.549  18.834  26.058
   38    HD2  LYS   8           1HD      LYS   8 -10.570  15.963  25.991
   39    HD3  LYS   8           2HD      LYS   8  -9.857  16.748  27.409
   40    HE2  LYS   8           1HE      LYS   8 -11.593  18.560  27.241
   41    HE3  LYS   8           2HE      LYS   8 -12.370  17.659  25.933
   42    HZ1  LYS   8           3HZ      LYS   8 -13.387  17.203  28.095
   43    HZ2  LYS   8           1HZ      LYS   8 -11.978  16.645  28.701
   44    HZ3  LYS   8           2HZ      LYS   8 -12.729  15.828  27.497
   45    HA   PRO   9           HA       PRO   9  -9.969  19.967  19.252
   46    HB2  PRO   9           1HB      PRO   9  -7.517  20.634  18.125
   47    HB3  PRO   9           2HB      PRO   9  -8.590  21.741  19.009
   48    HG2  PRO   9           1HG      PRO   9  -6.199  20.309  20.100
   49    HG3  PRO   9           2HG      PRO   9  -6.629  22.036  20.261
   50    HD2  PRO   9           1HD      PRO   9  -7.221  20.260  22.212
   51    HD3  PRO   9           2HD      PRO   9  -8.369  21.554  21.774
   52    H    TYR  10           H        TYR  10  -7.225  17.916  20.204
   53    HA   TYR  10           HA       TYR  10  -7.191  16.555  17.613
   54    HB2  TYR  10           1HB      TYR  10  -5.669  16.029  20.185
   55    HB3  TYR  10           2HB      TYR  10  -5.367  15.245  18.641
   56    HD1  TYR  10           1HD      TYR  10  -5.117  18.392  20.547
   57    HD2  TYR  10           2HD      TYR  10  -4.319  16.486  16.769
   58    HE1  TYR  10           1HE      TYR  10  -3.569  20.227  19.967
   59    HE2  TYR  10           2HE      TYR  10  -2.786  18.368  16.157
   60    HH   TYR  10           HH       TYR  10  -2.136  21.094  18.383
   61    H    LYS  11           H        LYS  11  -8.841  15.180  17.186
   62    HA   LYS  11           HA       LYS  11  -9.977  13.405  19.321
   63    HB2  LYS  11           1HB      LYS  11 -11.066  14.294  16.621
   64    HB3  LYS  11           2HB      LYS  11 -11.755  12.979  17.555
   65    HG2  LYS  11           1HG      LYS  11 -13.098  14.847  17.961
   66    HG3  LYS  11           2HG      LYS  11 -12.207  14.527  19.447
   67    HD2  LYS  11           1HD      LYS  11 -10.747  16.437  19.047
   68    HD3  LYS  11           2HD      LYS  11 -11.366  16.613  17.395
   69    HE2  LYS  11           1HE      LYS  11 -12.390  18.332  18.631
   70    HE3  LYS  11           2HE      LYS  11 -13.642  17.116  18.366
   71    HZ1  LYS  11           3HZ      LYS  11 -12.061  17.478  20.860
   72    HZ2  LYS  11           1HZ      LYS  11 -13.232  16.333  20.657
   73    HZ3  LYS  11           2HZ      LYS  11 -13.622  17.920  20.663
   74    H    CYS  12           H        CYS  12 -10.254  11.199  19.032
   75    HA   CYS  12           HA       CYS  12  -8.386   9.808  17.296
   76    HB2  CYS  12           1HB      CYS  12  -8.794   9.090  19.547
   77    HB3  CYS  12           2HB      CYS  12 -10.524   8.904  19.226
   78    HA   PRO  13           HA       PRO  13 -11.455   9.329  13.998
   79    HB2  PRO  13           1HB      PRO  13 -10.060   7.724  12.307
   80    HB3  PRO  13           2HB      PRO  13  -9.589   9.426  12.605
   81    HG2  PRO  13           1HG      PRO  13  -8.433   6.919  13.855
   82    HG3  PRO  13           2HG      PRO  13  -7.556   8.316  13.160
   83    HD2  PRO  13           1HD      PRO  13  -8.100   8.020  15.863
   84    HD3  PRO  13           2HD      PRO  13  -7.930   9.612  15.076
   85    H    GLN  14           H        GLN  14 -10.386   6.871  16.182
   86    HA   GLN  14           HA       GLN  14 -12.250   4.837  15.020
   87    HB2  GLN  14           1HB      GLN  14  -9.926   4.360  16.907
   88    HB3  GLN  14           2HB      GLN  14 -10.934   3.170  16.095
   89    HG2  GLN  14           1HG      GLN  14 -10.072   4.540  13.918
   90    HG3  GLN  14           2HG      GLN  14  -8.752   4.928  15.013
   91   HE21  GLN  14          1HE2      GLN  14  -7.290   3.745  13.552
   92   HE22  GLN  14          2HE2      GLN  14  -7.306   1.986  13.567
   93    H    CYS  15           H        CYS  15 -11.628   6.700  17.983
   94    HA   CYS  15           HA       CYS  15 -14.202   5.649  19.019
   95    HB2  CYS  15           1HB      CYS  15 -13.350   5.063  21.165
   96    HB3  CYS  15           2HB      CYS  15 -12.441   4.188  19.943
   97    H    SER  16           H        SER  16 -14.491   6.820  21.356
   98    HA   SER  16           HA       SER  16 -15.073   9.565  20.628
   99    HB2  SER  16           1HB      SER  16 -16.162   9.628  22.857
  100    HB3  SER  16           2HB      SER  16 -16.688   8.271  21.852
  101    HG   SER  16           HG       SER  16 -16.228   7.630  24.016
  102    H    TYR  17           H        TYR  17 -12.191   8.343  21.668
  103    HA   TYR  17           HA       TYR  17 -11.333  10.040  23.757
  104    HB2  TYR  17           1HB      TYR  17 -10.156   8.047  23.078
  105    HB3  TYR  17           2HB      TYR  17  -9.840   8.700  21.484
  106    HD1  TYR  17           1HD      TYR  17  -9.029   8.911  25.105
  107    HD2  TYR  17           2HD      TYR  17  -7.956  10.288  21.155
  108    HE1  TYR  17           1HE      TYR  17  -6.874   9.785  25.990
  109    HE2  TYR  17           2HE      TYR  17  -5.787  11.128  22.041
  110    HH   TYR  17           HH       TYR  17  -4.902  10.813  25.503
  111    H    ALA  18           H        ALA  18 -10.279  11.934  23.889
  112    HA   ALA  18           HA       ALA  18  -9.318  13.334  21.557
  113    HB1  ALA  18           1HB      ALA  18 -11.394  14.724  23.307
  114    HB2  ALA  18           2HB      ALA  18 -10.537  15.417  21.907
  115    HB3  ALA  18           3HB      ALA  18 -11.702  14.098  21.675
  116    H    SER  19           H        SER  19  -7.812  15.002  22.040
  117    HA   SER  19           HA       SER  19  -7.115  15.561  24.858
  118    HB2  SER  19           1HB      SER  19  -5.852  13.469  24.070
  119    HB3  SER  19           2HB      SER  19  -4.963  14.541  22.976
  120    HG   SER  19           HG       SER  19  -5.114  14.584  25.825
  121    H    ALA  20           H        ALA  20  -5.208  17.095  24.953
  122    HA   ALA  20           HA       ALA  20  -5.697  19.349  23.095
  123    HB1  ALA  20           1HB      ALA  20  -6.002  19.687  25.519
  124    HB2  ALA  20           2HB      ALA  20  -4.298  19.248  25.791
  125    HB3  ALA  20           3HB      ALA  20  -4.709  20.710  24.869
  126    H    ILE  21           H        ILE  21  -3.565  16.852  23.088
  127    HA   ILE  21           HA       ILE  21  -1.311  18.431  21.914
  128    HB   ILE  21           HB       ILE  21  -1.162  16.214  23.994
  129   HG12  ILE  21          1HG1      ILE  21  -0.423  19.172  24.177
  130   HG13  ILE  21          2HG1      ILE  21  -1.772  18.378  24.992
  131   HG21  ILE  21          1HG2      ILE  21   1.283  16.500  23.929
  132   HG22  ILE  21          2HG2      ILE  21   0.672  15.996  22.382
  133   HG23  ILE  21          3HG2      ILE  21   1.122  17.702  22.625
  134   HD11  ILE  21          3HD1      ILE  21   1.166  17.992  25.606
  135   HD12  ILE  21          1HD1      ILE  21  -0.094  18.700  26.621
  136   HD13  ILE  21          2HD1      ILE  21  -0.134  16.962  26.263
  137    H    LYS  22           H        LYS  22  -0.534  17.604  20.023
  138    HA   LYS  22           HA       LYS  22  -1.825  15.442  18.685
  139    HB2  LYS  22           1HB      LYS  22  -0.636  17.344  17.569
  140    HB3  LYS  22           2HB      LYS  22   0.901  16.689  18.116
  141    HG2  LYS  22           1HG      LYS  22   0.593  16.105  15.812
  142    HG3  LYS  22           2HG      LYS  22   0.493  14.623  16.754
  143    HD2  LYS  22           1HD      LYS  22  -2.021  14.705  16.568
  144    HD3  LYS  22           2HD      LYS  22  -1.867  16.223  15.675
  145    HE2  LYS  22           1HE      LYS  22  -2.134  14.703  13.956
  146    HE3  LYS  22           2HE      LYS  22  -0.385  14.923  14.011
  147    HZ1  LYS  22           3HZ      LYS  22  -1.911  12.635  15.142
  148    HZ2  LYS  22           1HZ      LYS  22  -0.308  12.818  15.369
  149    HZ3  LYS  22           2HZ      LYS  22  -0.902  12.587  13.865
  150    H    ALA  23           H        ALA  23   1.252  15.471  20.487
  151    HA   ALA  23           HA       ALA  23   2.041  12.800  19.968
  152    HB1  ALA  23           1HB      ALA  23   2.534  14.477  22.463
  153    HB2  ALA  23           2HB      ALA  23   3.460  13.060  21.940
  154    HB3  ALA  23           3HB      ALA  23   3.491  14.538  20.962
  155    H    ASN  24           H        ASN  24  -0.315  14.013  22.376
  156    HA   ASN  24           HA       ASN  24  -0.691  11.460  23.694
  157    HB2  ASN  24           1HB      ASN  24  -2.419  13.974  23.495
  158    HB3  ASN  24           2HB      ASN  24  -2.845  12.575  24.447
  159   HD21  ASN  24          1HD2      ASN  24  -2.841  14.742  25.805
  160   HD22  ASN  24          2HD2      ASN  24  -1.416  14.861  26.847
  161    H    LEU  25           H        LEU  25  -2.285  13.046  20.867
  162    HA   LEU  25           HA       LEU  25  -4.101  10.842  20.454
  163    HB2  LEU  25           1HB      LEU  25  -4.530  13.036  19.501
  164    HB3  LEU  25           2HB      LEU  25  -3.062  12.945  18.525
  165    HG   LEU  25           HG       LEU  25  -3.983  11.054  17.249
  166   HD11  LEU  25          1HD1      LEU  25  -6.349  10.415  17.466
  167   HD12  LEU  25          2HD1      LEU  25  -6.510  11.422  18.925
  168   HD13  LEU  25          3HD1      LEU  25  -5.461   9.985  18.920
  169   HD21  LEU  25          3HD2      LEU  25  -5.971  13.345  17.408
  170   HD22  LEU  25          1HD2      LEU  25  -5.694  12.267  16.030
  171   HD23  LEU  25          2HD2      LEU  25  -4.422  13.398  16.532
  172    H    ASN  26           H        ASN  26  -0.825  11.519  19.066
  173    HA   ASN  26           HA       ASN  26  -0.576   9.219  17.455
  174    HB2  ASN  26           1HB      ASN  26   1.586  10.409  19.266
  175    HB3  ASN  26           2HB      ASN  26   1.866   9.345  17.905
  176   HD21  ASN  26          1HD2      ASN  26   3.189  11.635  18.216
  177   HD22  ASN  26          2HD2      ASN  26   2.743  12.742  16.910
  178    H    VAL  27           H        VAL  27   0.165   9.524  20.965
  179    HA   VAL  27           HA       VAL  27   1.040   6.827  21.223
  180    HB   VAL  27           HB       VAL  27   1.307   8.995  22.759
  181   HG11  VAL  27          1HG1      VAL  27  -0.683   7.439  24.416
  182   HG12  VAL  27          2HG1      VAL  27   0.345   8.793  24.934
  183   HG13  VAL  27          3HG1      VAL  27  -0.911   9.072  23.743
  184   HG21  VAL  27          3HG2      VAL  27   2.656   6.988  22.768
  185   HG22  VAL  27          1HG2      VAL  27   2.261   7.433  24.439
  186   HG23  VAL  27          2HG2      VAL  27   1.364   6.105  23.640
  187    H    HIS  28           H        HIS  28  -2.073   8.324  21.737
  188    HA   HIS  28           HA       HIS  28  -3.411   6.115  22.852
  189    HB2  HIS  28           1HB      HIS  28  -4.269   8.357  22.951
  190    HB3  HIS  28           2HB      HIS  28  -4.348   8.497  21.198
  191    HD1  HIS  28           1HD      HIS  28  -6.342   6.842  24.018
  192    HD2  HIS  28           2HD      HIS  28  -6.355   7.403  19.856
  193    HE1  HIS  28           1HE      HIS  28  -8.544   5.875  23.191
  194    H    LEU  29           H        LEU  29  -3.009   7.024  19.406
  195    HA   LEU  29           HA       LEU  29  -4.745   5.093  18.256
  196    HB2  LEU  29           1HB      LEU  29  -2.198   6.380  17.219
  197    HB3  LEU  29           2HB      LEU  29  -3.269   5.434  16.199
  198    HG   LEU  29           HG       LEU  29  -4.243   7.878  17.701
  199   HD11  LEU  29          1HD1      LEU  29  -3.932   9.141  15.597
  200   HD12  LEU  29          2HD1      LEU  29  -3.171   7.718  14.849
  201   HD13  LEU  29          3HD1      LEU  29  -2.383   8.548  16.209
  202   HD21  LEU  29          3HD2      LEU  29  -5.316   6.412  15.273
  203   HD22  LEU  29          1HD2      LEU  29  -5.936   7.940  15.933
  204   HD23  LEU  29          2HD2      LEU  29  -6.043   6.469  16.903
  205    H    ARG  30           H        ARG  30  -1.619   4.603  19.650
  206    HA   ARG  30           HA       ARG  30  -0.714   2.291  18.296
  207    HB2  ARG  30           1HB      ARG  30  -0.365   3.026  21.237
  208    HB3  ARG  30           2HB      ARG  30   0.573   1.807  20.382
  209    HG2  ARG  30           1HG      ARG  30   1.425   3.513  18.807
  210    HG3  ARG  30           2HG      ARG  30   0.508   4.765  19.665
  211    HD2  ARG  30           1HD      ARG  30   1.768   4.292  21.735
  212    HD3  ARG  30           2HD      ARG  30   2.689   3.032  20.886
  213    HE   ARG  30           HE       ARG  30   2.929   5.461  19.419
  214   HH11  ARG  30          2HH1      ARG  30   4.081   4.134  22.451
  215   HH12  ARG  30          1HH1      ARG  30   5.515   5.124  22.444
  216   HH21  ARG  30          2HH2      ARG  30   4.785   6.690  19.471
  217   HH22  ARG  30          1HH2      ARG  30   5.892   6.533  20.801
  218    H    LYS  31           H        LYS  31  -3.223   2.501  20.765
  219    HA   LYS  31           HA       LYS  31  -3.378  -0.383  21.204
  220    HB2  LYS  31           1HB      LYS  31  -5.063   0.053  22.710
  221    HB3  LYS  31           2HB      LYS  31  -4.032   1.480  22.798
  222    HG2  LYS  31           1HG      LYS  31  -5.728   2.654  21.268
  223    HG3  LYS  31           2HG      LYS  31  -6.735   1.216  21.401
  224    HD2  LYS  31           1HD      LYS  31  -7.555   2.819  22.980
  225    HD3  LYS  31           2HD      LYS  31  -6.810   1.485  23.869
  226    HE2  LYS  31           1HE      LYS  31  -4.701   2.919  24.048
  227    HE3  LYS  31           2HE      LYS  31  -5.614   4.245  23.330
  228    HZ1  LYS  31           3HZ      LYS  31  -7.168   4.061  25.247
  229    HZ2  LYS  31           1HZ      LYS  31  -5.641   4.338  25.773
  230    HZ3  LYS  31           2HZ      LYS  31  -6.283   2.846  25.877
  231    H    HIS  32           H        HIS  32  -4.662   1.679  18.818
  232    HA   HIS  32           HA       HIS  32  -6.823  -0.134  17.964
  233    HB2  HIS  32           1HB      HIS  32  -5.876   2.551  16.889
  234    HB3  HIS  32           2HB      HIS  32  -7.258   1.653  16.319
  235    HD1  HIS  32           1HD      HIS  32  -8.791   0.951  18.953
  236    HD2  HIS  32           2HD      HIS  32  -6.920   4.608  18.080
  237    HE1  HIS  32           1HE      HIS  32  -9.956   2.678  20.396
  238    H    THR  33           H        THR  33  -3.724  -0.656  17.619
  239    HA   THR  33           HA       THR  33  -3.413  -0.835  14.719
  240    HB   THR  33           HB       THR  33  -1.189  -1.795  15.267
  241    HG1  THR  33           1HG      THR  33  -1.514  -1.035  17.926
  242   HG21  THR  33          3HG2      THR  33  -0.298   0.309  16.237
  243   HG22  THR  33          1HG2      THR  33  -1.970   0.831  16.593
  244   HG23  THR  33          2HG2      THR  33  -1.460   0.575  14.919
  245    H    GLY  34           H        GLY  34  -2.419  -2.860  13.784
  246    HA2  GLY  34           1HA      GLY  34  -2.626  -5.212  13.354
  247    HA3  GLY  34           2HA      GLY  34  -3.945  -5.305  14.530
  248    H    GLU  35           H        GLU  35  -3.012  -3.911  11.403
  249    HA   GLU  35           HA       GLU  35  -5.799  -3.890  10.349
  250    HB2  GLU  35           1HB      GLU  35  -5.255  -1.717  11.428
  251    HB3  GLU  35           2HB      GLU  35  -3.760  -1.621  10.507
  252    HG2  GLU  35           1HG      GLU  35  -5.372  -0.119   9.624
  253    HG3  GLU  35           2HG      GLU  35  -5.020  -1.336   8.419
  254    H    LYS  36           H        LYS  36  -5.914  -3.600   8.039
  255    HA   LYS  36           HA       LYS  36  -3.802  -5.084   6.616
  256    HB2  LYS  36           1HB      LYS  36  -6.404  -3.808   5.687
  257    HB3  LYS  36           2HB      LYS  36  -5.237  -4.597   4.609
  258    HG2  LYS  36           1HG      LYS  36  -5.450  -6.670   6.108
  259    HG3  LYS  36           2HG      LYS  36  -6.861  -5.880   6.837
  260    HD2  LYS  36           1HD      LYS  36  -7.919  -5.726   4.588
  261    HD3  LYS  36           2HD      LYS  36  -6.479  -6.487   3.871
  262    HE2  LYS  36           1HE      LYS  36  -6.862  -8.507   5.279
  263    HE3  LYS  36           2HE      LYS  36  -8.317  -7.759   5.951
  264    HZ1  LYS  36           3HZ      LYS  36  -7.910  -8.417   3.080
  265    HZ2  LYS  36           1HZ      LYS  36  -9.257  -7.729   3.699
  266    HZ3  LYS  36           2HZ      LYS  36  -8.856  -9.255   4.112
  267    H    PHE  37           H        PHE  37  -2.050  -4.248   6.295
  268    HA   PHE  37           HA       PHE  37  -1.705  -1.479   5.279
  269    HB2  PHE  37           1HB      PHE  37   0.420  -3.573   5.766
  270    HB3  PHE  37           2HB      PHE  37   0.621  -1.822   5.629
  271    HD1  PHE  37           2HD      PHE  37  -0.815  -0.444   7.487
  272    HD2  PHE  37           1HD      PHE  37   0.396  -4.561   7.832
  273    HE1  PHE  37           2HE      PHE  37  -1.076  -0.317   9.948
  274    HE2  PHE  37           1HE      PHE  37   0.181  -4.433  10.273
  275    HZ   PHE  37           HZ       PHE  37  -0.609  -2.312  11.360
  276    H    ALA  38           H        ALA  38  -1.855  -1.159   3.174
  277    HA   ALA  38           HA       ALA  38  -1.643  -3.345   1.227
  278    HB1  ALA  38           1HB      ALA  38  -2.452  -1.691  -0.376
  279    HB2  ALA  38           2HB      ALA  38  -3.472  -1.677   1.078
  280    HB3  ALA  38           3HB      ALA  38  -2.260  -0.396   0.822
  281    H    CYS  39           H        CYS  39  -0.241  -3.530  -0.499
  282    HA   CYS  39           HA       CYS  39   2.431  -2.461  -0.273
  283    HB2  CYS  39           1HB      CYS  39   1.877  -4.620  -1.161
  284    HB3  CYS  39           2HB      CYS  39   0.867  -3.916  -2.420
  285    H    ASP  40           H        ASP  40   3.448  -0.949  -1.317
  286    HA   ASP  40           HA       ASP  40   1.947   1.361  -2.334
  287    HB2  ASP  40           1HB      ASP  40   4.853   0.725  -1.754
  288    HB3  ASP  40           2HB      ASP  40   4.399   2.203  -2.605
  289    H    TYR  41           H        TYR  41   3.058  -1.514  -3.720
  290    HA   TYR  41           HA       TYR  41   3.499  -0.254  -6.415
  291    HB2  TYR  41           1HB      TYR  41   4.847  -2.679  -5.172
  292    HB3  TYR  41           2HB      TYR  41   5.112  -2.045  -6.782
  293    HD1  TYR  41           1HD      TYR  41   6.173   0.277  -7.024
  294    HD2  TYR  41           2HD      TYR  41   5.735  -1.699  -3.232
  295    HE1  TYR  41           1HE      TYR  41   7.894   1.800  -6.051
  296    HE2  TYR  41           2HE      TYR  41   7.477  -0.174  -2.240
  297    HH   TYR  41           HH       TYR  41   9.119   2.336  -4.221
  298    H    CYS  42           H        CYS  42   1.896  -2.844  -4.703
  299    HA   CYS  42           HA       CYS  42   0.221  -3.231  -7.121
  300    HB2  CYS  42           1HB      CYS  42   0.172  -5.647  -6.973
  301    HB3  CYS  42           2HB      CYS  42   1.818  -5.069  -7.257
  302    H    SER  43           H        SER  43  -1.651  -4.872  -6.494
  303    HA   SER  43           HA       SER  43  -3.264  -3.571  -4.474
  304    HB2  SER  43           1HB      SER  43  -3.836  -6.083  -6.084
  305    HB3  SER  43           2HB      SER  43  -5.018  -5.098  -5.202
  306    HG   SER  43           HG       SER  43  -4.969  -4.589  -7.442
  307    H    PHE  44           H        PHE  44  -0.825  -5.683  -3.878
  308    HA   PHE  44           HA       PHE  44  -1.929  -7.705  -2.247
  309    HB2  PHE  44           1HB      PHE  44   0.305  -7.765  -3.040
  310    HB3  PHE  44           2HB      PHE  44   0.750  -6.308  -2.180
  311    HD1  PHE  44           2HD      PHE  44  -0.026  -9.925  -1.816
  312    HD2  PHE  44           1HD      PHE  44   1.373  -6.357   0.159
  313    HE1  PHE  44           2HE      PHE  44   0.792 -11.294   0.093
  314    HE2  PHE  44           1HE      PHE  44   2.200  -7.727   2.055
  315    HZ   PHE  44           HZ       PHE  44   1.908 -10.196   2.028
  316    H    THR  45           H        THR  45  -2.101  -7.916  -0.007
  317    HA   THR  45           HA       THR  45  -1.730  -5.603   1.749
  318    HB   THR  45           HB       THR  45  -3.874  -5.976   2.896
  319    HG1  THR  45           1HG      THR  45  -4.614  -7.380   0.550
  320   HG21  THR  45          3HG2      THR  45  -4.118  -5.077   0.012
  321   HG22  THR  45          1HG2      THR  45  -3.681  -4.105   1.439
  322   HG23  THR  45          2HG2      THR  45  -5.314  -4.777   1.303
  323    H    CYS  46           H        CYS  46  -1.527  -6.068   3.919
  324    HA   CYS  46           HA       CYS  46  -1.629  -8.889   4.831
  325    HB2  CYS  46           1HB      CYS  46   0.721  -8.322   3.872
  326    HB3  CYS  46           2HB      CYS  46   0.880  -7.250   5.284
  327    HG   CYS  46           HG       CYS  46   0.267 -10.520   5.146
  328    H    LEU  47           H        LEU  47  -1.702  -9.135   7.102
  329    HA   LEU  47           HA       LEU  47  -2.521  -6.781   8.683
  330    HB2  LEU  47           1HB      LEU  47  -2.350  -9.743   9.360
  331    HB3  LEU  47           2HB      LEU  47  -2.981  -8.500  10.436
  332    HG   LEU  47           HG       LEU  47  -4.189  -9.249   7.736
  333   HD11  LEU  47          1HD1      LEU  47  -6.009 -10.195   9.080
  334   HD12  LEU  47          2HD1      LEU  47  -5.143  -9.781  10.578
  335   HD13  LEU  47          3HD1      LEU  47  -4.469 -10.987   9.457
  336   HD21  LEU  47          3HD2      LEU  47  -4.615  -6.895   8.257
  337   HD22  LEU  47          1HD2      LEU  47  -5.145  -7.320   9.898
  338   HD23  LEU  47          2HD2      LEU  47  -6.094  -7.838   8.484
  339    H    SER  48           H        SER  48   0.431  -8.010   7.889
  340    HA   SER  48           HA       SER  48   1.717  -6.892  10.350
  341    HB2  SER  48           1HB      SER  48   2.006  -9.274  10.474
  342    HB3  SER  48           2HB      SER  48   2.450  -9.364   8.767
  343    HG   SER  48           HG       SER  48   3.937  -8.314  10.945
  344    H    LYS  49           H        LYS  49   2.765  -5.175   9.948
  345    HA   LYS  49           HA       LYS  49   3.461  -4.188   7.349
  346    HB2  LYS  49           1HB      LYS  49   4.954  -2.632   8.881
  347    HB3  LYS  49           2HB      LYS  49   3.209  -2.424   8.698
  348    HG2  LYS  49           1HG      LYS  49   2.827  -3.549  10.855
  349    HG3  LYS  49           2HG      LYS  49   4.576  -3.822  11.038
  350    HD2  LYS  49           1HD      LYS  49   4.978  -1.416  11.138
  351    HD3  LYS  49           2HD      LYS  49   3.275  -1.073  10.745
  352    HE2  LYS  49           1HE      LYS  49   2.540  -2.180  12.811
  353    HE3  LYS  49           2HE      LYS  49   4.214  -2.586  13.221
  354    HZ1  LYS  49           3HZ      LYS  49   4.692  -0.197  13.354
  355    HZ2  LYS  49           1HZ      LYS  49   3.486  -0.579  14.382
  356    HZ3  LYS  49           2HZ      LYS  49   3.146   0.181  12.978
  357    H    GLY  50           H        GLY  50   5.272  -6.105   9.679
  358    HA2  GLY  50           1HA      GLY  50   7.878  -5.827   8.434
  359    HA3  GLY  50           2HA      GLY  50   7.351  -7.071   9.570
  360    H    HIS  51           H        HIS  51   5.197  -8.210   8.069
  361    HA   HIS  51           HA       HIS  51   6.528  -9.828   6.066
  362    HB2  HIS  51           1HB      HIS  51   3.640  -9.423   6.912
  363    HB3  HIS  51           2HB      HIS  51   4.096 -10.491   5.587
  364    HD1  HIS  51           1HD      HIS  51   4.444 -10.332   9.425
  365    HD2  HIS  51           2HD      HIS  51   5.511 -12.604   6.073
  366    HE1  HIS  51           1HE      HIS  51   5.298 -12.565  10.344
  367    H    LEU  52           H        LEU  52   4.260  -7.121   5.855
  368    HA   LEU  52           HA       LEU  52   4.187  -6.829   3.032
  369    HB2  LEU  52           1HB      LEU  52   2.662  -5.635   4.500
  370    HB3  LEU  52           2HB      LEU  52   4.003  -4.771   5.253
  371    HG   LEU  52           HG       LEU  52   4.482  -3.587   3.136
  372   HD11  LEU  52          1HD1      LEU  52   3.629  -5.257   1.501
  373   HD12  LEU  52          2HD1      LEU  52   2.871  -3.689   1.294
  374   HD13  LEU  52          3HD1      LEU  52   1.972  -4.988   2.102
  375   HD21  LEU  52          3HD2      LEU  52   2.589  -2.110   3.204
  376   HD22  LEU  52          1HD2      LEU  52   2.872  -2.696   4.857
  377   HD23  LEU  52          2HD2      LEU  52   1.562  -3.386   3.876
  378    H    LYS  53           H        LYS  53   6.623  -5.490   5.350
  379    HA   LYS  53           HA       LYS  53   8.283  -4.274   3.366
  380    HB2  LYS  53           1HB      LYS  53   8.831  -3.700   5.545
  381    HB3  LYS  53           2HB      LYS  53   8.804  -5.355   6.135
  382    HG2  LYS  53           1HG      LYS  53  10.885  -5.902   5.074
  383    HG3  LYS  53           2HG      LYS  53  10.914  -4.376   4.175
  384    HD2  LYS  53           1HD      LYS  53  10.841  -4.339   7.201
  385    HD3  LYS  53           2HD      LYS  53  12.359  -4.713   6.390
  386    HE2  LYS  53           1HE      LYS  53  10.764  -2.301   5.509
  387    HE3  LYS  53           2HE      LYS  53  11.717  -2.207   6.994
  388    HZ1  LYS  53           3HZ      LYS  53  12.916  -3.017   4.378
  389    HZ2  LYS  53           1HZ      LYS  53  13.698  -2.716   5.769
  390    HZ3  LYS  53           2HZ      LYS  53  12.963  -1.493   4.982
  391    H    VAL  54           H        VAL  54   8.525  -7.647   4.650
  392    HA   VAL  54           HA       VAL  54  10.518  -8.510   2.845
  393    HB   VAL  54           HB       VAL  54   8.234 -10.162   3.989
  394   HG11  VAL  54          1HG1      VAL  54   9.831 -12.088   3.573
  395   HG12  VAL  54          2HG1      VAL  54   9.135 -11.390   2.113
  396   HG13  VAL  54          3HG1      VAL  54  10.805 -10.984   2.565
  397   HG21  VAL  54          3HG2      VAL  54  11.136  -9.835   4.857
  398   HG22  VAL  54          1HG2      VAL  54   9.734  -9.133   5.687
  399   HG23  VAL  54          2HG2      VAL  54   9.913 -10.887   5.614
  400    H    HIS  55           H        HIS  55   6.969  -8.448   2.242
  401    HA   HIS  55           HA       HIS  55   7.003  -9.591  -0.323
  402    HB2  HIS  55           1HB      HIS  55   4.916  -9.208   0.777
  403    HB3  HIS  55           2HB      HIS  55   5.232  -7.489   0.953
  404    HD1  HIS  55           1HD      HIS  55   4.222  -9.991  -1.789
  405    HD2  HIS  55           2HD      HIS  55   4.522  -5.870  -1.015
  406    HE1  HIS  55           1HE      HIS  55   3.147  -8.831  -3.772
  407    H    ILE  56           H        ILE  56   7.531  -6.117   0.524
  408    HA   ILE  56           HA       ILE  56   7.971  -5.350  -2.263
  409    HB   ILE  56           HB       ILE  56   8.539  -3.928   0.355
  410   HG12  ILE  56          1HG1      ILE  56   6.277  -3.479  -1.648
  411   HG13  ILE  56          2HG1      ILE  56   6.107  -4.450  -0.194
  412   HG21  ILE  56          1HG2      ILE  56   8.798  -1.876  -0.982
  413   HG22  ILE  56          2HG2      ILE  56   9.978  -3.067  -1.508
  414   HG23  ILE  56          3HG2      ILE  56   8.519  -2.787  -2.481
  415   HD11  ILE  56          3HD1      ILE  56   5.185  -2.297   0.239
  416   HD12  ILE  56          1HD1      ILE  56   6.650  -2.497   1.217
  417   HD13  ILE  56          2HD1      ILE  56   6.678  -1.475  -0.245
  418    H    GLU  57           H        GLU  57  10.122  -6.229   0.409
  419    HA   GLU  57           HA       GLU  57  12.610  -5.665  -0.939
  420    HB2  GLU  57           1HB      GLU  57  11.907  -7.582   1.295
  421    HB3  GLU  57           2HB      GLU  57  13.541  -7.128   0.915
  422    HG2  GLU  57           1HG      GLU  57  11.534  -4.960   1.632
  423    HG3  GLU  57           2HG      GLU  57  12.196  -6.015   2.875
  424    H    ARG  58           H        ARG  58  10.396  -8.214  -1.405
  425    HA   ARG  58           HA       ARG  58  12.462  -9.798  -2.916
  426    HB2  ARG  58           1HB      ARG  58  11.454 -11.784  -2.399
  427    HB3  ARG  58           2HB      ARG  58  11.285 -10.851  -0.930
  428    HG2  ARG  58           1HG      ARG  58   8.909 -10.307  -1.644
  429    HG3  ARG  58           2HG      ARG  58   9.117 -11.482  -2.951
  430    HD2  ARG  58           1HD      ARG  58   9.420 -12.072   0.016
  431    HD3  ARG  58           2HD      ARG  58   7.967 -12.402  -0.917
  432    HE   ARG  58           HE       ARG  58  10.487 -13.910  -0.923
  433   HH11  ARG  58          1HH1      ARG  58   7.503 -13.449  -2.715
  434   HH12  ARG  58          2HH1      ARG  58   7.671 -14.971  -3.546
  435   HH21  ARG  58          2HH2      ARG  58  10.627 -15.827  -2.019
  436   HH22  ARG  58          1HH2      ARG  58   9.390 -16.276  -3.155
  437    H    VAL  59           H        VAL  59   9.103  -8.589  -3.205
  438    HA   VAL  59           HA       VAL  59   9.010  -9.616  -5.926
  439    HB   VAL  59           HB       VAL  59   6.894  -7.989  -4.463
  440   HG11  VAL  59          1HG1      VAL  59   6.579  -7.924  -6.904
  441   HG12  VAL  59          2HG1      VAL  59   6.723  -9.696  -6.980
  442   HG13  VAL  59          3HG1      VAL  59   5.351  -8.935  -6.144
  443   HG21  VAL  59          3HG2      VAL  59   7.206 -10.086  -3.274
  444   HG22  VAL  59          1HG2      VAL  59   5.742 -10.216  -4.234
  445   HG23  VAL  59          2HG2      VAL  59   7.231 -11.005  -4.801
  446    H    HIS  60           H        HIS  60   8.906  -6.393  -4.373
  447    HA   HIS  60           HA       HIS  60   9.262  -5.045  -6.986
  448    HB2  HIS  60           1HB      HIS  60   8.399  -3.864  -4.361
  449    HB3  HIS  60           2HB      HIS  60   8.298  -3.124  -5.956
  450    HD1  HIS  60           1HD      HIS  60   6.520  -4.584  -7.703
  451    HD2  HIS  60           2HD      HIS  60   6.299  -5.087  -3.539
  452    HE1  HIS  60           1HE      HIS  60   4.227  -5.587  -7.247
  453    H    LYS  61           H        LYS  61  11.477  -6.300  -5.391
  454    HA   LYS  61           HA       LYS  61  13.225  -4.210  -4.454
  455    HB2  LYS  61           1HB      LYS  61  13.349  -6.481  -3.690
  456    HB3  LYS  61           2HB      LYS  61  13.594  -7.097  -5.310
  457    HG2  LYS  61           1HG      LYS  61  15.640  -7.241  -4.073
  458    HG3  LYS  61           2HG      LYS  61  15.823  -6.149  -5.424
  459    HD2  LYS  61           1HD      LYS  61  17.023  -5.385  -3.432
  460    HD3  LYS  61           2HD      LYS  61  15.805  -4.202  -3.916
  461    HE2  LYS  61           1HE      LYS  61  14.292  -4.920  -2.180
  462    HE3  LYS  61           2HE      LYS  61  15.305  -6.319  -1.789
  463    HZ1  LYS  61           3HZ      LYS  61  16.146  -3.495  -1.411
  464    HZ2  LYS  61           1HZ      LYS  61  17.006  -4.824  -0.978
  465    HZ3  LYS  61           2HZ      LYS  61  15.590  -4.482  -0.226
  466    H    LYS  62           H        LYS  62  15.041  -3.324  -5.420
  467    HA   LYS  62           HA       LYS  62  16.060  -1.996  -6.932
  468    HB2  LYS  62           1HB      LYS  62  15.587  -4.177  -8.989
  469    HB3  LYS  62           2HB      LYS  62  16.721  -2.847  -9.111
  470    HG2  LYS  62           1HG      LYS  62  16.840  -5.188  -7.176
  471    HG3  LYS  62           2HG      LYS  62  17.867  -4.914  -8.567
  472    HD2  LYS  62           1HD      LYS  62  17.839  -3.223  -6.027
  473    HD3  LYS  62           2HD      LYS  62  19.033  -4.442  -6.474
  474    HE2  LYS  62           1HE      LYS  62  19.580  -3.104  -8.536
  475    HE3  LYS  62           2HE      LYS  62  18.476  -1.842  -7.969
  476    HZ1  LYS  62           3HZ      LYS  62  19.862  -1.644  -5.952
  477    HZ2  LYS  62           1HZ      LYS  62  20.742  -1.345  -7.300
  478    HZ3  LYS  62           2HZ      LYS  62  20.898  -2.774  -6.524
  479    H    ILE  63           H        ILE  63  14.222  -0.669  -6.484
  480    HA   ILE  63           HA       ILE  63  12.701   0.194  -8.887
  481    HB   ILE  63           HB       ILE  63  11.475  -1.517  -7.442
  482   HG12  ILE  63          1HG1      ILE  63   9.936   1.064  -7.706
  483   HG13  ILE  63          2HG1      ILE  63  10.479   0.142  -9.120
  484   HG21  ILE  63          1HG2      ILE  63  10.378  -0.704  -5.389
  485   HG22  ILE  63          2HG2      ILE  63  12.128  -0.603  -5.221
  486   HG23  ILE  63          3HG2      ILE  63  11.167   0.862  -5.542
  487   HD11  ILE  63          3HD1      ILE  63   8.171  -0.443  -8.483
  488   HD12  ILE  63          1HD1      ILE  63   9.260  -1.840  -8.357
  489   HD13  ILE  63          2HD1      ILE  63   8.746  -0.982  -6.892
  490    H    LYS  64           H        LYS  64  11.486   2.196  -8.402
  491    HA   LYS  64           HA       LYS  64  13.214   4.219  -7.154
  492    HB2  LYS  64           1HB      LYS  64  10.509   4.597  -8.485
  493    HB3  LYS  64           2HB      LYS  64  11.663   5.862  -8.074
  494    HG2  LYS  64           1HG      LYS  64  12.036   3.695 -10.185
  495    HG3  LYS  64           2HG      LYS  64  11.680   5.397 -10.460
  496    HD2  LYS  64           1HD      LYS  64  13.874   6.019  -9.439
  497    HD3  LYS  64           2HD      LYS  64  14.243   4.290  -9.236
  498    HE2  LYS  64           1HE      LYS  64  14.030   3.928 -11.662
  499    HE3  LYS  64           2HE      LYS  64  13.621   5.632 -11.904
  500    HZ1  LYS  64           3HZ      LYS  64  15.827   6.228 -11.116
  501    HZ2  LYS  64           1HZ      LYS  64  15.989   5.148 -12.328
  502    HZ3  LYS  64           2HZ      LYS  64  16.201   4.670 -10.776
  503    H    GLN  65           H        GLN  65  12.694   5.641  -5.543
  504    HA   GLN  65           HA       GLN  65  10.250   5.293  -3.877
  505    HB2  GLN  65           1HB      GLN  65  13.019   5.491  -2.614
  506    HB3  GLN  65           2HB      GLN  65  11.472   5.258  -1.821
  507    HG2  GLN  65           1HG      GLN  65  12.404   3.170  -1.670
  508    HG3  GLN  65           2HG      GLN  65  11.327   3.008  -3.060
  509   HE21  GLN  65          1HE2      GLN  65  12.709   1.111  -3.546
  510   HE22  GLN  65          2HE2      GLN  65  14.065   1.485  -4.608
  511    H    HIS  66           H        HIS  66  10.249   7.125  -2.114
  512    HA   HIS  66           HA       HIS  66  11.879   9.453  -2.853
  513    HB2  HIS  66           1HB      HIS  66  10.140  11.047  -2.814
  514    HB3  HIS  66           2HB      HIS  66   9.707   9.814  -3.983
  515    HD1  HIS  66           1HD      HIS  66   7.311   8.746  -3.634
  516    HD2  HIS  66           2HD      HIS  66   8.784  10.934  -0.359
  517    HE1  HIS  66           1HE      HIS  66   5.374   8.969  -1.993
  518    H    CYS  67           H        CYS  67  12.362  10.879  -1.225
  519    HA   CYS  67           HA       CYS  67  12.416   9.846   1.488
  520    HB2  CYS  67           1HB      CYS  67  14.288  10.978   0.392
  521    HB3  CYS  67           2HB      CYS  67  13.303  12.426   0.161
  522    H    ARG  68           H        ARG  68  11.149  10.313   3.168
  523    HA   ARG  68           HA       ARG  68   8.728  11.890   2.747
  524    HB2  ARG  68           1HB      ARG  68   7.945  11.052   4.801
  525    HB3  ARG  68           2HB      ARG  68   8.773   9.752   3.975
  526    HG2  ARG  68           1HG      ARG  68   9.431   9.454   6.155
  527    HG3  ARG  68           2HG      ARG  68  10.823  10.314   5.495
  528    HD2  ARG  68           1HD      ARG  68  10.111  12.388   6.559
  529    HD3  ARG  68           2HD      ARG  68   8.540  11.715   6.977
  530    HE   ARG  68           HE       ARG  68  11.106  11.321   8.335
  531   HH11  ARG  68          2HH2      ARG  68   7.829  10.081   8.107
  532   HH12  ARG  68          1HH2      ARG  68   7.899   9.352   9.687
  533   HH21  ARG  68          2HH1      ARG  68  11.106  10.379  10.356
  534   HH22  ARG  68          1HH1      ARG  68   9.708   9.511  10.912
  535    H    PHE  69           H        PHE  69  11.826  12.764   3.800
  536    HA   PHE  69           HA       PHE  69  10.908  15.020   5.496
  537    HB2  PHE  69           1HB      PHE  69  13.663  14.097   4.698
  538    HB3  PHE  69           2HB      PHE  69  13.317  15.377   5.839
  539    HD1  PHE  69           2HD      PHE  69  12.477  14.872   8.102
  540    HD2  PHE  69           1HD      PHE  69  13.483  11.737   5.318
  541    HE1  PHE  69           2HE      PHE  69  12.697  13.271   9.981
  542    HE2  PHE  69           1HE      PHE  69  13.697  10.134   7.198
  543    HZ   PHE  69           HZ       PHE  69  13.354  10.905   9.538
  544    H    CYS  70           H        CYS  70  12.466  14.507   2.310
  545    HA   CYS  70           HA       CYS  70  12.188  17.412   1.698
  546    HB2  CYS  70           1HB      CYS  70  14.353  17.492   0.739
  547    HB3  CYS  70           2HB      CYS  70  14.447  16.976   2.418
  548    H    LYS  71           H        LYS  71  11.090  14.485   0.690
  549    HA   LYS  71           HA       LYS  71  10.243  13.595  -1.196
  550    HB2  LYS  71           1HB      LYS  71   9.719  16.517  -1.800
  551    HB3  LYS  71           2HB      LYS  71   9.037  15.204  -2.746
  552    HG2  LYS  71           1HG      LYS  71   8.589  15.475   0.257
  553    HG3  LYS  71           2HG      LYS  71   7.525  16.157  -0.974
  554    HD2  LYS  71           1HD      LYS  71   7.107  13.917  -1.916
  555    HD3  LYS  71           2HD      LYS  71   8.171  13.190  -0.697
  556    HE2  LYS  71           1HE      LYS  71   6.721  13.925   1.109
  557    HE3  LYS  71           2HE      LYS  71   5.700  14.827  -0.017
  558    HZ1  LYS  71           3HZ      LYS  71   4.764  12.634   0.559
  559    HZ2  LYS  71           1HZ      LYS  71   6.047  11.868  -0.113
  560    HZ3  LYS  71           2HZ      LYS  71   5.039  12.750  -1.043
  561    H    LYS  72           H        LYS  72  13.177  14.308  -1.282
  562    HA   LYS  72           HA       LYS  72  13.885  14.365  -4.083
  563    HB2  LYS  72           1HB      LYS  72  15.393  14.835  -2.051
  564    HB3  LYS  72           2HB      LYS  72  15.436  13.105  -1.779
  565    HG2  LYS  72           1HG      LYS  72  16.452  12.727  -3.979
  566    HG3  LYS  72           2HG      LYS  72  16.257  14.435  -4.409
  567    HD2  LYS  72           1HD      LYS  72  17.862  15.121  -2.715
  568    HD3  LYS  72           2HD      LYS  72  17.960  13.473  -2.071
  569    HE2  LYS  72           1HE      LYS  72  18.746  12.713  -4.364
  570    HE3  LYS  72           2HE      LYS  72  18.839  14.415  -4.837
  571    HZ1  LYS  72           3HZ      LYS  72  20.444  14.730  -3.000
  572    HZ2  LYS  72           1HZ      LYS  72  20.983  13.602  -4.051
  573    HZ3  LYS  72           2HZ      LYS  72  20.344  13.134  -2.622
  574    H    LYS  73           H        LYS  73  14.056  12.696  -5.553
  575    HA   LYS  73           HA       LYS  73  12.862  10.090  -4.810
  576    HB2  LYS  73           1HB      LYS  73  13.520  11.353  -7.481
  577    HB3  LYS  73           2HB      LYS  73  13.037   9.655  -7.308
  578    HG2  LYS  73           1HG      LYS  73  10.923  10.281  -6.262
  579    HG3  LYS  73           2HG      LYS  73  11.396  11.979  -6.227
  580    HD2  LYS  73           1HD      LYS  73   9.832  11.642  -8.028
  581    HD3  LYS  73           2HD      LYS  73  11.416  12.029  -8.715
  582    HE2  LYS  73           1HE      LYS  73  11.810   9.617  -9.169
  583    HE3  LYS  73           2HE      LYS  73  10.255   9.215  -8.427
  584    HZ1  LYS  73           3HZ      LYS  73   9.162  10.514 -10.181
  585    HZ2  LYS  73           1HZ      LYS  73  10.078   9.341 -10.849
  586    HZ3  LYS  73           2HZ      LYS  73  10.600  10.887 -10.863
  587    H    TYR  74           H        TYR  74  13.768   8.159  -4.933
  588    HA   TYR  74           HA       TYR  74  16.731   7.955  -5.268
  589    HB2  TYR  74           1HB      TYR  74  14.995   7.173  -2.928
  590    HB3  TYR  74           2HB      TYR  74  16.397   6.187  -3.321
  591    HD1  TYR  74           1HD      TYR  74  15.371   9.708  -2.475
  592    HD2  TYR  74           2HD      TYR  74  18.601   6.877  -2.861
  593    HE1  TYR  74           1HE      TYR  74  16.995  11.480  -1.827
  594    HE2  TYR  74           2HE      TYR  74  20.233   8.654  -2.241
  595    HH   TYR  74           HH       TYR  74  20.544  10.846  -1.827
  596    H    SER  75           H        SER  75  17.529   5.844  -5.756
  597    HA   SER  75           HA       SER  75  15.611   4.219  -7.380
  598    HB2  SER  75           1HB      SER  75  17.334   5.732  -8.549
  599    HB3  SER  75           2HB      SER  75  18.547   4.555  -8.019
  600    HG   SER  75           HG       SER  75  17.341   2.945  -9.121
  601    H    ASP  76           H        ASP  76  17.079   3.966  -4.566
  602    HA   ASP  76           HA       ASP  76  16.805   1.118  -4.534
  603    HB2  ASP  76           1HB      ASP  76  19.326   1.524  -5.143
  604    HB3  ASP  76           2HB      ASP  76  19.493   2.101  -3.496
  605    H    VAL  77           H        VAL  77  15.954   0.587  -2.525
  606    HA   VAL  77           HA       VAL  77  15.283   2.660  -0.688
  607    HB   VAL  77           HB       VAL  77  14.059   0.503  -0.982
  608   HG11  VAL  77          1HG1      VAL  77  16.118  -0.701   0.912
  609   HG12  VAL  77          2HG1      VAL  77  14.669  -1.474   0.252
  610   HG13  VAL  77          3HG1      VAL  77  16.014  -1.062  -0.829
  611   HG21  VAL  77          3HG2      VAL  77  14.805   1.195   1.888
  612   HG22  VAL  77          1HG2      VAL  77  13.601   2.041   0.892
  613   HG23  VAL  77          2HG2      VAL  77  13.340   0.349   1.347
  614    H    LYS  78           H        LYS  78  18.082   0.430  -0.744
  615    HA   LYS  78           HA       LYS  78  19.019   1.067   1.922
  616    HB2  LYS  78           1HB      LYS  78  20.544   0.087  -0.531
  617    HB3  LYS  78           2HB      LYS  78  21.195   0.180   1.108
  618    HG2  LYS  78           1HG      LYS  78  19.462  -1.406   1.913
  619    HG3  LYS  78           2HG      LYS  78  18.781  -1.499   0.287
  620    HD2  LYS  78           1HD      LYS  78  20.129  -3.446   0.650
  621    HD3  LYS  78           2HD      LYS  78  20.924  -2.433  -0.564
  622    HE2  LYS  78           1HE      LYS  78  22.477  -1.567   1.172
  623    HE3  LYS  78           2HE      LYS  78  21.644  -2.521   2.406
  624    HZ1  LYS  78           3HZ      LYS  78  23.097  -3.654   0.071
  625    HZ2  LYS  78           1HZ      LYS  78  22.334  -4.534   1.217
  626    HZ3  LYS  78           2HZ      LYS  78  23.644  -3.646   1.609
  627    H    ASN  79           H        ASN  79  19.563   2.644  -1.232
  628    HA   ASN  79           HA       ASN  79  21.425   4.562  -0.056
  629    HB2  ASN  79           1HB      ASN  79  20.025   4.397  -2.756
  630    HB3  ASN  79           2HB      ASN  79  21.044   5.759  -2.306
  631   HD21  ASN  79          1HD2      ASN  79  21.499   3.841  -4.486
  632   HD22  ASN  79          2HD2      ASN  79  23.072   3.146  -4.128
  633    H    LEU  80           H        LEU  80  17.906   4.481  -0.447
  634    HA   LEU  80           HA       LEU  80  17.481   7.221   0.297
  635    HB2  LEU  80           1HB      LEU  80  15.733   5.710  -0.663
  636    HB3  LEU  80           2HB      LEU  80  15.773   4.777   0.840
  637    HG   LEU  80           HG       LEU  80  14.999   6.742   2.121
  638   HD11  LEU  80          1HD1      LEU  80  14.631   8.044  -0.611
  639   HD12  LEU  80          2HD1      LEU  80  15.810   8.558   0.619
  640   HD13  LEU  80          3HD1      LEU  80  14.093   8.675   0.956
  641   HD21  LEU  80          3HD2      LEU  80  13.402   5.080   1.274
  642   HD22  LEU  80          1HD2      LEU  80  13.242   5.996  -0.242
  643   HD23  LEU  80          2HD2      LEU  80  12.691   6.704   1.293
  644    H    ILE  81           H        ILE  81  17.829   4.215   2.290
  645    HA   ILE  81           HA       ILE  81  17.570   5.487   4.825
  646    HB   ILE  81           HB       ILE  81  19.435   3.159   4.282
  647   HG12  ILE  81          1HG1      ILE  81  17.504   2.423   3.275
  648   HG13  ILE  81          2HG1      ILE  81  17.556   1.660   4.810
  649   HG21  ILE  81          1HG2      ILE  81  19.645   4.106   6.501
  650   HG22  ILE  81          2HG2      ILE  81  17.882   4.060   6.734
  651   HG23  ILE  81          3HG2      ILE  81  18.815   2.549   6.612
  652   HD11  ILE  81          3HD1      ILE  81  15.752   4.005   4.084
  653   HD12  ILE  81          1HD1      ILE  81  15.266   2.322   4.342
  654   HD13  ILE  81          2HD1      ILE  81  15.869   3.282   5.706
  655    H    LYS  82           H        LYS  82  20.489   4.845   2.863
  656    HA   LYS  82           HA       LYS  82  22.417   6.028   4.542
  657    HB2  LYS  82           1HB      LYS  82  22.769   4.597   2.520
  658    HB3  LYS  82           2HB      LYS  82  22.303   5.956   1.494
  659    HG2  LYS  82           1HG      LYS  82  24.261   7.249   2.385
  660    HG3  LYS  82           2HG      LYS  82  24.773   5.800   3.266
  661    HD2  LYS  82           1HD      LYS  82  24.352   5.984   0.243
  662    HD3  LYS  82           2HD      LYS  82  25.921   6.129   1.041
  663    HE2  LYS  82           1HE      LYS  82  25.871   3.856   1.810
  664    HE3  LYS  82           2HE      LYS  82  24.171   3.658   1.374
  665    HZ1  LYS  82           3HZ      LYS  82  25.696   2.665  -0.264
  666    HZ2  LYS  82           1HZ      LYS  82  26.305   4.138  -0.627
  667    HZ3  LYS  82           2HZ      LYS  82  24.724   3.788  -0.934
  668    H    HIS  83           H        HIS  83  20.448   7.622   2.002
  669    HA   HIS  83           HA       HIS  83  21.382  10.304   2.399
  670    HB2  HIS  83           1HB      HIS  83  20.147   9.778   0.448
  671    HB3  HIS  83           2HB      HIS  83  18.828   9.050   1.344
  672    HD1  HIS  83           1HD      HIS  83  20.233  12.582   0.668
  673    HD2  HIS  83           2HD      HIS  83  16.830  10.553   2.068
  674    HE1  HIS  83           1HE      HIS  83  18.428  14.351   0.890
  675    H    ILE  84           H        ILE  84  18.645   8.592   4.023
  676    HA   ILE  84           HA       ILE  84  17.938  10.845   5.666
  677    HB   ILE  84           HB       ILE  84  17.504   7.862   5.912
  678   HG12  ILE  84          1HG1      ILE  84  15.463  10.062   5.394
  679   HG13  ILE  84          2HG1      ILE  84  16.385   9.337   4.085
  680   HG21  ILE  84          1HG2      ILE  84  16.387  10.043   7.735
  681   HG22  ILE  84          2HG2      ILE  84  15.830   8.358   7.704
  682   HG23  ILE  84          3HG2      ILE  84  17.471   8.725   8.215
  683   HD11  ILE  84          3HD1      ILE  84  14.498   7.847   5.931
  684   HD12  ILE  84          1HD1      ILE  84  14.281   8.215   4.207
  685   HD13  ILE  84          2HD1      ILE  84  15.560   7.089   4.722
  686    H    ARG  85           H        ARG  85  20.178   8.140   6.264
  687    HA   ARG  85           HA       ARG  85  21.104   8.997   8.852
  688    HB2  ARG  85           1HB      ARG  85  22.402   7.303   6.674
  689    HB3  ARG  85           2HB      ARG  85  23.114   7.558   8.267
  690    HG2  ARG  85           1HG      ARG  85  21.122   6.607   9.354
  691    HG3  ARG  85           2HG      ARG  85  20.363   6.337   7.788
  692    HD2  ARG  85           1HD      ARG  85  21.296   4.240   8.530
  693    HD3  ARG  85           2HD      ARG  85  22.196   4.813   7.132
  694    HE   ARG  85           HE       ARG  85  24.108   5.056   8.429
  695   HH11  ARG  85          2HH1      ARG  85  21.456   4.490  10.654
  696   HH12  ARG  85          1HH1      ARG  85  22.529   4.287  12.012
  697   HH21  ARG  85          2HH2      ARG  85  25.405   4.793  10.202
  698   HH22  ARG  85          1HH2      ARG  85  24.702   4.454  11.755
  699    H    ASP  86           H        ASP  86  21.945  10.236   5.726
  700    HA   ASP  86           HA       ASP  86  24.308  11.701   6.789
  701    HB2  ASP  86           1HB      ASP  86  23.168  11.332   4.002
  702    HB3  ASP  86           2HB      ASP  86  24.469  12.456   4.369
  703    H    ALA  87           H        ALA  87  21.118  12.492   5.369
  704    HA   ALA  87           HA       ALA  87  21.626  15.387   5.793
  705    HB1  ALA  87           1HB      ALA  87  21.121  14.541   3.526
  706    HB2  ALA  87           2HB      ALA  87  19.557  13.923   4.107
  707    HB3  ALA  87           3HB      ALA  87  19.879  15.668   4.106
  708    H    HIS  88           H        HIS  88  19.473  12.846   6.961
  709    HA   HIS  88           HA       HIS  88  17.875  14.848   8.501
  710    HB2  HIS  88           1HB      HIS  88  16.901  12.235   7.325
  711    HB3  HIS  88           2HB      HIS  88  15.943  13.482   8.104
  712    HD1  HIS  88           1HD      HIS  88  16.536  16.053   6.523
  713    HD2  HIS  88           2HD      HIS  88  16.399  12.215   4.830
  714    HE1  HIS  88           1HE      HIS  88  16.049  16.405   4.050
  715    H    ASP  89           H        ASP  89  20.281  13.365   9.307
  716    HA   ASP  89           HA       ASP  89  19.893  11.051  10.653
  717    HB2  ASP  89           1HB      ASP  89  22.025  11.400  11.676
  718    HB3  ASP  89           2HB      ASP  89  22.042  12.029  10.033
  719    HA   PRO  90           HA       PRO  90  17.959  12.120  14.585
  720    HB2  PRO  90           1HB      PRO  90  17.959   9.698  15.798
  721    HB3  PRO  90           2HB      PRO  90  16.959  10.035  14.350
  722    HG2  PRO  90           1HG      PRO  90  19.664   8.664  14.471
  723    HG3  PRO  90           2HG      PRO  90  18.194   8.139  13.591
  724    HD2  PRO  90           1HD      PRO  90  20.257   9.550  12.415
  725    HD3  PRO  90           2HD      PRO  90  18.558   9.696  11.872
  726    H    GLN  91           H        GLN  91  18.561  12.653  16.661
  727    HA   GLN  91           HA       GLN  91  21.299  11.980  17.640
  728    HB2  GLN  91           1HB      GLN  91  20.023  14.735  17.448
  729    HB3  GLN  91           2HB      GLN  91  21.462  14.403  18.405
  730    HG2  GLN  91           1HG      GLN  91  21.254  13.996  15.391
  731    HG3  GLN  91           2HG      GLN  91  21.997  15.367  16.191
  732   HE21  GLN  91          1HE2      GLN  91  23.299  13.471  14.337
  733   HE22  GLN  91          2HE2      GLN  91  24.635  12.791  15.276
  734    H    ASP  92           H        ASP  92  18.438  11.130  18.333
  735    HA   ASP  92           HA       ASP  92  18.761  11.210  21.270
  736    HB2  ASP  92           1HB      ASP  92  17.293  13.121  20.770
  737    HB3  ASP  92           2HB      ASP  92  16.215  12.080  19.848
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1  28.761 -14.320  25.077
    2    H2   GLY   1           2H       GLY   1  27.846 -15.305  26.015
    3    H3   GLY   1           3H       GLY   1  28.579 -13.997  26.673
    4    HA2  GLY   1           1HA      GLY   1  27.220 -12.495  25.375
    5    HA3  GLY   1           2HA      GLY   1  26.440 -13.909  24.641
    6    H    SER   2           H        SER   2  25.290 -11.683  26.258
    7    HA   SER   2           HA       SER   2  24.506 -12.807  28.837
    8    HB2  SER   2           1HB      SER   2  23.193 -10.710  29.010
    9    HB3  SER   2           2HB      SER   2  24.903 -10.441  28.632
   10    HG   SER   2           HG       SER   2  23.504  -9.173  27.310
   11    H    SER   3           H        SER   3  23.284 -13.217  25.685
   12    HA   SER   3           HA       SER   3  20.872 -14.595  26.689
   13    HB2  SER   3           1HB      SER   3  20.246 -12.203  26.118
   14    HB3  SER   3           2HB      SER   3  20.678 -12.565  24.436
   15    HG   SER   3           HG       SER   3  18.446 -12.883  24.860
   16    H    GLY   4           H        GLY   4  19.758 -15.633  24.659
   17    HA2  GLY   4           1HA      GLY   4  19.818 -17.080  22.858
   18    HA3  GLY   4           2HA      GLY   4  21.418 -16.468  22.445
   19    H    SER   5           H        SER   5  22.791 -17.234  24.873
   20    HA   SER   5           HA       SER   5  23.154 -20.104  24.559
   21    HB2  SER   5           1HB      SER   5  24.205 -18.218  26.702
   22    HB3  SER   5           2HB      SER   5  24.777 -19.866  26.379
   23    HG   SER   5           HG       SER   5  26.107 -18.318  25.357
   24    H    SER   6           H        SER   6  21.145 -18.153  26.627
   25    HA   SER   6           HA       SER   6  20.687 -20.157  28.698
   26    HB2  SER   6           1HB      SER   6  19.205 -17.572  28.092
   27    HB3  SER   6           2HB      SER   6  19.092 -18.529  29.580
   28    HG   SER   6           HG       SER   6  20.555 -16.785  29.816
   29    H    GLY   7           H        GLY   7  18.472 -20.877  29.276
   30    HA2  GLY   7           1HA      GLY   7  17.027 -22.213  27.208
   31    HA3  GLY   7           2HA      GLY   7  16.452 -21.922  28.850
   32    H    LYS   8           H        LYS   8  14.902 -21.856  26.422
   33    HA   LYS   8           HA       LYS   8  13.561 -20.637  25.047
   34    HB2  LYS   8           1HB      LYS   8  13.226 -18.960  27.544
   35    HB3  LYS   8           2HB      LYS   8  12.204 -18.863  26.104
   36    HG2  LYS   8           1HG      LYS   8  11.570 -21.239  26.356
   37    HG3  LYS   8           2HG      LYS   8  12.566 -21.356  27.821
   38    HD2  LYS   8           1HD      LYS   8  11.183 -19.623  28.918
   39    HD3  LYS   8           2HD      LYS   8  10.192 -19.474  27.451
   40    HE2  LYS   8           1HE      LYS   8   9.556 -21.874  27.648
   41    HE3  LYS   8           2HE      LYS   8  10.529 -22.010  29.119
   42    HZ1  LYS   8           3HZ      LYS   8   9.067 -20.356  30.157
   43    HZ2  LYS   8           1HZ      LYS   8   8.186 -21.624  29.635
   44    HZ3  LYS   8           2HZ      LYS   8   8.171 -20.226  28.796
   45    HA   PRO   9           HA       PRO   9  17.146 -17.722  24.131
   46    HB2  PRO   9           1HB      PRO   9  17.548 -18.655  21.517
   47    HB3  PRO   9           2HB      PRO   9  18.342 -19.253  22.984
   48    HG2  PRO   9           1HG      PRO   9  15.967 -20.436  21.596
   49    HG3  PRO   9           2HG      PRO   9  17.414 -21.268  22.238
   50    HD2  PRO   9           1HD      PRO   9  15.107 -21.167  23.638
   51    HD3  PRO   9           2HD      PRO   9  16.680 -21.012  24.468
   52    H    TYR  10           H        TYR  10  14.246 -18.507  22.248
   53    HA   TYR  10           HA       TYR  10  14.451 -16.077  20.637
   54    HB2  TYR  10           1HB      TYR  10  12.297 -18.201  20.827
   55    HB3  TYR  10           2HB      TYR  10  12.361 -16.896  19.643
   56    HD1  TYR  10           1HD      TYR  10  13.879 -20.075  20.747
   57    HD2  TYR  10           2HD      TYR  10  14.047 -16.909  17.831
   58    HE1  TYR  10           1HE      TYR  10  15.269 -21.511  19.296
   59    HE2  TYR  10           2HE      TYR  10  15.482 -18.345  16.369
   60    HH   TYR  10           HH       TYR  10  16.409 -21.682  17.298
   61    H    LYS  11           H        LYS  11  14.121 -14.243  21.737
   62    HA   LYS  11           HA       LYS  11  11.890 -13.949  23.716
   63    HB2  LYS  11           1HB      LYS  11  14.356 -12.251  23.158
   64    HB3  LYS  11           2HB      LYS  11  13.012 -11.706  24.144
   65    HG2  LYS  11           1HG      LYS  11  14.647 -12.423  25.641
   66    HG3  LYS  11           2HG      LYS  11  13.359 -13.624  25.700
   67    HD2  LYS  11           1HD      LYS  11  14.709 -15.194  24.395
   68    HD3  LYS  11           2HD      LYS  11  15.912 -13.937  24.067
   69    HE2  LYS  11           1HE      LYS  11  16.864 -15.297  25.736
   70    HE3  LYS  11           2HE      LYS  11  16.374 -13.810  26.546
   71    HZ1  LYS  11           3HZ      LYS  11  15.742 -15.816  27.800
   72    HZ2  LYS  11           1HZ      LYS  11  14.839 -16.359  26.548
   73    HZ3  LYS  11           2HZ      LYS  11  14.398 -14.997  27.362
   74    H    CYS  12           H        CYS  12  10.370 -12.301  23.594
   75    HA   CYS  12           HA       CYS  12   9.656 -11.321  20.958
   76    HB2  CYS  12           1HB      CYS  12   7.997 -12.078  22.510
   77    HB3  CYS  12           2HB      CYS  12   8.519 -10.896  23.722
   78    HA   PRO  13           HA       PRO  13  11.926  -7.440  21.524
   79    HB2  PRO  13           1HB      PRO  13  11.167  -6.142  19.257
   80    HB3  PRO  13           2HB      PRO  13  12.234  -7.580  19.219
   81    HG2  PRO  13           1HG      PRO  13   9.250  -7.446  18.726
   82    HG3  PRO  13           2HG      PRO  13  10.494  -8.303  17.768
   83    HD2  PRO  13           1HD      PRO  13   8.938  -9.509  19.726
   84    HD3  PRO  13           2HD      PRO  13  10.578 -10.072  19.297
   85    H    GLN  14           H        GLN  14   8.512  -7.879  21.684
   86    HA   GLN  14           HA       GLN  14   8.013  -4.996  22.311
   87    HB2  GLN  14           1HB      GLN  14   6.000  -7.099  21.458
   88    HB3  GLN  14           2HB      GLN  14   5.734  -5.376  21.689
   89    HG2  GLN  14           1HG      GLN  14   7.747  -5.235  19.889
   90    HG3  GLN  14           2HG      GLN  14   7.160  -6.843  19.484
   91   HE21  GLN  14          1HE2      GLN  14   6.525  -6.092  17.346
   92   HE22  GLN  14          2HE2      GLN  14   5.117  -5.057  17.162
   93    H    CYS  15           H        CYS  15   7.750  -8.262  23.699
   94    HA   CYS  15           HA       CYS  15   7.085  -6.972  26.287
   95    HB2  CYS  15           1HB      CYS  15   5.201  -8.364  26.741
   96    HB3  CYS  15           2HB      CYS  15   4.925  -7.531  25.220
   97    H    SER  16           H        SER  16   6.851  -8.897  27.994
   98    HA   SER  16           HA       SER  16   9.525  -9.882  28.333
   99    HB2  SER  16           1HB      SER  16   7.030 -10.535  29.940
  100    HB3  SER  16           2HB      SER  16   8.713 -10.746  30.462
  101    HG   SER  16           HG       SER  16   7.798  -8.797  31.263
  102    H    TYR  17           H        TYR  17   7.231 -11.241  26.376
  103    HA   TYR  17           HA       TYR  17   7.205 -13.999  27.048
  104    HB2  TYR  17           1HB      TYR  17   5.620 -12.957  25.539
  105    HB3  TYR  17           2HB      TYR  17   6.890 -12.532  24.410
  106    HD1  TYR  17           1HD      TYR  17   4.911 -15.313  25.898
  107    HD2  TYR  17           2HD      TYR  17   7.744 -14.237  22.823
  108    HE1  TYR  17           1HE      TYR  17   4.463 -17.465  24.717
  109    HE2  TYR  17           2HE      TYR  17   7.273 -16.373  21.641
  110    HH   TYR  17           HH       TYR  17   5.863 -18.182  21.519
  111    H    ALA  18           H        ALA  18   8.303 -15.763  26.337
  112    HA   ALA  18           HA       ALA  18  10.368 -15.586  24.333
  113    HB1  ALA  18           1HB      ALA  18  11.616 -14.981  26.430
  114    HB2  ALA  18           2HB      ALA  18  11.159 -16.552  27.119
  115    HB3  ALA  18           3HB      ALA  18  12.196 -16.476  25.674
  116    H    SER  19           H        SER  19  11.040 -17.665  23.531
  117    HA   SER  19           HA       SER  19   9.809 -20.097  24.659
  118    HB2  SER  19           1HB      SER  19   8.187 -19.106  22.949
  119    HB3  SER  19           2HB      SER  19   9.404 -19.485  21.716
  120    HG   SER  19           HG       SER  19   8.022 -21.244  23.489
  121    H    ALA  20           H        ALA  20  10.582 -22.080  23.527
  122    HA   ALA  20           HA       ALA  20  13.454 -21.937  22.935
  123    HB1  ALA  20           1HB      ALA  20  11.600 -24.312  23.314
  124    HB2  ALA  20           2HB      ALA  20  13.375 -24.362  23.228
  125    HB3  ALA  20           3HB      ALA  20  12.582 -23.544  24.586
  126    H    ILE  21           H        ILE  21  10.809 -21.585  20.992
  127    HA   ILE  21           HA       ILE  21  12.093 -22.873  18.611
  128    HB   ILE  21           HB       ILE  21   9.166 -22.938  19.422
  129   HG12  ILE  21          1HG1      ILE  21  11.255 -25.163  19.325
  130   HG13  ILE  21          2HG1      ILE  21  10.482 -24.511  20.770
  131   HG21  ILE  21          1HG2      ILE  21  10.502 -24.186  16.986
  132   HG22  ILE  21          2HG2      ILE  21   8.787 -24.335  17.442
  133   HG23  ILE  21          3HG2      ILE  21   9.412 -22.780  16.984
  134   HD11  ILE  21          3HD1      ILE  21   8.271 -25.362  19.925
  135   HD12  ILE  21          1HD1      ILE  21   9.166 -26.215  18.641
  136   HD13  ILE  21          2HD1      ILE  21   9.470 -26.604  20.337
  137    H    LYS  22           H        LYS  22  12.194 -21.616  16.818
  138    HA   LYS  22           HA       LYS  22  11.541 -18.842  16.864
  139    HB2  LYS  22           1HB      LYS  22  13.325 -19.847  15.486
  140    HB3  LYS  22           2HB      LYS  22  12.133 -20.689  14.508
  141    HG2  LYS  22           1HG      LYS  22  13.072 -18.699  13.399
  142    HG3  LYS  22           2HG      LYS  22  11.317 -18.607  13.571
  143    HD2  LYS  22           1HD      LYS  22  11.496 -16.982  15.366
  144    HD3  LYS  22           2HD      LYS  22  13.232 -17.264  15.519
  145    HE2  LYS  22           1HE      LYS  22  12.772 -15.137  14.421
  146    HE3  LYS  22           2HE      LYS  22  13.677 -16.229  13.373
  147    HZ1  LYS  22           3HZ      LYS  22  10.723 -15.889  13.187
  148    HZ2  LYS  22           1HZ      LYS  22  11.689 -16.669  12.128
  149    HZ3  LYS  22           2HZ      LYS  22  11.791 -15.050  12.267
  150    H    ALA  23           H        ALA  23   9.737 -21.559  15.396
  151    HA   ALA  23           HA       ALA  23   7.627 -20.049  14.258
  152    HB1  ALA  23           1HB      ALA  23   7.533 -22.852  15.455
  153    HB2  ALA  23           2HB      ALA  23   6.383 -22.156  14.298
  154    HB3  ALA  23           3HB      ALA  23   8.062 -22.439  13.805
  155    H    ASN  24           H        ASN  24   8.051 -21.104  17.656
  156    HA   ASN  24           HA       ASN  24   5.418 -20.200  18.506
  157    HB2  ASN  24           1HB      ASN  24   7.995 -20.833  20.023
  158    HB3  ASN  24           2HB      ASN  24   6.495 -20.386  20.802
  159   HD21  ASN  24          1HD2      ASN  24   7.465 -22.577  21.680
  160   HD22  ASN  24          2HD2      ASN  24   6.577 -23.980  21.068
  161    H    LEU  25           H        LEU  25   8.537 -18.565  18.088
  162    HA   LEU  25           HA       LEU  25   7.561 -16.115  19.362
  163    HB2  LEU  25           1HB      LEU  25   9.942 -16.578  19.350
  164    HB3  LEU  25           2HB      LEU  25   9.965 -16.637  17.585
  165    HG   LEU  25           HG       LEU  25   9.348 -14.251  17.465
  166   HD11  LEU  25          1HD1      LEU  25   9.410 -12.837  19.476
  167   HD12  LEU  25          2HD1      LEU  25   9.530 -14.277  20.514
  168   HD13  LEU  25          3HD1      LEU  25   8.063 -13.962  19.558
  169   HD21  LEU  25          3HD2      LEU  25  11.448 -13.325  18.237
  170   HD22  LEU  25          1HD2      LEU  25  11.734 -14.939  17.564
  171   HD23  LEU  25          2HD2      LEU  25  11.704 -14.695  19.329
  172    H    ASN  26           H        ASN  26   7.915 -17.247  15.940
  173    HA   ASN  26           HA       ASN  26   6.850 -14.996  14.631
  174    HB2  ASN  26           1HB      ASN  26   6.222 -17.925  14.008
  175    HB3  ASN  26           2HB      ASN  26   6.008 -16.579  12.908
  176   HD21  ASN  26          1HD2      ASN  26   7.321 -18.827  12.259
  177   HD22  ASN  26          2HD2      ASN  26   9.015 -18.434  11.954
  178    H    VAL  27           H        VAL  27   5.023 -17.773  16.001
  179    HA   VAL  27           HA       VAL  27   2.474 -16.806  15.254
  180    HB   VAL  27           HB       VAL  27   3.351 -19.149  16.121
  181   HG11  VAL  27          1HG1      VAL  27   2.507 -19.874  18.216
  182   HG12  VAL  27          2HG1      VAL  27   3.656 -18.563  18.474
  183   HG13  VAL  27          3HG1      VAL  27   1.909 -18.251  18.616
  184   HG21  VAL  27          3HG2      VAL  27   1.285 -18.702  14.947
  185   HG22  VAL  27          1HG2      VAL  27   0.973 -19.804  16.302
  186   HG23  VAL  27          2HG2      VAL  27   0.545 -18.074  16.451
  187    H    HIS  28           H        HIS  28   4.345 -16.301  18.132
  188    HA   HIS  28           HA       HIS  28   2.360 -15.020  19.698
  189    HB2  HIS  28           1HB      HIS  28   4.345 -16.011  20.645
  190    HB3  HIS  28           2HB      HIS  28   5.402 -14.952  19.730
  191    HD1  HIS  28           1HD      HIS  28   3.016 -14.662  22.740
  192    HD2  HIS  28           2HD      HIS  28   5.849 -12.490  20.523
  193    HE1  HIS  28           1HE      HIS  28   3.315 -12.461  23.967
  194    H    LEU  29           H        LEU  29   4.772 -13.706  17.413
  195    HA   LEU  29           HA       LEU  29   4.355 -10.934  17.975
  196    HB2  LEU  29           1HB      LEU  29   5.290 -12.350  15.466
  197    HB3  LEU  29           2HB      LEU  29   5.370 -10.608  15.677
  198    HG   LEU  29           HG       LEU  29   6.781 -12.529  17.557
  199   HD11  LEU  29          1HD1      LEU  29   7.633 -12.856  15.259
  200   HD12  LEU  29          2HD1      LEU  29   8.833 -12.048  16.275
  201   HD13  LEU  29          3HD1      LEU  29   7.888 -11.104  15.101
  202   HD21  LEU  29          3HD2      LEU  29   7.154  -9.568  17.008
  203   HD22  LEU  29          1HD2      LEU  29   8.196 -10.587  18.022
  204   HD23  LEU  29          2HD2      LEU  29   6.522 -10.313  18.502
  205    H    ARG  30           H        ARG  30   2.497 -13.154  15.991
  206    HA   ARG  30           HA       ARG  30   0.968 -11.397  14.401
  207    HB2  ARG  30           1HB      ARG  30   0.012 -13.925  15.814
  208    HB3  ARG  30           2HB      ARG  30  -0.810 -13.137  14.481
  209    HG2  ARG  30           1HG      ARG  30   1.133 -13.566  12.991
  210    HG3  ARG  30           2HG      ARG  30   1.968 -14.358  14.332
  211    HD2  ARG  30           1HD      ARG  30   1.013 -16.074  12.956
  212    HD3  ARG  30           2HD      ARG  30   0.138 -16.026  14.497
  213    HE   ARG  30           HE       ARG  30  -1.124 -14.393  12.443
  214   HH11  ARG  30          2HH1      ARG  30  -0.910 -17.729  13.500
  215   HH12  ARG  30          1HH1      ARG  30  -2.455 -18.138  12.806
  216   HH21  ARG  30          2HH2      ARG  30  -3.088 -14.986  11.593
  217   HH22  ARG  30          1HH2      ARG  30  -3.644 -16.625  11.752
  218    H    LYS  31           H        LYS  31   0.782 -11.807  17.837
  219    HA   LYS  31           HA       LYS  31  -1.855 -10.547  18.113
  220    HB2  LYS  31           1HB      LYS  31   0.199 -11.115  20.297
  221    HB3  LYS  31           2HB      LYS  31  -1.542 -10.877  20.504
  222    HG2  LYS  31           1HG      LYS  31  -1.955 -12.998  19.237
  223    HG3  LYS  31           2HG      LYS  31  -0.205 -13.211  19.069
  224    HD2  LYS  31           1HD      LYS  31  -0.145 -13.054  21.685
  225    HD3  LYS  31           2HD      LYS  31  -1.890 -13.412  21.568
  226    HE2  LYS  31           1HE      LYS  31  -1.257 -15.343  20.030
  227    HE3  LYS  31           2HE      LYS  31   0.436 -14.973  20.370
  228    HZ1  LYS  31           3HZ      LYS  31  -1.601 -15.802  22.393
  229    HZ2  LYS  31           1HZ      LYS  31  -0.050 -15.443  22.753
  230    HZ3  LYS  31           2HZ      LYS  31  -0.400 -16.752  21.838
  231    H    HIS  32           H        HIS  32   1.428  -9.515  18.173
  232    HA   HIS  32           HA       HIS  32   0.802  -6.789  19.118
  233    HB2  HIS  32           1HB      HIS  32   3.363  -7.948  17.961
  234    HB3  HIS  32           2HB      HIS  32   3.166  -6.352  18.673
  235    HD1  HIS  32           1HD      HIS  32   1.937  -6.730  21.397
  236    HD2  HIS  32           2HD      HIS  32   4.601  -9.473  19.658
  237    HE1  HIS  32           1HE      HIS  32   2.913  -8.047  23.327
  238    H    THR  33           H        THR  33   0.475  -8.399  16.131
  239    HA   THR  33           HA       THR  33   0.518  -5.861  14.557
  240    HB   THR  33           HB       THR  33   0.683  -7.180  12.586
  241    HG1  THR  33           1HG      THR  33   0.776  -9.420  12.670
  242   HG21  THR  33          3HG2      THR  33   2.830  -8.238  12.871
  243   HG22  THR  33          1HG2      THR  33   2.572  -8.380  14.622
  244   HG23  THR  33          2HG2      THR  33   2.774  -6.775  13.882
  245    H    GLY  34           H        GLY  34  -1.310  -7.301  12.542
  246    HA2  GLY  34           1HA      GLY  34  -3.542  -8.009  12.434
  247    HA3  GLY  34           2HA      GLY  34  -3.853  -7.382  14.045
  248    H    GLU  35           H        GLU  35  -2.260  -5.334  11.672
  249    HA   GLU  35           HA       GLU  35  -4.776  -3.846  11.075
  250    HB2  GLU  35           1HB      GLU  35  -3.328  -2.554  12.570
  251    HB3  GLU  35           2HB      GLU  35  -1.964  -2.798  11.483
  252    HG2  GLU  35           1HG      GLU  35  -2.826  -0.579  11.218
  253    HG3  GLU  35           2HG      GLU  35  -3.095  -1.466   9.730
  254    H    LYS  36           H        LYS  36  -5.116  -3.215   8.945
  255    HA   LYS  36           HA       LYS  36  -3.634  -4.866   6.971
  256    HB2  LYS  36           1HB      LYS  36  -6.163  -3.218   6.702
  257    HB3  LYS  36           2HB      LYS  36  -5.308  -3.986   5.350
  258    HG2  LYS  36           1HG      LYS  36  -5.445  -6.185   6.629
  259    HG3  LYS  36           2HG      LYS  36  -6.566  -5.387   7.745
  260    HD2  LYS  36           1HD      LYS  36  -8.122  -4.924   5.908
  261    HD3  LYS  36           2HD      LYS  36  -6.950  -5.547   4.720
  262    HE2  LYS  36           1HE      LYS  36  -7.051  -7.781   5.726
  263    HE3  LYS  36           2HE      LYS  36  -8.165  -7.200   6.976
  264    HZ1  LYS  36           3HZ      LYS  36  -8.757  -7.256   4.061
  265    HZ2  LYS  36           1HZ      LYS  36  -9.783  -6.720   5.215
  266    HZ3  LYS  36           2HZ      LYS  36  -9.360  -8.294   5.165
  267    H    PHE  37           H        PHE  37  -1.847  -4.255   6.402
  268    HA   PHE  37           HA       PHE  37  -1.371  -1.476   5.412
  269    HB2  PHE  37           1HB      PHE  37   0.682  -3.670   5.780
  270    HB3  PHE  37           2HB      PHE  37   0.950  -1.946   5.499
  271    HD1  PHE  37           2HD      PHE  37   0.528  -0.285   7.334
  272    HD2  PHE  37           1HD      PHE  37   0.246  -4.538   7.962
  273    HE1  PHE  37           2HE      PHE  37   0.580   0.071   9.783
  274    HE2  PHE  37           1HE      PHE  37   0.318  -4.191  10.398
  275    HZ   PHE  37           HZ       PHE  37   0.406  -1.882  11.336
  276    H    ALA  38           H        ALA  38  -1.635  -1.154   3.330
  277    HA   ALA  38           HA       ALA  38  -1.606  -3.355   1.357
  278    HB1  ALA  38           1HB      ALA  38  -2.512  -1.688  -0.179
  279    HB2  ALA  38           2HB      ALA  38  -3.446  -1.678   1.332
  280    HB3  ALA  38           3HB      ALA  38  -2.250  -0.400   1.012
  281    H    CYS  39           H        CYS  39  -0.245  -3.526  -0.431
  282    HA   CYS  39           HA       CYS  39   2.413  -2.415  -0.232
  283    HB2  CYS  39           1HB      CYS  39   1.902  -4.599  -1.077
  284    HB3  CYS  39           2HB      CYS  39   0.877  -3.946  -2.347
  285    H    ASP  40           H        ASP  40   3.396  -0.863  -1.362
  286    HA   ASP  40           HA       ASP  40   1.733   1.299  -2.474
  287    HB2  ASP  40           1HB      ASP  40   3.640   1.670  -0.866
  288    HB3  ASP  40           2HB      ASP  40   4.749   1.153  -2.134
  289    H    TYR  41           H        TYR  41   3.013  -1.519  -3.715
  290    HA   TYR  41           HA       TYR  41   3.614  -0.358  -6.420
  291    HB2  TYR  41           1HB      TYR  41   4.802  -2.786  -5.042
  292    HB3  TYR  41           2HB      TYR  41   5.164  -2.230  -6.656
  293    HD1  TYR  41           2HD      TYR  41   5.514  -1.634  -3.052
  294    HD2  TYR  41           1HD      TYR  41   6.631  -0.237  -6.969
  295    HE1  TYR  41           2HE      TYR  41   7.320  -0.219  -2.036
  296    HE2  TYR  41           1HE      TYR  41   8.431   1.168  -5.963
  297    HH   TYR  41           HH       TYR  41   9.476   1.828  -4.033
  298    H    CYS  42           H        CYS  42   1.840  -2.858  -4.692
  299    HA   CYS  42           HA       CYS  42   0.265  -3.298  -7.151
  300    HB2  CYS  42           1HB      CYS  42   0.230  -5.719  -6.958
  301    HB3  CYS  42           2HB      CYS  42   1.875  -5.129  -7.229
  302    H    SER  43           H        SER  43  -1.630  -4.914  -6.544
  303    HA   SER  43           HA       SER  43  -3.272  -3.599  -4.566
  304    HB2  SER  43           1HB      SER  43  -3.796  -6.164  -6.110
  305    HB3  SER  43           2HB      SER  43  -5.000  -5.162  -5.277
  306    HG   SER  43           HG       SER  43  -4.921  -4.722  -7.530
  307    H    PHE  44           H        PHE  44  -0.822  -5.679  -3.881
  308    HA   PHE  44           HA       PHE  44  -1.954  -7.677  -2.238
  309    HB2  PHE  44           1HB      PHE  44   0.292  -7.738  -3.027
  310    HB3  PHE  44           2HB      PHE  44   0.734  -6.297  -2.141
  311    HD1  PHE  44           2HD      PHE  44  -0.123  -9.909  -1.814
  312    HD2  PHE  44           1HD      PHE  44   1.387  -6.398   0.174
  313    HE1  PHE  44           2HE      PHE  44   0.679 -11.315   0.073
  314    HE2  PHE  44           1HE      PHE  44   2.204  -7.806   2.050
  315    HZ   PHE  44           HZ       PHE  44   1.849 -10.264   2.002
  316    H    THR  45           H        THR  45  -2.173  -7.881  -0.043
  317    HA   THR  45           HA       THR  45  -1.812  -5.586   1.760
  318    HB   THR  45           HB       THR  45  -4.019  -6.008   2.831
  319    HG1  THR  45           1HG      THR  45  -4.513  -8.016   1.817
  320   HG21  THR  45          3HG2      THR  45  -5.338  -4.686   1.249
  321   HG22  THR  45          1HG2      THR  45  -4.121  -4.983  -0.019
  322   HG23  THR  45          2HG2      THR  45  -3.688  -4.078   1.453
  323    H    CYS  46           H        CYS  46  -1.562  -6.098   3.900
  324    HA   CYS  46           HA       CYS  46  -1.750  -8.926   4.752
  325    HB2  CYS  46           1HB      CYS  46   0.547  -8.583   3.739
  326    HB3  CYS  46           2HB      CYS  46   0.883  -7.406   5.022
  327    HG   CYS  46           HG       CYS  46  -0.082 -10.589   5.316
  328    H    LEU  47           H        LEU  47  -1.762  -9.246   6.984
  329    HA   LEU  47           HA       LEU  47  -2.692  -7.019   8.624
  330    HB2  LEU  47           1HB      LEU  47  -2.397 -10.006   9.045
  331    HB3  LEU  47           2HB      LEU  47  -2.798  -8.936  10.365
  332    HG   LEU  47           HG       LEU  47  -4.766 -10.019   9.506
  333   HD11  LEU  47          1HD1      LEU  47  -4.847  -7.039   8.895
  334   HD12  LEU  47          2HD1      LEU  47  -5.016  -7.789  10.495
  335   HD13  LEU  47          3HD1      LEU  47  -6.231  -8.090   9.249
  336   HD21  LEU  47          3HD2      LEU  47  -5.753  -9.608   7.362
  337   HD22  LEU  47          1HD2      LEU  47  -4.119 -10.237   7.110
  338   HD23  LEU  47          2HD2      LEU  47  -4.454  -8.498   6.895
  339    H    SER  48           H        SER  48   0.363  -7.962   7.801
  340    HA   SER  48           HA       SER  48   1.569  -6.730  10.238
  341    HB2  SER  48           1HB      SER  48   1.973  -9.105  10.457
  342    HB3  SER  48           2HB      SER  48   2.549  -9.210   8.780
  343    HG   SER  48           HG       SER  48   4.215  -9.012  10.472
  344    H    LYS  49           H        LYS  49   2.659  -5.053   9.822
  345    HA   LYS  49           HA       LYS  49   3.516  -4.131   7.244
  346    HB2  LYS  49           1HB      LYS  49   4.975  -2.606   8.723
  347    HB3  LYS  49           2HB      LYS  49   3.221  -2.404   8.702
  348    HG2  LYS  49           1HG      LYS  49   3.067  -3.582  10.881
  349    HG3  LYS  49           2HG      LYS  49   4.829  -3.803  10.887
  350    HD2  LYS  49           1HD      LYS  49   5.173  -1.387  10.961
  351    HD3  LYS  49           2HD      LYS  49   3.434  -1.089  10.738
  352    HE2  LYS  49           1HE      LYS  49   2.937  -2.217  12.868
  353    HE3  LYS  49           2HE      LYS  49   4.657  -2.562  13.111
  354    HZ1  LYS  49           3HZ      LYS  49   3.472   0.164  12.964
  355    HZ2  LYS  49           1HZ      LYS  49   5.059  -0.156  13.190
  356    HZ3  LYS  49           2HZ      LYS  49   3.971  -0.573  14.332
  357    H    GLY  50           H        GLY  50   5.060  -6.138   9.680
  358    HA2  GLY  50           1HA      GLY  50   7.773  -5.929   8.688
  359    HA3  GLY  50           2HA      GLY  50   7.103  -7.152   9.771
  360    H    HIS  51           H        HIS  51   5.053  -8.216   8.031
  361    HA   HIS  51           HA       HIS  51   6.615  -9.747   6.095
  362    HB2  HIS  51           1HB      HIS  51   4.691 -10.723   7.285
  363    HB3  HIS  51           2HB      HIS  51   3.619  -9.558   6.494
  364    HD1  HIS  51           1HD      HIS  51   2.273 -11.062   4.855
  365    HD2  HIS  51           2HD      HIS  51   6.417 -11.741   4.790
  366    HE1  HIS  51           1HE      HIS  51   2.697 -12.689   2.933
  367    H    LEU  52           H        LEU  52   4.351  -6.952   5.860
  368    HA   LEU  52           HA       LEU  52   4.328  -6.790   3.039
  369    HB2  LEU  52           1HB      LEU  52   2.811  -5.519   4.502
  370    HB3  LEU  52           2HB      LEU  52   4.175  -4.582   5.124
  371    HG   LEU  52           HG       LEU  52   4.576  -3.625   2.866
  372   HD11  LEU  52          1HD1      LEU  52   3.652  -5.441   1.454
  373   HD12  LEU  52          2HD1      LEU  52   2.858  -3.915   1.125
  374   HD13  LEU  52          3HD1      LEU  52   2.025  -5.127   2.117
  375   HD21  LEU  52          3HD2      LEU  52   2.707  -2.130   2.859
  376   HD22  LEU  52          1HD2      LEU  52   3.061  -2.536   4.548
  377   HD23  LEU  52          2HD2      LEU  52   1.693  -3.309   3.710
  378    H    LYS  53           H        LYS  53   6.739  -5.466   5.352
  379    HA   LYS  53           HA       LYS  53   8.446  -4.182   3.448
  380    HB2  LYS  53           1HB      LYS  53   8.787  -3.802   5.763
  381    HB3  LYS  53           2HB      LYS  53   8.935  -5.520   6.132
  382    HG2  LYS  53           1HG      LYS  53  11.057  -5.694   4.991
  383    HG3  LYS  53           2HG      LYS  53  10.951  -4.043   4.390
  384    HD2  LYS  53           1HD      LYS  53  11.056  -4.874   7.327
  385    HD3  LYS  53           2HD      LYS  53  12.468  -4.379   6.398
  386    HE2  LYS  53           1HE      LYS  53  10.047  -2.605   6.981
  387    HE3  LYS  53           2HE      LYS  53  11.547  -2.606   7.905
  388    HZ1  LYS  53           3HZ      LYS  53  11.339  -1.888   5.028
  389    HZ2  LYS  53           1HZ      LYS  53  12.733  -1.929   5.886
  390    HZ3  LYS  53           2HZ      LYS  53  11.574  -0.847   6.258
  391    H    VAL  54           H        VAL  54   8.490  -7.591   4.580
  392    HA   VAL  54           HA       VAL  54  10.605  -8.411   2.847
  393    HB   VAL  54           HB       VAL  54   8.350 -10.040   4.090
  394   HG11  VAL  54          1HG1      VAL  54   9.836 -12.006   3.720
  395   HG12  VAL  54          2HG1      VAL  54   9.248 -11.308   2.210
  396   HG13  VAL  54          3HG1      VAL  54  10.912 -10.986   2.733
  397   HG21  VAL  54          3HG2      VAL  54  11.274  -9.670   4.855
  398   HG22  VAL  54          1HG2      VAL  54   9.894  -8.939   5.697
  399   HG23  VAL  54          2HG2      VAL  54  10.086 -10.696   5.697
  400    H    HIS  55           H        HIS  55   7.059  -8.371   2.295
  401    HA   HIS  55           HA       HIS  55   7.062  -9.543  -0.272
  402    HB2  HIS  55           1HB      HIS  55   4.977  -9.192   0.861
  403    HB3  HIS  55           2HB      HIS  55   5.279  -7.472   1.042
  404    HD1  HIS  55           1HD      HIS  55   4.160  -9.970  -1.639
  405    HD2  HIS  55           2HD      HIS  55   4.600  -5.841  -0.974
  406    HE1  HIS  55           1HE      HIS  55   3.086  -8.827  -3.631
  407    H    ILE  56           H        ILE  56   7.564  -6.072   0.576
  408    HA   ILE  56           HA       ILE  56   7.927  -5.312  -2.208
  409    HB   ILE  56           HB       ILE  56   8.643  -3.918   0.380
  410   HG12  ILE  56          1HG1      ILE  56   6.347  -3.330  -1.542
  411   HG13  ILE  56          2HG1      ILE  56   6.164  -4.385  -0.151
  412   HG21  ILE  56          1HG2      ILE  56   8.902  -1.876  -1.009
  413   HG22  ILE  56          2HG2      ILE  56  10.044  -3.113  -1.527
  414   HG23  ILE  56          3HG2      ILE  56   8.572  -2.825  -2.474
  415   HD11  ILE  56          3HD1      ILE  56   5.344  -2.206   0.419
  416   HD12  ILE  56          1HD1      ILE  56   6.788  -2.571   1.382
  417   HD13  ILE  56          2HD1      ILE  56   6.893  -1.447   0.003
  418    H    GLU  57           H        GLU  57  10.209  -6.209   0.377
  419    HA   GLU  57           HA       GLU  57  12.627  -5.739  -1.124
  420    HB2  GLU  57           1HB      GLU  57  11.947  -7.500   1.257
  421    HB3  GLU  57           2HB      GLU  57  13.590  -7.295   0.674
  422    HG2  GLU  57           1HG      GLU  57  11.934  -4.858   1.417
  423    HG3  GLU  57           2HG      GLU  57  12.702  -5.860   2.635
  424    H    ARG  58           H        ARG  58  10.368  -8.293  -1.290
  425    HA   ARG  58           HA       ARG  58  12.288  -9.998  -2.866
  426    HB2  ARG  58           1HB      ARG  58  11.140 -11.905  -2.342
  427    HB3  ARG  58           2HB      ARG  58  11.051 -10.943  -0.880
  428    HG2  ARG  58           1HG      ARG  58   8.722 -10.229  -1.627
  429    HG3  ARG  58           2HG      ARG  58   8.846 -11.482  -2.879
  430    HD2  ARG  58           1HD      ARG  58   9.203 -13.178  -1.087
  431    HD3  ARG  58           2HD      ARG  58   9.046 -11.890   0.119
  432    HE   ARG  58           HE       ARG  58   6.826 -12.453  -1.811
  433   HH11  ARG  58          2HH1      ARG  58   7.823 -12.539   1.555
  434   HH12  ARG  58          1HH1      ARG  58   6.166 -12.586   2.121
  435   HH21  ARG  58          2HH2      ARG  58   4.765 -12.709  -0.980
  436   HH22  ARG  58          1HH2      ARG  58   4.542 -12.724   0.747
  437    H    VAL  59           H        VAL  59   9.061  -8.515  -3.203
  438    HA   VAL  59           HA       VAL  59   8.930  -9.572  -5.920
  439    HB   VAL  59           HB       VAL  59   6.858  -7.863  -4.499
  440   HG11  VAL  59          1HG1      VAL  59   5.309  -8.779  -6.190
  441   HG12  VAL  59          2HG1      VAL  59   6.594  -7.854  -6.962
  442   HG13  VAL  59          3HG1      VAL  59   6.656  -9.630  -6.978
  443   HG21  VAL  59          3HG2      VAL  59   7.105 -10.892  -4.766
  444   HG22  VAL  59          1HG2      VAL  59   7.071  -9.935  -3.263
  445   HG23  VAL  59          2HG2      VAL  59   5.626 -10.048  -4.255
  446    H    HIS  60           H        HIS  60   9.003  -6.341  -4.362
  447    HA   HIS  60           HA       HIS  60   9.229  -5.049  -7.014
  448    HB2  HIS  60           1HB      HIS  60   8.419  -3.824  -4.395
  449    HB3  HIS  60           2HB      HIS  60   8.256  -3.111  -5.999
  450    HD1  HIS  60           1HD      HIS  60   6.511  -4.729  -7.681
  451    HD2  HIS  60           2HD      HIS  60   6.320  -4.976  -3.492
  452    HE1  HIS  60           1HE      HIS  60   4.232  -5.724  -7.148
  453    H    LYS  61           H        LYS  61  11.473  -6.122  -5.241
  454    HA   LYS  61           HA       LYS  61  13.188  -3.904  -4.566
  455    HB2  LYS  61           1HB      LYS  61  13.294  -6.081  -3.554
  456    HB3  LYS  61           2HB      LYS  61  13.750  -6.860  -5.052
  457    HG2  LYS  61           1HG      LYS  61  15.420  -4.744  -3.606
  458    HG3  LYS  61           2HG      LYS  61  15.556  -6.468  -3.307
  459    HD2  LYS  61           1HD      LYS  61  16.325  -5.008  -5.849
  460    HD3  LYS  61           2HD      LYS  61  17.362  -5.844  -4.699
  461    HE2  LYS  61           1HE      LYS  61  16.147  -7.997  -5.291
  462    HE3  LYS  61           2HE      LYS  61  15.307  -7.100  -6.568
  463    HZ1  LYS  61           3HZ      LYS  61  17.470  -6.637  -7.582
  464    HZ2  LYS  61           1HZ      LYS  61  17.277  -8.245  -7.414
  465    HZ3  LYS  61           2HZ      LYS  61  18.256  -7.442  -6.391
  466    H    LYS  62           H        LYS  62  14.283  -2.613  -5.812
  467    HA   LYS  62           HA       LYS  62  14.871  -1.466  -7.682
  468    HB2  LYS  62           1HB      LYS  62  16.308  -4.078  -8.244
  469    HB3  LYS  62           2HB      LYS  62  16.531  -2.603  -9.198
  470    HG2  LYS  62           1HG      LYS  62  17.181  -1.351  -7.176
  471    HG3  LYS  62           2HG      LYS  62  17.061  -2.829  -6.205
  472    HD2  LYS  62           1HD      LYS  62  18.789  -3.906  -7.624
  473    HD3  LYS  62           2HD      LYS  62  18.910  -2.447  -8.610
  474    HE2  LYS  62           1HE      LYS  62  19.593  -2.667  -5.641
  475    HE3  LYS  62           2HE      LYS  62  20.746  -2.635  -6.980
  476    HZ1  LYS  62           3HZ      LYS  62  20.610  -0.432  -6.148
  477    HZ2  LYS  62           1HZ      LYS  62  18.977  -0.415  -6.140
  478    HZ3  LYS  62           2HZ      LYS  62  19.770  -0.401  -7.563
  479    H    ILE  63           H        ILE  63  12.398  -1.873  -7.886
  480    HA   ILE  63           HA       ILE  63  11.427  -2.937 -10.361
  481    HB   ILE  63           HB       ILE  63  10.031  -2.349  -8.411
  482   HG12  ILE  63          1HG1      ILE  63   9.183  -0.981 -10.994
  483   HG13  ILE  63          2HG1      ILE  63   9.060  -2.707 -10.639
  484   HG21  ILE  63          1HG2      ILE  63  11.152  -0.154  -7.869
  485   HG22  ILE  63          2HG2      ILE  63  10.323   0.560  -9.269
  486   HG23  ILE  63          3HG2      ILE  63   9.394  -0.079  -7.897
  487   HD11  ILE  63          3HD1      ILE  63   7.541  -2.127  -8.704
  488   HD12  ILE  63          1HD1      ILE  63   7.572  -0.435  -9.272
  489   HD13  ILE  63          2HD1      ILE  63   6.902  -1.703 -10.308
  490    H    LYS  64           H        LYS  64  11.003  -1.934 -12.357
  491    HA   LYS  64           HA       LYS  64  12.940   0.022 -13.276
  492    HB2  LYS  64           1HB      LYS  64  10.488  -1.172 -14.635
  493    HB3  LYS  64           2HB      LYS  64  11.658  -0.105 -15.421
  494    HG2  LYS  64           1HG      LYS  64  13.483  -1.729 -14.898
  495    HG3  LYS  64           2HG      LYS  64  12.276  -2.833 -14.210
  496    HD2  LYS  64           1HD      LYS  64  11.123  -2.944 -16.416
  497    HD3  LYS  64           2HD      LYS  64  12.289  -1.795 -17.079
  498    HE2  LYS  64           1HE      LYS  64  12.965  -3.958 -17.810
  499    HE3  LYS  64           2HE      LYS  64  14.139  -3.411 -16.610
  500    HZ1  LYS  64           3HZ      LYS  64  13.474  -5.731 -16.263
  501    HZ2  LYS  64           1HZ      LYS  64  11.910  -5.314 -16.077
  502    HZ3  LYS  64           2HZ      LYS  64  13.025  -4.844 -14.974
  503    H    GLN  65           H        GLN  65  12.524   2.000 -14.272
  504    HA   GLN  65           HA       GLN  65  10.223   3.612 -13.218
  505    HB2  GLN  65           1HB      GLN  65  13.201   4.280 -13.181
  506    HB3  GLN  65           2HB      GLN  65  11.929   5.447 -12.834
  507    HG2  GLN  65           1HG      GLN  65  12.337   2.901 -11.206
  508    HG3  GLN  65           2HG      GLN  65  13.060   4.456 -10.828
  509   HE21  GLN  65          1HE2      GLN  65  11.698   3.690  -8.777
  510   HE22  GLN  65          2HE2      GLN  65  10.106   4.433  -8.708
  511    H    HIS  66           H        HIS  66  10.197   5.859 -14.390
  512    HA   HIS  66           HA       HIS  66  11.433   5.761 -17.050
  513    HB2  HIS  66           1HB      HIS  66   9.455   6.322 -18.282
  514    HB3  HIS  66           2HB      HIS  66   9.215   4.804 -17.436
  515    HD1  HIS  66           1HD      HIS  66   6.970   4.678 -16.096
  516    HD2  HIS  66           2HD      HIS  66   8.261   8.581 -16.979
  517    HE1  HIS  66           1HE      HIS  66   5.080   6.234 -15.383
  518    H    CYS  67           H        CYS  67  11.689   7.664 -18.124
  519    HA   CYS  67           HA       CYS  67  12.252   9.996 -16.528
  520    HB2  CYS  67           1HB      CYS  67  13.621   9.117 -18.370
  521    HB3  CYS  67           2HB      CYS  67  12.299   9.405 -19.504
  522    H    ARG  68           H        ARG  68  11.339  11.931 -16.429
  523    HA   ARG  68           HA       ARG  68   8.549  12.242 -17.395
  524    HB2  ARG  68           1HB      ARG  68   8.247  13.919 -15.765
  525    HB3  ARG  68           2HB      ARG  68   9.082  12.581 -15.016
  526    HG2  ARG  68           1HG      ARG  68  10.268  14.305 -14.111
  527    HG3  ARG  68           2HG      ARG  68  11.273  13.974 -15.511
  528    HD2  ARG  68           1HD      ARG  68  11.037  16.339 -15.270
  529    HD3  ARG  68           2HD      ARG  68  10.146  15.902 -16.709
  530    HE   ARG  68           HE       ARG  68   9.059  16.713 -14.044
  531   HH11  ARG  68          1HH1      ARG  68   8.195  15.991 -17.393
  532   HH12  ARG  68          2HH1      ARG  68   6.711  16.895 -17.260
  533   HH21  ARG  68          2HH2      ARG  68   7.126  17.755 -13.970
  534   HH22  ARG  68          1HH2      ARG  68   6.108  17.814 -15.376
  535    H    PHE  69           H        PHE  69  11.502  12.961 -18.682
  536    HA   PHE  69           HA       PHE  69  10.520  15.438 -20.063
  537    HB2  PHE  69           1HB      PHE  69  13.303  14.297 -19.856
  538    HB3  PHE  69           2HB      PHE  69  12.867  15.815 -20.612
  539    HD1  PHE  69           2HD      PHE  69  12.146  17.764 -19.203
  540    HD2  PHE  69           1HD      PHE  69  13.622  14.099 -17.471
  541    HE1  PHE  69           2HE      PHE  69  12.656  18.964 -17.086
  542    HE2  PHE  69           1HE      PHE  69  14.137  15.305 -15.361
  543    HZ   PHE  69           HZ       PHE  69  13.670  17.740 -15.173
  544    H    CYS  70           H        CYS  70  11.766  12.155 -20.711
  545    HA   CYS  70           HA       CYS  70  10.935  12.441 -23.558
  546    HB2  CYS  70           1HB      CYS  70  12.889  11.352 -24.345
  547    HB3  CYS  70           2HB      CYS  70  13.328  12.784 -23.420
  548    H    LYS  71           H        LYS  71  10.104  10.842 -20.893
  549    HA   LYS  71           HA       LYS  71   9.035   8.928 -20.351
  550    HB2  LYS  71           1HB      LYS  71   8.253   8.975 -23.275
  551    HB3  LYS  71           2HB      LYS  71   7.452   8.009 -22.054
  552    HG2  LYS  71           1HG      LYS  71   7.625  10.993 -21.574
  553    HG3  LYS  71           2HG      LYS  71   6.564  10.402 -22.839
  554    HD2  LYS  71           1HD      LYS  71   5.328  10.710 -20.788
  555    HD3  LYS  71           2HD      LYS  71   5.328   9.012 -21.277
  556    HE2  LYS  71           1HE      LYS  71   7.041   8.495 -19.587
  557    HE3  LYS  71           2HE      LYS  71   7.146  10.202 -19.132
  558    HZ1  LYS  71           3HZ      LYS  71   5.686   8.905 -17.636
  559    HZ2  LYS  71           1HZ      LYS  71   4.694   8.536 -18.875
  560    HZ3  LYS  71           2HZ      LYS  71   4.839  10.089 -18.387
  561    H    LYS  72           H        LYS  72  11.863   8.603 -21.652
  562    HA   LYS  72           HA       LYS  72  12.038   5.878 -22.500
  563    HB2  LYS  72           1HB      LYS  72  13.764   7.739 -22.780
  564    HB3  LYS  72           2HB      LYS  72  14.182   7.521 -21.091
  565    HG2  LYS  72           1HG      LYS  72  14.876   5.223 -21.489
  566    HG3  LYS  72           2HG      LYS  72  14.215   5.249 -23.132
  567    HD2  LYS  72           1HD      LYS  72  15.861   6.922 -23.824
  568    HD3  LYS  72           2HD      LYS  72  16.546   6.991 -22.199
  569    HE2  LYS  72           1HE      LYS  72  16.415   4.483 -23.938
  570    HE3  LYS  72           2HE      LYS  72  17.817   5.555 -23.844
  571    HZ1  LYS  72           3HZ      LYS  72  16.692   4.028 -21.556
  572    HZ2  LYS  72           1HZ      LYS  72  17.947   5.078 -21.460
  573    HZ3  LYS  72           2HZ      LYS  72  18.092   3.700 -22.334
  574    H    LYS  73           H        LYS  73  12.342   3.974 -21.405
  575    HA   LYS  73           HA       LYS  73  11.803   3.932 -18.495
  576    HB2  LYS  73           1HB      LYS  73  11.920   1.752 -20.600
  577    HB3  LYS  73           2HB      LYS  73  11.765   1.420 -18.866
  578    HG2  LYS  73           1HG      LYS  73   9.691   2.685 -18.720
  579    HG3  LYS  73           2HG      LYS  73   9.859   3.247 -20.382
  580    HD2  LYS  73           1HD      LYS  73   8.204   1.503 -20.315
  581    HD3  LYS  73           2HD      LYS  73   9.615   0.916 -21.207
  582    HE2  LYS  73           1HE      LYS  73  10.377  -0.322 -19.194
  583    HE3  LYS  73           2HE      LYS  73   9.006   0.312 -18.273
  584    HZ1  LYS  73           3HZ      LYS  73   8.787  -1.449 -20.660
  585    HZ2  LYS  73           1HZ      LYS  73   7.520  -0.863 -19.811
  586    HZ3  LYS  73           2HZ      LYS  73   8.547  -1.922 -19.118
  587    H    TYR  74           H        TYR  74  13.039   3.078 -16.960
  588    HA   TYR  74           HA       TYR  74  15.943   2.673 -17.511
  589    HB2  TYR  74           1HB      TYR  74  14.593   4.766 -15.831
  590    HB3  TYR  74           2HB      TYR  74  16.084   4.057 -15.216
  591    HD1  TYR  74           1HD      TYR  74  14.638   5.960 -18.095
  592    HD2  TYR  74           2HD      TYR  74  18.193   4.402 -16.229
  593    HE1  TYR  74           1HE      TYR  74  16.018   6.912 -19.943
  594    HE2  TYR  74           2HE      TYR  74  19.579   5.324 -18.085
  595    HH   TYR  74           HH       TYR  74  19.567   6.335 -20.122
  596    H    SER  75           H        SER  75  17.092   1.352 -16.267
  597    HA   SER  75           HA       SER  75  15.684  -0.874 -15.114
  598    HB2  SER  75           1HB      SER  75  18.011  -1.772 -14.880
  599    HB3  SER  75           2HB      SER  75  17.614  -1.200 -16.508
  600    HG   SER  75           HG       SER  75  19.648  -0.440 -15.899
  601    H    ASP  76           H        ASP  76  17.225   1.898 -13.714
  602    HA   ASP  76           HA       ASP  76  16.543   1.059 -10.975
  603    HB2  ASP  76           1HB      ASP  76  18.969   0.351 -11.541
  604    HB3  ASP  76           2HB      ASP  76  19.340   2.067 -11.656
  605    H    VAL  77           H        VAL  77  16.132   2.917  -9.651
  606    HA   VAL  77           HA       VAL  77  15.487   5.379 -10.997
  607    HB   VAL  77           HB       VAL  77  14.459   4.579  -8.857
  608   HG11  VAL  77          1HG1      VAL  77  15.460   5.045  -6.719
  609   HG12  VAL  77          2HG1      VAL  77  16.547   3.973  -7.615
  610   HG13  VAL  77          3HG1      VAL  77  16.920   5.708  -7.468
  611   HG21  VAL  77          3HG2      VAL  77  14.171   6.886  -9.691
  612   HG22  VAL  77          1HG2      VAL  77  14.154   6.809  -7.921
  613   HG23  VAL  77          2HG2      VAL  77  15.600   7.400  -8.767
  614    H    LYS  78           H        LYS  78  18.454   4.317  -9.275
  615    HA   LYS  78           HA       LYS  78  19.748   6.909  -9.316
  616    HB2  LYS  78           1HB      LYS  78  20.915   4.094  -9.227
  617    HB3  LYS  78           2HB      LYS  78  21.842   5.586  -9.015
  618    HG2  LYS  78           1HG      LYS  78  20.397   6.204  -7.074
  619    HG3  LYS  78           2HG      LYS  78  19.550   4.653  -7.228
  620    HD2  LYS  78           1HD      LYS  78  21.679   3.444  -6.842
  621    HD3  LYS  78           2HD      LYS  78  22.538   4.996  -6.710
  622    HE2  LYS  78           1HE      LYS  78  21.066   5.623  -4.790
  623    HE3  LYS  78           2HE      LYS  78  20.269   4.049  -4.900
  624    HZ1  LYS  78           3HZ      LYS  78  22.021   4.038  -3.218
  625    HZ2  LYS  78           1HZ      LYS  78  23.154   4.466  -4.308
  626    HZ3  LYS  78           2HZ      LYS  78  22.427   3.006  -4.414
  627    H    ASN  79           H        ASN  79  19.532   4.350 -11.755
  628    HA   ASN  79           HA       ASN  79  21.414   5.644 -13.560
  629    HB2  ASN  79           1HB      ASN  79  19.296   3.477 -14.004
  630    HB3  ASN  79           2HB      ASN  79  20.403   4.034 -15.253
  631   HD21  ASN  79          1HD2      ASN  79  20.243   1.316 -14.414
  632   HD22  ASN  79          2HD2      ASN  79  21.803   0.949 -13.695
  633    H    LEU  80           H        LEU  80  17.892   5.822 -13.084
  634    HA   LEU  80           HA       LEU  80  17.339   7.472 -15.340
  635    HB2  LEU  80           1HB      LEU  80  15.626   6.303 -13.947
  636    HB3  LEU  80           2HB      LEU  80  16.016   7.399 -12.617
  637    HG   LEU  80           HG       LEU  80  15.237   9.332 -13.907
  638   HD11  LEU  80          1HD1      LEU  80  14.020   9.042 -15.975
  639   HD12  LEU  80          2HD1      LEU  80  14.311   7.289 -15.970
  640   HD13  LEU  80          3HD1      LEU  80  15.645   8.442 -16.214
  641   HD21  LEU  80          3HD2      LEU  80  13.202   7.081 -13.793
  642   HD22  LEU  80          1HD2      LEU  80  12.861   8.824 -13.785
  643   HD23  LEU  80          2HD2      LEU  80  13.702   8.084 -12.413
  644    H    ILE  81           H        ILE  81  18.355   8.348 -11.983
  645    HA   ILE  81           HA       ILE  81  18.280  11.167 -12.345
  646    HB   ILE  81           HB       ILE  81  20.370   9.746 -10.672
  647   HG12  ILE  81          1HG1      ILE  81  18.462   8.702  -9.955
  648   HG13  ILE  81          2HG1      ILE  81  18.803   9.897  -8.775
  649   HG21  ILE  81          1HG2      ILE  81  19.030  12.469 -10.462
  650   HG22  ILE  81          2HG2      ILE  81  20.151  11.787  -9.263
  651   HG23  ILE  81          3HG2      ILE  81  20.724  12.140 -10.898
  652   HD11  ILE  81          3HD1      ILE  81  16.605  10.096 -10.872
  653   HD12  ILE  81          1HD1      ILE  81  16.406   9.838  -9.132
  654   HD13  ILE  81          2HD1      ILE  81  17.030  11.390  -9.727
  655    H    LYS  82           H        LYS  82  20.971   8.866 -12.877
  656    HA   LYS  82           HA       LYS  82  22.869  10.744 -13.834
  657    HB2  LYS  82           1HB      LYS  82  23.348   8.425 -13.106
  658    HB3  LYS  82           2HB      LYS  82  22.521   7.792 -14.536
  659    HG2  LYS  82           1HG      LYS  82  24.214   8.766 -16.009
  660    HG3  LYS  82           2HG      LYS  82  24.962   9.614 -14.647
  661    HD2  LYS  82           1HD      LYS  82  26.281   7.659 -15.238
  662    HD3  LYS  82           2HD      LYS  82  25.594   7.463 -13.619
  663    HE2  LYS  82           1HE      LYS  82  23.794   6.018 -14.565
  664    HE3  LYS  82           2HE      LYS  82  24.475   6.232 -16.184
  665    HZ1  LYS  82           3HZ      LYS  82  25.218   4.154 -15.161
  666    HZ2  LYS  82           1HZ      LYS  82  25.879   4.946 -13.898
  667    HZ3  LYS  82           2HZ      LYS  82  26.503   5.131 -15.396
  668    H    HIS  83           H        HIS  83  20.400   8.925 -15.697
  669    HA   HIS  83           HA       HIS  83  20.973  10.053 -18.277
  670    HB2  HIS  83           1HB      HIS  83  19.573   8.155 -18.149
  671    HB3  HIS  83           2HB      HIS  83  18.508   8.876 -16.956
  672    HD1  HIS  83           1HD      HIS  83  19.236   9.150 -20.727
  673    HD2  HIS  83           2HD      HIS  83  16.435  10.238 -17.793
  674    HE1  HIS  83           1HE      HIS  83  17.251  10.080 -21.994
  675    H    ILE  84           H        ILE  84  18.773  11.302 -15.698
  676    HA   ILE  84           HA       ILE  84  17.984  13.617 -17.212
  677    HB   ILE  84           HB       ILE  84  18.008  12.962 -14.260
  678   HG12  ILE  84          1HG1      ILE  84  15.638  13.357 -16.135
  679   HG13  ILE  84          2HG1      ILE  84  16.454  11.805 -15.998
  680   HG21  ILE  84          1HG2      ILE  84  16.552  14.966 -13.911
  681   HG22  ILE  84          2HG2      ILE  84  18.188  15.407 -14.376
  682   HG23  ILE  84          3HG2      ILE  84  16.884  15.478 -15.578
  683   HD11  ILE  84          3HD1      ILE  84  16.031  11.775 -13.560
  684   HD12  ILE  84          1HD1      ILE  84  15.057  13.254 -13.734
  685   HD13  ILE  84          2HD1      ILE  84  14.555  11.761 -14.559
  686    H    ARG  85           H        ARG  85  20.639  13.161 -14.877
  687    HA   ARG  85           HA       ARG  85  21.772  15.802 -15.154
  688    HB2  ARG  85           1HB      ARG  85  23.005  13.139 -14.327
  689    HB3  ARG  85           2HB      ARG  85  23.858  14.682 -14.268
  690    HG2  ARG  85           1HG      ARG  85  22.034  15.602 -12.798
  691    HG3  ARG  85           2HG      ARG  85  21.310  14.003 -12.732
  692    HD2  ARG  85           1HD      ARG  85  22.611  14.280 -10.736
  693    HD3  ARG  85           2HD      ARG  85  23.431  13.105 -11.756
  694    HE   ARG  85           HE       ARG  85  25.236  14.554 -11.991
  695   HH11  ARG  85          2HH1      ARG  85  22.636  16.484 -10.543
  696   HH12  ARG  85          1HH1      ARG  85  23.753  17.839 -10.336
  697   HH21  ARG  85          2HH2      ARG  85  26.472  16.430 -11.638
  698   HH22  ARG  85          1HH2      ARG  85  25.662  17.812 -10.896
  699    H    ASP  86           H        ASP  86  21.993  13.119 -17.338
  700    HA   ASP  86           HA       ASP  86  24.277  14.344 -18.800
  701    HB2  ASP  86           1HB      ASP  86  22.810  11.702 -19.061
  702    HB3  ASP  86           2HB      ASP  86  23.996  12.271 -20.225
  703    H    ALA  87           H        ALA  87  20.836  13.564 -19.409
  704    HA   ALA  87           HA       ALA  87  21.014  14.809 -22.101
  705    HB1  ALA  87           1HB      ALA  87  20.291  12.456 -21.877
  706    HB2  ALA  87           2HB      ALA  87  18.927  12.973 -20.856
  707    HB3  ALA  87           3HB      ALA  87  19.011  13.483 -22.554
  708    H    HIS  88           H        HIS  88  19.401  15.338 -19.002
  709    HA   HIS  88           HA       HIS  88  17.795  17.579 -20.165
  710    HB2  HIS  88           1HB      HIS  88  16.998  15.735 -17.899
  711    HB3  HIS  88           2HB      HIS  88  16.008  16.939 -18.700
  712    HD1  HIS  88           1HD      HIS  88  16.044  16.183 -21.671
  713    HD2  HIS  88           2HD      HIS  88  16.207  13.404 -18.529
  714    HE1  HIS  88           1HE      HIS  88  15.201  13.987 -22.644
  715    H    ASP  89           H        ASP  89  20.456  17.653 -18.898
  716    HA   ASP  89           HA       ASP  89  20.420  18.193 -16.228
  717    HB2  ASP  89           1HB      ASP  89  22.672  18.776 -16.418
  718    HB3  ASP  89           2HB      ASP  89  22.354  17.634 -17.719
  719    HA   PRO  90           HA       PRO  90  19.229  22.499 -15.779
  720    HB2  PRO  90           1HB      PRO  90  19.536  22.808 -13.134
  721    HB3  PRO  90           2HB      PRO  90  18.431  21.560 -13.792
  722    HG2  PRO  90           1HG      PRO  90  21.296  21.203 -12.850
  723    HG3  PRO  90           2HG      PRO  90  19.857  20.254 -12.356
  724    HD2  PRO  90           1HD      PRO  90  21.572  19.475 -14.378
  725    HD3  PRO  90           2HD      PRO  90  19.827  19.081 -14.374
  726    H    GLN  91           H        GLN  91  22.218  21.838 -16.399
  727    HA   GLN  91           HA       GLN  91  24.248  22.722 -16.472
  728    HB2  GLN  91           1HB      GLN  91  22.816  24.627 -17.430
  729    HB3  GLN  91           2HB      GLN  91  23.168  25.488 -15.929
  730    HG2  GLN  91           1HG      GLN  91  25.622  25.243 -16.410
  731    HG3  GLN  91           2HG      GLN  91  25.227  24.368 -17.890
  732   HE21  GLN  91          1HE2      GLN  91  24.037  25.600 -19.626
  733   HE22  GLN  91          2HE2      GLN  91  24.246  27.345 -19.676
  734    H    ASP  92           H        ASP  92  23.641  21.514 -14.149
  735    HA   ASP  92           HA       ASP  92  24.926  22.936 -11.891
  736    HB2  ASP  92           1HB      ASP  92  23.026  21.596 -11.336
  737    HB3  ASP  92           2HB      ASP  92  23.658  20.202 -12.210
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1 -12.543 -37.428 -10.105
    2    H2   GLY   1           2H       GLY   1 -10.916 -37.491 -10.276
    3    H3   GLY   1           3H       GLY   1 -11.726 -36.118 -10.658
    4    HA2  GLY   1           1HA      GLY   1 -10.600 -35.852  -8.548
    5    HA3  GLY   1           2HA      GLY   1 -12.362 -35.761  -8.373
    6    H    SER   2           H        SER   2 -10.466 -36.437  -6.300
    7    HA   SER   2           HA       SER   2 -10.580 -39.312  -5.804
    8    HB2  SER   2           1HB      SER   2  -9.543 -38.687  -3.634
    9    HB3  SER   2           2HB      SER   2  -8.658 -38.101  -5.052
   10    HG   SER   2           HG       SER   2  -8.864 -36.478  -3.450
   11    H    SER   3           H        SER   3 -11.521 -40.270  -3.906
   12    HA   SER   3           HA       SER   3 -13.829 -38.918  -2.643
   13    HB2  SER   3           1HB      SER   3 -15.309 -40.828  -3.089
   14    HB3  SER   3           2HB      SER   3 -14.812 -40.010  -4.578
   15    HG   SER   3           HG       SER   3 -14.681 -42.294  -4.765
   16    H    GLY   4           H        GLY   4 -14.554 -39.909  -0.707
   17    HA2  GLY   4           1HA      GLY   4 -14.370 -41.055   1.289
   18    HA3  GLY   4           2HA      GLY   4 -13.178 -42.128   0.557
   19    H    SER   5           H        SER   5 -11.119 -40.397  -0.115
   20    HA   SER   5           HA       SER   5  -9.966 -39.631   2.474
   21    HB2  SER   5           1HB      SER   5  -7.923 -39.274   1.133
   22    HB3  SER   5           2HB      SER   5  -8.631 -40.880   0.891
   23    HG   SER   5           HG       SER   5  -8.030 -39.886  -1.095
   24    H    SER   6           H        SER   6 -11.610 -37.943  -0.059
   25    HA   SER   6           HA       SER   6 -10.372 -35.346   0.330
   26    HB2  SER   6           1HB      SER   6 -11.462 -36.073  -1.786
   27    HB3  SER   6           2HB      SER   6 -13.036 -36.013  -0.965
   28    HG   SER   6           HG       SER   6 -12.507 -34.063  -2.112
   29    H    GLY   7           H        GLY   7 -11.236 -33.498   1.324
   30    HA2  GLY   7           1HA      GLY   7 -13.665 -33.292   2.758
   31    HA3  GLY   7           2HA      GLY   7 -12.428 -33.830   3.896
   32    H    LYS   8           H        LYS   8 -13.615 -31.546   4.427
   33    HA   LYS   8           HA       LYS   8 -13.502 -29.290   4.769
   34    HB2  LYS   8           1HB      LYS   8 -10.561 -29.952   4.939
   35    HB3  LYS   8           2HB      LYS   8 -11.296 -28.443   5.504
   36    HG2  LYS   8           1HG      LYS   8 -12.776 -29.721   7.033
   37    HG3  LYS   8           2HG      LYS   8 -11.982 -31.223   6.553
   38    HD2  LYS   8           1HD      LYS   8 -10.616 -28.842   7.892
   39    HD3  LYS   8           2HD      LYS   8 -11.157 -30.313   8.712
   40    HE2  LYS   8           1HE      LYS   8  -9.628 -31.665   7.266
   41    HE3  LYS   8           2HE      LYS   8  -9.041 -30.176   6.516
   42    HZ1  LYS   8           3HZ      LYS   8  -8.792 -30.843   9.402
   43    HZ2  LYS   8           1HZ      LYS   8  -8.257 -29.459   8.716
   44    HZ3  LYS   8           2HZ      LYS   8  -7.579 -30.889   8.314
   45    HA   PRO   9           HA       PRO   9 -12.518 -28.389   0.259
   46    HB2  PRO   9           1HB      PRO   9 -15.032 -27.456  -0.434
   47    HB3  PRO   9           2HB      PRO   9 -14.555 -29.173  -0.476
   48    HG2  PRO   9           1HG      PRO   9 -15.991 -27.727   1.762
   49    HG3  PRO   9           2HG      PRO   9 -16.458 -29.266   0.964
   50    HD2  PRO   9           1HD      PRO   9 -15.082 -29.288   3.281
   51    HD3  PRO   9           2HD      PRO   9 -14.638 -30.423   1.974
   52    H    TYR  10           H        TYR  10 -14.226 -26.460   2.715
   53    HA   TYR  10           HA       TYR  10 -13.822 -23.993   1.242
   54    HB2  TYR  10           1HB      TYR  10 -14.896 -24.393   4.024
   55    HB3  TYR  10           2HB      TYR  10 -15.199 -23.046   2.920
   56    HD1  TYR  10           2HD      TYR  10 -15.937 -24.328   0.371
   57    HD2  TYR  10           1HD      TYR  10 -16.836 -25.570   4.398
   58    HE1  TYR  10           2HE      TYR  10 -17.901 -25.587  -0.456
   59    HE2  TYR  10           1HE      TYR  10 -18.786 -26.850   3.565
   60    HH   TYR  10           HH       TYR  10 -19.665 -26.952   0.089
   61    H    LYS  11           H        LYS  11 -11.819 -23.313   1.110
   62    HA   LYS  11           HA       LYS  11  -9.954 -23.251   3.437
   63    HB2  LYS  11           1HB      LYS  11  -9.604 -23.089   0.431
   64    HB3  LYS  11           2HB      LYS  11  -8.388 -22.402   1.491
   65    HG2  LYS  11           1HG      LYS  11  -7.671 -24.564   0.893
   66    HG3  LYS  11           2HG      LYS  11  -8.049 -24.557   2.612
   67    HD2  LYS  11           1HD      LYS  11 -10.200 -25.702   2.151
   68    HD3  LYS  11           2HD      LYS  11  -9.859 -25.675   0.416
   69    HE2  LYS  11           1HE      LYS  11  -8.144 -27.072   2.523
   70    HE3  LYS  11           2HE      LYS  11  -9.408 -27.864   1.585
   71    HZ1  LYS  11           3HZ      LYS  11  -7.259 -28.223   0.561
   72    HZ2  LYS  11           1HZ      LYS  11  -6.971 -26.624   0.424
   73    HZ3  LYS  11           2HZ      LYS  11  -8.170 -27.320  -0.445
   74    H    CYS  12           H        CYS  12  -8.849 -21.438   4.100
   75    HA   CYS  12           HA       CYS  12 -10.168 -18.870   3.829
   76    HB2  CYS  12           1HB      CYS  12  -9.311 -19.680   5.918
   77    HB3  CYS  12           2HB      CYS  12  -7.676 -19.811   5.251
   78    HA   PRO  13           HA       PRO  13  -7.401 -17.596   0.457
   79    HB2  PRO  13           1HB      PRO  13  -8.286 -15.040   0.123
   80    HB3  PRO  13           2HB      PRO  13  -9.254 -16.468  -0.349
   81    HG2  PRO  13           1HG      PRO  13  -9.507 -14.765   2.130
   82    HG3  PRO  13           2HG      PRO  13 -10.803 -15.419   1.090
   83    HD2  PRO  13           1HD      PRO  13  -9.910 -16.606   3.467
   84    HD3  PRO  13           2HD      PRO  13 -10.724 -17.489   2.144
   85    H    GLN  14           H        GLN  14  -7.341 -16.557   3.720
   86    HA   GLN  14           HA       GLN  14  -5.027 -14.714   3.275
   87    HB2  GLN  14           1HB      GLN  14  -6.938 -14.769   5.631
   88    HB3  GLN  14           2HB      GLN  14  -5.675 -13.586   5.277
   89    HG2  GLN  14           1HG      GLN  14  -6.968 -13.287   3.004
   90    HG3  GLN  14           2HG      GLN  14  -8.299 -14.067   3.850
   91   HE21  GLN  14          1HE2      GLN  14  -9.752 -12.651   4.780
   92   HE22  GLN  14          2HE2      GLN  14  -9.327 -11.031   5.309
   93    H    CYS  15           H        CYS  15  -5.972 -17.657   4.964
   94    HA   CYS  15           HA       CYS  15  -3.106 -18.059   5.577
   95    HB2  CYS  15           1HB      CYS  15  -3.420 -18.645   7.878
   96    HB3  CYS  15           2HB      CYS  15  -4.040 -17.022   7.609
   97    H    SER  16           H        SER  16  -3.088 -20.404   6.863
   98    HA   SER  16           HA       SER  16  -3.685 -22.287   4.731
   99    HB2  SER  16           1HB      SER  16  -2.485 -23.891   6.197
  100    HB3  SER  16           2HB      SER  16  -1.574 -22.407   5.878
  101    HG   SER  16           HG       SER  16  -1.526 -23.008   8.105
  102    H    TYR  17           H        TYR  17  -5.726 -21.141   7.056
  103    HA   TYR  17           HA       TYR  17  -6.939 -23.398   8.232
  104    HB2  TYR  17           1HB      TYR  17  -7.294 -21.130   8.976
  105    HB3  TYR  17           2HB      TYR  17  -8.018 -20.674   7.448
  106    HD1  TYR  17           1HD      TYR  17  -8.455 -22.609  10.592
  107    HD2  TYR  17           2HD      TYR  17 -10.403 -21.181   7.012
  108    HE1  TYR  17           1HE      TYR  17 -10.676 -23.129  11.585
  109    HE2  TYR  17           2HE      TYR  17 -12.622 -21.656   8.033
  110    HH   TYR  17           HH       TYR  17 -12.935 -23.059  11.318
  111    H    ALA  18           H        ALA  18  -8.685 -24.647   7.799
  112    HA   ALA  18           HA       ALA  18 -10.341 -24.240   5.452
  113    HB1  ALA  18           1HB      ALA  18  -8.500 -25.689   4.570
  114    HB2  ALA  18           2HB      ALA  18  -8.881 -26.894   5.815
  115    HB3  ALA  18           3HB      ALA  18 -10.077 -26.504   4.561
  116    H    SER  19           H        SER  19 -12.381 -25.294   5.600
  117    HA   SER  19           HA       SER  19 -12.911 -27.055   7.918
  118    HB2  SER  19           1HB      SER  19 -13.387 -24.632   8.590
  119    HB3  SER  19           2HB      SER  19 -14.720 -24.670   7.423
  120    HG   SER  19           HG       SER  19 -14.302 -26.298   9.732
  121    H    ALA  20           H        ALA  20 -15.050 -28.027   7.858
  122    HA   ALA  20           HA       ALA  20 -15.858 -28.798   5.115
  123    HB1  ALA  20           1HB      ALA  20 -16.916 -30.704   6.224
  124    HB2  ALA  20           2HB      ALA  20 -15.220 -30.559   6.720
  125    HB3  ALA  20           3HB      ALA  20 -16.517 -30.025   7.816
  126    H    ILE  21           H        ILE  21 -16.782 -26.414   7.189
  127    HA   ILE  21           HA       ILE  21 -19.600 -26.384   6.172
  128    HB   ILE  21           HB       ILE  21 -18.598 -25.550   8.915
  129   HG12  ILE  21          1HG1      ILE  21 -20.396 -27.873   8.083
  130   HG13  ILE  21          2HG1      ILE  21 -18.756 -28.003   8.714
  131   HG21  ILE  21          1HG2      ILE  21 -21.436 -25.490   7.796
  132   HG22  ILE  21          2HG2      ILE  21 -20.940 -25.034   9.444
  133   HG23  ILE  21          3HG2      ILE  21 -20.400 -24.074   8.094
  134   HD11  ILE  21          3HD1      ILE  21 -20.224 -28.576  10.482
  135   HD12  ILE  21          1HD1      ILE  21 -19.538 -26.987  10.874
  136   HD13  ILE  21          2HD1      ILE  21 -21.208 -27.124  10.264
  137    H    LYS  22           H        LYS  22 -20.050 -24.566   5.005
  138    HA   LYS  22           HA       LYS  22 -18.001 -22.575   4.599
  139    HB2  LYS  22           1HB      LYS  22 -19.838 -21.343   3.302
  140    HB3  LYS  22           2HB      LYS  22 -19.190 -22.841   2.684
  141    HG2  LYS  22           1HG      LYS  22 -21.678 -23.065   4.369
  142    HG3  LYS  22           2HG      LYS  22 -21.835 -22.286   2.792
  143    HD2  LYS  22           1HD      LYS  22 -20.933 -24.183   1.621
  144    HD3  LYS  22           2HD      LYS  22 -20.498 -24.995   3.133
  145    HE2  LYS  22           1HE      LYS  22 -22.802 -25.272   3.760
  146    HE3  LYS  22           2HE      LYS  22 -23.352 -24.317   2.370
  147    HZ1  LYS  22           3HZ      LYS  22 -21.871 -26.889   2.140
  148    HZ2  LYS  22           1HZ      LYS  22 -22.487 -26.028   0.902
  149    HZ3  LYS  22           2HZ      LYS  22 -23.492 -26.740   1.971
  150    H    ALA  23           H        ALA  23 -20.809 -22.586   6.732
  151    HA   ALA  23           HA       ALA  23 -20.636 -19.860   7.569
  152    HB1  ALA  23           1HB      ALA  23 -22.547 -21.357   8.053
  153    HB2  ALA  23           2HB      ALA  23 -21.524 -22.298   9.167
  154    HB3  ALA  23           3HB      ALA  23 -21.897 -20.602   9.519
  155    H    ASN  24           H        ASN  24 -18.698 -22.712   8.552
  156    HA   ASN  24           HA       ASN  24 -17.282 -21.346  10.686
  157    HB2  ASN  24           1HB      ASN  24 -16.639 -23.824   9.031
  158    HB3  ASN  24           2HB      ASN  24 -15.616 -23.226  10.301
  159   HD21  ASN  24          1HD2      ASN  24 -16.338 -25.701  10.546
  160   HD22  ASN  24          2HD2      ASN  24 -17.531 -25.881  11.839
  161    H    LEU  25           H        LEU  25 -16.651 -21.768   7.150
  162    HA   LEU  25           HA       LEU  25 -14.202 -20.269   7.224
  163    HB2  LEU  25           1HB      LEU  25 -14.765 -21.695   5.329
  164    HB3  LEU  25           2HB      LEU  25 -16.165 -20.686   4.945
  165    HG   LEU  25           HG       LEU  25 -14.692 -18.772   4.434
  166   HD11  LEU  25          1HD1      LEU  25 -12.759 -19.217   5.903
  167   HD12  LEU  25          2HD1      LEU  25 -12.256 -19.101   4.223
  168   HD13  LEU  25          3HD1      LEU  25 -12.387 -20.701   4.993
  169   HD21  LEU  25          3HD2      LEU  25 -13.759 -21.268   2.983
  170   HD22  LEU  25          1HD2      LEU  25 -13.754 -19.605   2.375
  171   HD23  LEU  25          2HD2      LEU  25 -15.298 -20.427   2.666
  172    H    ASN  26           H        ASN  26 -17.590 -19.136   6.635
  173    HA   ASN  26           HA       ASN  26 -17.037 -16.389   6.311
  174    HB2  ASN  26           1HB      ASN  26 -19.341 -17.639   7.884
  175    HB3  ASN  26           2HB      ASN  26 -19.292 -15.989   7.303
  176   HD21  ASN  26          1HD2      ASN  26 -21.326 -17.735   6.842
  177   HD22  ASN  26          2HD2      ASN  26 -21.432 -18.010   5.097
  178    H    VAL  27           H        VAL  27 -17.569 -18.168   9.392
  179    HA   VAL  27           HA       VAL  27 -17.292 -15.848  11.021
  180    HB   VAL  27           HB       VAL  27 -18.270 -18.306  11.450
  181   HG11  VAL  27          1HG1      VAL  27 -16.165 -19.513  11.710
  182   HG12  VAL  27          2HG1      VAL  27 -15.726 -18.462  13.078
  183   HG13  VAL  27          3HG1      VAL  27 -17.144 -19.526  13.165
  184   HG21  VAL  27          3HG2      VAL  27 -18.724 -16.263  12.687
  185   HG22  VAL  27          1HG2      VAL  27 -18.445 -17.608  13.814
  186   HG23  VAL  27          2HG2      VAL  27 -17.142 -16.417  13.520
  187    H    HIS  28           H        HIS  28 -14.978 -18.251  10.000
  188    HA   HIS  28           HA       HIS  28 -12.818 -17.474  11.606
  189    HB2  HIS  28           1HB      HIS  28 -12.895 -19.566  10.445
  190    HB3  HIS  28           2HB      HIS  28 -13.004 -18.788   8.869
  191    HD1  HIS  28           1HD      HIS  28 -10.312 -19.525  11.505
  192    HD2  HIS  28           2HD      HIS  28 -10.839 -17.812   7.702
  193    HE1  HIS  28           1HE      HIS  28  -7.981 -18.994  10.656
  194    H    LEU  29           H        LEU  29 -13.817 -16.178   8.427
  195    HA   LEU  29           HA       LEU  29 -11.520 -14.576   7.909
  196    HB2  LEU  29           1HB      LEU  29 -14.424 -14.173   7.127
  197    HB3  LEU  29           2HB      LEU  29 -13.095 -13.264   6.429
  198    HG   LEU  29           HG       LEU  29 -13.210 -16.287   6.249
  199   HD11  LEU  29          1HD1      LEU  29 -14.150 -16.011   3.993
  200   HD12  LEU  29          2HD1      LEU  29 -14.244 -14.250   4.232
  201   HD13  LEU  29          3HD1      LEU  29 -15.248 -15.344   5.208
  202   HD21  LEU  29          3HD2      LEU  29 -11.747 -14.204   4.593
  203   HD22  LEU  29          1HD2      LEU  29 -11.780 -15.953   4.302
  204   HD23  LEU  29          2HD2      LEU  29 -11.011 -15.332   5.766
  205    H    ARG  30           H        ARG  30 -14.075 -14.043  10.182
  206    HA   ARG  30           HA       ARG  30 -13.902 -11.207  10.499
  207    HB2  ARG  30           1HB      ARG  30 -14.603 -13.322  12.582
  208    HB3  ARG  30           2HB      ARG  30 -14.913 -11.599  12.716
  209    HG2  ARG  30           1HG      ARG  30 -16.425 -11.686  10.747
  210    HG3  ARG  30           2HG      ARG  30 -16.098 -13.412  10.563
  211    HD2  ARG  30           1HD      ARG  30 -18.213 -13.200  11.680
  212    HD3  ARG  30           2HD      ARG  30 -17.038 -13.843  12.818
  213    HE   ARG  30           HE       ARG  30 -17.203 -11.925  14.118
  214   HH11  ARG  30          2HH1      ARG  30 -18.888 -11.254  11.113
  215   HH12  ARG  30          1HH1      ARG  30 -19.579  -9.779  11.733
  216   HH21  ARG  30          2HH2      ARG  30 -18.113 -10.035  14.829
  217   HH22  ARG  30          1HH2      ARG  30 -19.147  -9.116  13.778
  218    H    LYS  31           H        LYS  31 -11.725 -13.674  11.534
  219    HA   LYS  31           HA       LYS  31 -10.262 -12.167  13.568
  220    HB2  LYS  31           1HB      LYS  31  -9.349 -14.504  11.833
  221    HB3  LYS  31           2HB      LYS  31  -8.576 -13.939  13.322
  222    HG2  LYS  31           1HG      LYS  31 -10.595 -14.561  14.614
  223    HG3  LYS  31           2HG      LYS  31 -11.388 -15.081  13.111
  224    HD2  LYS  31           1HD      LYS  31  -9.294 -16.617  12.787
  225    HD3  LYS  31           2HD      LYS  31  -9.027 -16.373  14.524
  226    HE2  LYS  31           1HE      LYS  31 -11.636 -17.233  13.234
  227    HE3  LYS  31           2HE      LYS  31 -10.429 -18.397  13.812
  228    HZ1  LYS  31           3HZ      LYS  31 -10.709 -17.479  16.060
  229    HZ2  LYS  31           1HZ      LYS  31 -12.136 -18.038  15.505
  230    HZ3  LYS  31           2HZ      LYS  31 -11.852 -16.432  15.540
  231    H    HIS  32           H        HIS  32  -9.998 -12.540  10.107
  232    HA   HIS  32           HA       HIS  32  -7.424 -11.191   9.865
  233    HB2  HIS  32           1HB      HIS  32  -9.381 -12.178   7.770
  234    HB3  HIS  32           2HB      HIS  32  -7.760 -11.569   7.447
  235    HD1  HIS  32           1HD      HIS  32  -5.824 -13.063   9.135
  236    HD2  HIS  32           2HD      HIS  32  -9.375 -14.762   7.663
  237    HE1  HIS  32           1HE      HIS  32  -5.436 -15.567   9.137
  238    H    THR  33           H        THR  33  -9.682  -9.552  10.964
  239    HA   THR  33           HA       THR  33  -9.810  -7.313   8.995
  240    HB   THR  33           HB       THR  33 -11.533  -6.381  10.431
  241    HG1  THR  33           1HG      THR  33 -12.287  -7.684  12.176
  242   HG21  THR  33          3HG2      THR  33 -13.288  -8.021  10.074
  243   HG22  THR  33          1HG2      THR  33 -12.094  -9.329   9.890
  244   HG23  THR  33          2HG2      THR  33 -12.179  -8.027   8.688
  245    H    GLY  34           H        GLY  34  -9.879  -5.097  10.368
  246    HA2  GLY  34           1HA      GLY  34  -8.787  -3.692  11.949
  247    HA3  GLY  34           2HA      GLY  34  -7.655  -4.988  12.318
  248    H    GLU  35           H        GLU  35  -5.746  -3.775  11.971
  249    HA   GLU  35           HA       GLU  35  -5.500  -1.971   9.761
  250    HB2  GLU  35           1HB      GLU  35  -4.308  -1.811  12.008
  251    HB3  GLU  35           2HB      GLU  35  -3.196  -3.043  11.398
  252    HG2  GLU  35           1HG      GLU  35  -2.236  -0.838  11.082
  253    HG3  GLU  35           2HG      GLU  35  -2.586  -1.550   9.508
  254    H    LYS  36           H        LYS  36  -4.898  -2.123   7.816
  255    HA   LYS  36           HA       LYS  36  -3.785  -4.686   6.737
  256    HB2  LYS  36           1HB      LYS  36  -6.027  -2.868   5.861
  257    HB3  LYS  36           2HB      LYS  36  -5.125  -3.757   4.640
  258    HG2  LYS  36           1HG      LYS  36  -6.084  -5.310   7.051
  259    HG3  LYS  36           2HG      LYS  36  -7.284  -4.785   5.876
  260    HD2  LYS  36           1HD      LYS  36  -5.987  -5.855   4.045
  261    HD3  LYS  36           2HD      LYS  36  -4.743  -6.360   5.206
  262    HE2  LYS  36           1HE      LYS  36  -6.371  -7.802   6.355
  263    HE3  LYS  36           2HE      LYS  36  -7.660  -7.242   5.281
  264    HZ1  LYS  36           3HZ      LYS  36  -6.476  -8.222   3.408
  265    HZ2  LYS  36           1HZ      LYS  36  -6.682  -9.389   4.548
  266    HZ3  LYS  36           2HZ      LYS  36  -5.230  -8.681   4.342
  267    H    PHE  37           H        PHE  37  -1.787  -4.358   6.461
  268    HA   PHE  37           HA       PHE  37  -0.582  -1.859   5.552
  269    HB2  PHE  37           1HB      PHE  37   0.580  -4.617   6.122
  270    HB3  PHE  37           2HB      PHE  37   1.504  -3.139   5.883
  271    HD1  PHE  37           2HD      PHE  37   1.038  -1.127   7.421
  272    HD2  PHE  37           1HD      PHE  37  -0.300  -5.127   8.297
  273    HE1  PHE  37           2HE      PHE  37   0.639  -0.478   9.783
  274    HE2  PHE  37           1HE      PHE  37  -0.632  -4.498  10.679
  275    HZ   PHE  37           HZ       PHE  37  -0.174  -2.161  11.413
  276    H    ALA  38           H        ALA  38  -1.062  -1.336   3.513
  277    HA   ALA  38           HA       ALA  38  -1.254  -3.361   1.400
  278    HB1  ALA  38           1HB      ALA  38  -2.227  -1.540   0.089
  279    HB2  ALA  38           2HB      ALA  38  -3.011  -1.619   1.683
  280    HB3  ALA  38           3HB      ALA  38  -1.794  -0.365   1.344
  281    H    CYS  39           H        CYS  39  -0.051  -3.502  -0.471
  282    HA   CYS  39           HA       CYS  39   2.628  -2.440  -0.510
  283    HB2  CYS  39           1HB      CYS  39   1.924  -4.595  -1.302
  284    HB3  CYS  39           2HB      CYS  39   0.883  -3.857  -2.527
  285    H    ASP  40           H        ASP  40   3.503  -0.847  -1.637
  286    HA   ASP  40           HA       ASP  40   1.760   1.286  -2.699
  287    HB2  ASP  40           1HB      ASP  40   3.698   1.729  -1.148
  288    HB3  ASP  40           2HB      ASP  40   4.787   1.204  -2.430
  289    H    TYR  41           H        TYR  41   3.064  -1.528  -3.918
  290    HA   TYR  41           HA       TYR  41   3.603  -0.425  -6.657
  291    HB2  TYR  41           1HB      TYR  41   4.819  -2.833  -5.255
  292    HB3  TYR  41           2HB      TYR  41   5.126  -2.317  -6.895
  293    HD1  TYR  41           2HD      TYR  41   5.548  -1.569  -3.316
  294    HD2  TYR  41           1HD      TYR  41   6.665  -0.437  -7.319
  295    HE1  TYR  41           2HE      TYR  41   7.412  -0.158  -2.401
  296    HE2  TYR  41           1HE      TYR  41   8.527   0.955  -6.415
  297    HH   TYR  41           HH       TYR  41   9.611   1.692  -4.540
  298    H    CYS  42           H        CYS  42   1.853  -2.884  -4.836
  299    HA   CYS  42           HA       CYS  42   0.206  -3.333  -7.247
  300    HB2  CYS  42           1HB      CYS  42   0.116  -5.746  -7.014
  301    HB3  CYS  42           2HB      CYS  42   1.761  -5.194  -7.353
  302    H    SER  43           H        SER  43  -1.686  -4.966  -6.496
  303    HA   SER  43           HA       SER  43  -3.234  -3.531  -4.504
  304    HB2  SER  43           1HB      SER  43  -3.899  -6.094  -5.994
  305    HB3  SER  43           2HB      SER  43  -5.037  -5.048  -5.124
  306    HG   SER  43           HG       SER  43  -5.034  -4.630  -7.383
  307    H    PHE  44           H        PHE  44  -0.816  -5.610  -3.839
  308    HA   PHE  44           HA       PHE  44  -1.920  -7.610  -2.182
  309    HB2  PHE  44           1HB      PHE  44   0.293  -7.758  -2.979
  310    HB3  PHE  44           2HB      PHE  44   0.776  -6.257  -2.223
  311    HD1  PHE  44           2HD      PHE  44   0.149  -9.851  -1.685
  312    HD2  PHE  44           1HD      PHE  44   1.299  -6.139   0.190
  313    HE1  PHE  44           2HE      PHE  44   1.022 -11.102   0.277
  314    HE2  PHE  44           1HE      PHE  44   2.167  -7.391   2.141
  315    HZ   PHE  44           HZ       PHE  44   2.039  -9.878   2.187
  316    H    THR  45           H        THR  45  -2.146  -7.810   0.018
  317    HA   THR  45           HA       THR  45  -1.565  -5.596   1.823
  318    HB   THR  45           HB       THR  45  -3.653  -5.786   3.034
  319    HG1  THR  45           1HG      THR  45  -4.649  -7.219   0.811
  320   HG21  THR  45          3HG2      THR  45  -3.401  -3.995   1.476
  321   HG22  THR  45          1HG2      THR  45  -5.096  -4.516   1.526
  322   HG23  THR  45          2HG2      THR  45  -4.059  -4.973   0.144
  323    H    CYS  46           H        CYS  46  -1.386  -6.160   3.968
  324    HA   CYS  46           HA       CYS  46  -1.706  -9.004   4.753
  325    HB2  CYS  46           1HB      CYS  46   0.686  -8.586   3.922
  326    HB3  CYS  46           2HB      CYS  46   0.903  -7.545   5.340
  327    HG   CYS  46           HG       CYS  46   0.038 -10.759   5.125
  328    H    LEU  47           H        LEU  47  -1.728  -9.354   7.059
  329    HA   LEU  47           HA       LEU  47  -2.663  -7.051   8.668
  330    HB2  LEU  47           1HB      LEU  47  -2.528 -10.044   9.230
  331    HB3  LEU  47           2HB      LEU  47  -3.037  -8.848  10.398
  332    HG   LEU  47           HG       LEU  47  -4.978  -9.850   9.596
  333   HD11  LEU  47          1HD1      LEU  47  -6.278  -8.007   8.734
  334   HD12  LEU  47          2HD1      LEU  47  -4.824  -7.185   8.141
  335   HD13  LEU  47          3HD1      LEU  47  -5.091  -7.383   9.886
  336   HD21  LEU  47          3HD2      LEU  47  -4.120 -10.762   7.449
  337   HD22  LEU  47          1HD2      LEU  47  -4.296  -9.146   6.724
  338   HD23  LEU  47          2HD2      LEU  47  -5.720 -10.014   7.324
  339    H    SER  48           H        SER  48   0.329  -8.283   7.902
  340    HA   SER  48           HA       SER  48   1.549  -7.283  10.446
  341    HB2  SER  48           1HB      SER  48   2.066  -9.587  10.274
  342    HB3  SER  48           2HB      SER  48   2.491  -9.440   8.562
  343    HG   SER  48           HG       SER  48   4.277  -9.454  10.174
  344    H    LYS  49           H        LYS  49   2.727  -5.576  10.346
  345    HA   LYS  49           HA       LYS  49   3.274  -4.050   7.953
  346    HB2  LYS  49           1HB      LYS  49   2.858  -3.285  10.374
  347    HB3  LYS  49           2HB      LYS  49   4.523  -3.762  10.719
  348    HG2  LYS  49           1HG      LYS  49   5.260  -2.161   8.892
  349    HG3  LYS  49           2HG      LYS  49   3.574  -1.640   8.740
  350    HD2  LYS  49           1HD      LYS  49   5.241  -1.477  11.290
  351    HD3  LYS  49           2HD      LYS  49   4.985  -0.139  10.161
  352    HE2  LYS  49           1HE      LYS  49   2.564  -0.207  10.583
  353    HE3  LYS  49           2HE      LYS  49   2.772  -1.571  11.691
  354    HZ1  LYS  49           3HZ      LYS  49   3.929   1.139  12.088
  355    HZ2  LYS  49           1HZ      LYS  49   4.125  -0.119  13.111
  356    HZ3  LYS  49           2HZ      LYS  49   2.648   0.535  12.895
  357    H    GLY  50           H        GLY  50   5.135  -6.391   9.829
  358    HA2  GLY  50           1HA      GLY  50   7.713  -5.948   8.560
  359    HA3  GLY  50           2HA      GLY  50   7.210  -7.357   9.504
  360    H    HIS  51           H        HIS  51   4.994  -8.263   7.981
  361    HA   HIS  51           HA       HIS  51   6.299  -9.623   5.798
  362    HB2  HIS  51           1HB      HIS  51   3.368  -9.298   6.471
  363    HB3  HIS  51           2HB      HIS  51   3.995 -10.382   5.234
  364    HD1  HIS  51           1HD      HIS  51   2.407 -11.850   7.318
  365    HD2  HIS  51           2HD      HIS  51   6.503 -10.980   7.741
  366    HE1  HIS  51           1HE      HIS  51   3.323 -13.518   9.017
  367    H    LEU  52           H        LEU  52   4.290  -6.648   5.856
  368    HA   LEU  52           HA       LEU  52   4.132  -6.337   3.022
  369    HB2  LEU  52           1HB      LEU  52   2.767  -4.976   4.491
  370    HB3  LEU  52           2HB      LEU  52   4.196  -4.292   5.274
  371    HG   LEU  52           HG       LEU  52   4.864  -3.197   3.144
  372   HD11  LEU  52          1HD1      LEU  52   3.268  -3.067   1.309
  373   HD12  LEU  52          2HD1      LEU  52   2.205  -4.256   2.094
  374   HD13  LEU  52          3HD1      LEU  52   3.821  -4.720   1.504
  375   HD21  LEU  52          3HD2      LEU  52   3.266  -1.444   3.137
  376   HD22  LEU  52          1HD2      LEU  52   3.433  -2.013   4.807
  377   HD23  LEU  52          2HD2      LEU  52   2.017  -2.481   3.832
  378    H    LYS  53           H        LYS  53   6.737  -5.306   5.327
  379    HA   LYS  53           HA       LYS  53   8.387  -4.045   3.342
  380    HB2  LYS  53           1HB      LYS  53   8.809  -3.512   5.589
  381    HB3  LYS  53           2HB      LYS  53   8.766  -5.191   6.119
  382    HG2  LYS  53           1HG      LYS  53  10.886  -5.671   5.022
  383    HG3  LYS  53           2HG      LYS  53  10.971  -4.016   4.384
  384    HD2  LYS  53           1HD      LYS  53  11.201  -3.100   6.613
  385    HD3  LYS  53           2HD      LYS  53  10.767  -4.661   7.365
  386    HE2  LYS  53           1HE      LYS  53  12.710  -5.729   6.383
  387    HE3  LYS  53           2HE      LYS  53  13.177  -4.226   5.569
  388    HZ1  LYS  53           3HZ      LYS  53  13.491  -3.212   7.776
  389    HZ2  LYS  53           1HZ      LYS  53  14.435  -4.535   7.639
  390    HZ3  LYS  53           2HZ      LYS  53  13.067  -4.603   8.524
  391    H    VAL  54           H        VAL  54   8.359  -7.412   4.610
  392    HA   VAL  54           HA       VAL  54  10.438  -8.370   2.923
  393    HB   VAL  54           HB       VAL  54   8.071  -9.873   4.105
  394   HG11  VAL  54          1HG1      VAL  54  10.598 -10.893   2.733
  395   HG12  VAL  54          2HG1      VAL  54   9.579 -11.895   3.802
  396   HG13  VAL  54          3HG1      VAL  54   8.904 -11.245   2.312
  397   HG21  VAL  54          3HG2      VAL  54   9.702 -10.598   5.776
  398   HG22  VAL  54          1HG2      VAL  54  10.988  -9.671   4.963
  399   HG23  VAL  54          2HG2      VAL  54   9.637  -8.834   5.750
  400    H    HIS  55           H        HIS  55   6.894  -8.288   2.286
  401    HA   HIS  55           HA       HIS  55   6.908  -9.440  -0.262
  402    HB2  HIS  55           1HB      HIS  55   4.833  -8.994   0.876
  403    HB3  HIS  55           2HB      HIS  55   5.165  -7.267   0.952
  404    HD1  HIS  55           1HD      HIS  55   4.103  -9.918  -1.629
  405    HD2  HIS  55           2HD      HIS  55   4.557  -5.768  -1.139
  406    HE1  HIS  55           1HE      HIS  55   3.119  -8.863  -3.715
  407    H    ILE  56           H        ILE  56   7.443  -5.947   0.515
  408    HA   ILE  56           HA       ILE  56   7.858  -5.275  -2.284
  409    HB   ILE  56           HB       ILE  56   8.554  -3.811   0.262
  410   HG12  ILE  56          1HG1      ILE  56   6.277  -3.285  -1.695
  411   HG13  ILE  56          2HG1      ILE  56   6.085  -4.257  -0.244
  412   HG21  ILE  56          1HG2      ILE  56   9.991  -3.075  -1.643
  413   HG22  ILE  56          2HG2      ILE  56   8.534  -2.797  -2.619
  414   HG23  ILE  56          3HG2      ILE  56   8.859  -1.811  -1.175
  415   HD11  ILE  56          3HD1      ILE  56   6.723  -2.355   1.179
  416   HD12  ILE  56          1HD1      ILE  56   6.834  -1.317  -0.267
  417   HD13  ILE  56          2HD1      ILE  56   5.282  -2.038   0.194
  418    H    GLU  57           H        GLU  57  10.094  -6.090   0.367
  419    HA   GLU  57           HA       GLU  57  12.536  -5.639  -1.064
  420    HB2  GLU  57           1HB      GLU  57  11.761  -7.363   1.315
  421    HB3  GLU  57           2HB      GLU  57  13.422  -7.240   0.783
  422    HG2  GLU  57           1HG      GLU  57  11.816  -4.738   1.445
  423    HG3  GLU  57           2HG      GLU  57  12.576  -5.731   2.681
  424    H    ARG  58           H        ARG  58  10.321  -8.231  -1.245
  425    HA   ARG  58           HA       ARG  58  12.281  -9.918  -2.783
  426    HB2  ARG  58           1HB      ARG  58  11.166 -11.832  -2.199
  427    HB3  ARG  58           2HB      ARG  58  11.054 -10.830  -0.768
  428    HG2  ARG  58           1HG      ARG  58   8.713 -10.183  -1.515
  429    HG3  ARG  58           2HG      ARG  58   8.867 -11.434  -2.765
  430    HD2  ARG  58           1HD      ARG  58   9.309 -13.110  -0.928
  431    HD3  ARG  58           2HD      ARG  58   9.043 -11.814   0.241
  432    HE   ARG  58           HE       ARG  58   6.776 -12.039  -0.005
  433   HH11  ARG  58          2HH1      ARG  58   8.187 -13.685  -2.767
  434   HH12  ARG  58          1HH1      ARG  58   6.648 -14.313  -3.281
  435   HH21  ARG  58          2HH2      ARG  58   4.863 -12.916  -0.704
  436   HH22  ARG  58          1HH2      ARG  58   4.828 -13.879  -2.148
  437    H    VAL  59           H        VAL  59   9.008  -8.529  -3.149
  438    HA   VAL  59           HA       VAL  59   8.883  -9.668  -5.831
  439    HB   VAL  59           HB       VAL  59   6.797  -7.952  -4.439
  440   HG11  VAL  59          1HG1      VAL  59   6.493  -7.985  -6.888
  441   HG12  VAL  59          2HG1      VAL  59   6.601  -9.759  -6.887
  442   HG13  VAL  59          3HG1      VAL  59   5.242  -8.935  -6.092
  443   HG21  VAL  59          3HG2      VAL  59   5.602 -10.161  -4.148
  444   HG22  VAL  59          1HG2      VAL  59   7.097 -10.981  -4.640
  445   HG23  VAL  59          2HG2      VAL  59   7.041  -9.990  -3.160
  446    H    HIS  60           H        HIS  60   9.010  -6.388  -4.378
  447    HA   HIS  60           HA       HIS  60   9.238  -5.179  -7.072
  448    HB2  HIS  60           1HB      HIS  60   8.410  -3.880  -4.495
  449    HB3  HIS  60           2HB      HIS  60   8.303  -3.196  -6.115
  450    HD1  HIS  60           1HD      HIS  60   6.533  -4.695  -7.813
  451    HD2  HIS  60           2HD      HIS  60   6.316  -5.109  -3.636
  452    HE1  HIS  60           1HE      HIS  60   4.237  -5.682  -7.339
  453    H    LYS  61           H        LYS  61  11.424  -6.310  -5.306
  454    HA   LYS  61           HA       LYS  61  13.300  -4.041  -5.106
  455    HB2  LYS  61           1HB      LYS  61  13.194  -5.793  -3.426
  456    HB3  LYS  61           2HB      LYS  61  13.629  -7.023  -4.599
  457    HG2  LYS  61           1HG      LYS  61  15.491  -4.671  -4.185
  458    HG3  LYS  61           2HG      LYS  61  15.344  -5.821  -2.877
  459    HD2  LYS  61           1HD      LYS  61  16.276  -6.450  -5.700
  460    HD3  LYS  61           2HD      LYS  61  17.264  -6.367  -4.254
  461    HE2  LYS  61           1HE      LYS  61  15.150  -8.456  -4.927
  462    HE3  LYS  61           2HE      LYS  61  16.896  -8.678  -4.853
  463    HZ1  LYS  61           3HZ      LYS  61  15.093  -8.143  -2.547
  464    HZ2  LYS  61           1HZ      LYS  61  16.736  -8.155  -2.431
  465    HZ3  LYS  61           2HZ      LYS  61  15.926  -9.509  -2.843
  466    H    LYS  62           H        LYS  62  15.312  -3.989  -6.359
  467    HA   LYS  62           HA       LYS  62  16.248  -3.622  -8.376
  468    HB2  LYS  62           1HB      LYS  62  16.644  -6.120  -8.101
  469    HB3  LYS  62           2HB      LYS  62  15.374  -6.360  -9.308
  470    HG2  LYS  62           1HG      LYS  62  16.693  -4.878 -10.885
  471    HG3  LYS  62           2HG      LYS  62  17.960  -4.761  -9.664
  472    HD2  LYS  62           1HD      LYS  62  17.003  -7.343 -10.983
  473    HD3  LYS  62           2HD      LYS  62  18.439  -6.421 -11.450
  474    HE2  LYS  62           1HE      LYS  62  19.393  -6.757  -9.169
  475    HE3  LYS  62           2HE      LYS  62  17.982  -7.730  -8.731
  476    HZ1  LYS  62           3HZ      LYS  62  19.902  -8.399 -10.899
  477    HZ2  LYS  62           1HZ      LYS  62  18.595  -9.296 -10.499
  478    HZ3  LYS  62           2HZ      LYS  62  19.830  -9.132  -9.444
  479    H    ILE  63           H        ILE  63  14.142  -2.291  -8.073
  480    HA   ILE  63           HA       ILE  63  12.747  -2.200 -10.703
  481    HB   ILE  63           HB       ILE  63  11.320  -2.628  -8.667
  482   HG12  ILE  63          1HG1      ILE  63  10.626  -0.107 -10.223
  483   HG13  ILE  63          2HG1      ILE  63  10.498  -1.753 -10.858
  484   HG21  ILE  63          1HG2      ILE  63  12.526  -1.033  -7.130
  485   HG22  ILE  63          2HG2      ILE  63  11.821   0.320  -8.044
  486   HG23  ILE  63          3HG2      ILE  63  10.780  -0.806  -7.156
  487   HD11  ILE  63          3HD1      ILE  63   8.318  -1.040 -10.109
  488   HD12  ILE  63          1HD1      ILE  63   8.891  -2.314  -9.016
  489   HD13  ILE  63          2HD1      ILE  63   8.935  -0.607  -8.511
  490    H    LYS  64           H        LYS  64  12.541  -0.148 -11.724
  491    HA   LYS  64           HA       LYS  64  14.895   1.503 -11.430
  492    HB2  LYS  64           1HB      LYS  64  12.450   1.795 -13.209
  493    HB3  LYS  64           2HB      LYS  64  13.866   2.856 -13.266
  494    HG2  LYS  64           1HG      LYS  64  15.328   0.914 -13.760
  495    HG3  LYS  64           2HG      LYS  64  13.916  -0.159 -13.742
  496    HD2  LYS  64           1HD      LYS  64  12.918   1.115 -15.623
  497    HD3  LYS  64           2HD      LYS  64  14.338   2.186 -15.649
  498    HE2  LYS  64           1HE      LYS  64  15.801   0.232 -16.108
  499    HE3  LYS  64           2HE      LYS  64  14.394  -0.839 -16.069
  500    HZ1  LYS  64           3HZ      LYS  64  14.975  -0.230 -18.346
  501    HZ2  LYS  64           1HZ      LYS  64  14.803   1.360 -18.027
  502    HZ3  LYS  64           2HZ      LYS  64  13.502   0.370 -17.990
  503    H    GLN  65           H        GLN  65  15.246   3.164 -10.264
  504    HA   GLN  65           HA       GLN  65  13.083   4.932  -9.175
  505    HB2  GLN  65           1HB      GLN  65  15.593   3.876  -7.794
  506    HB3  GLN  65           2HB      GLN  65  14.530   5.109  -7.127
  507    HG2  GLN  65           1HG      GLN  65  13.678   2.243  -7.716
  508    HG3  GLN  65           2HG      GLN  65  14.197   2.859  -6.154
  509   HE21  GLN  65          1HE2      GLN  65  12.888   4.857  -5.305
  510   HE22  GLN  65          2HE2      GLN  65  11.161   4.769  -5.606
  511    H    HIS  66           H        HIS  66  14.077   7.094  -8.420
  512    HA   HIS  66           HA       HIS  66  16.602   7.770  -9.797
  513    HB2  HIS  66           1HB      HIS  66  15.827   9.844 -10.653
  514    HB3  HIS  66           2HB      HIS  66  14.792   8.565 -11.264
  515    HD1  HIS  66           1HD      HIS  66  12.214   8.980 -10.917
  516    HD2  HIS  66           2HD      HIS  66  14.725  11.362  -8.526
  517    HE1  HIS  66           1HE      HIS  66  10.708  10.695  -9.783
  518    H    CYS  67           H        CYS  67  17.840   9.367  -8.927
  519    HA   CYS  67           HA       CYS  67  17.793   9.661  -6.066
  520    HB2  CYS  67           1HB      CYS  67  19.791   9.370  -7.485
  521    HB3  CYS  67           2HB      CYS  67  19.455  10.903  -8.284
  522    H    ARG  68           H        ARG  68  17.100  11.234  -4.793
  523    HA   ARG  68           HA       ARG  68  15.604  13.488  -5.953
  524    HB2  ARG  68           1HB      ARG  68  14.694  13.882  -3.815
  525    HB3  ARG  68           2HB      ARG  68  14.653  12.171  -4.147
  526    HG2  ARG  68           1HG      ARG  68  15.189  12.397  -1.868
  527    HG3  ARG  68           2HG      ARG  68  16.652  11.836  -2.660
  528    HD2  ARG  68           1HD      ARG  68  17.044  13.553  -0.887
  529    HD3  ARG  68           2HD      ARG  68  17.682  14.007  -2.451
  530    HE   ARG  68           HE       ARG  68  16.116  15.708  -2.687
  531   HH11  ARG  68          2HH1      ARG  68  15.396  13.990   0.288
  532   HH12  ARG  68          1HH1      ARG  68  14.328  15.244   0.857
  533   HH21  ARG  68          2HH2      ARG  68  14.756  17.264  -1.893
  534   HH22  ARG  68          1HH2      ARG  68  13.980  17.048  -0.352
  535    H    PHE  69           H        PHE  69  18.814  13.122  -5.330
  536    HA   PHE  69           HA       PHE  69  19.242  16.008  -4.651
  537    HB2  PHE  69           1HB      PHE  69  21.180  13.697  -4.672
  538    HB3  PHE  69           2HB      PHE  69  21.532  15.328  -4.148
  539    HD1  PHE  69           2HD      PHE  69  20.499  16.216  -2.023
  540    HD2  PHE  69           1HD      PHE  69  20.158  12.081  -3.202
  541    HE1  PHE  69           2HE      PHE  69  19.970  15.585   0.322
  542    HE2  PHE  69           1HE      PHE  69  19.647  11.455  -0.853
  543    HZ   PHE  69           HZ       PHE  69  19.559  13.203   0.912
  544    H    CYS  70           H        CYS  70  20.003  13.576  -7.174
  545    HA   CYS  70           HA       CYS  70  20.958  15.773  -8.943
  546    HB2  CYS  70           1HB      CYS  70  22.821  14.533  -9.686
  547    HB3  CYS  70           2HB      CYS  70  22.884  14.720  -7.938
  548    H    LYS  71           H        LYS  71  18.571  13.561  -8.738
  549    HA   LYS  71           HA       LYS  71  17.180  12.484 -10.150
  550    HB2  LYS  71           1HB      LYS  71  17.987  14.797 -11.932
  551    HB3  LYS  71           2HB      LYS  71  16.685  13.695 -12.342
  552    HG2  LYS  71           1HG      LYS  71  16.724  15.271  -9.735
  553    HG3  LYS  71           2HG      LYS  71  15.996  15.859 -11.232
  554    HD2  LYS  71           1HD      LYS  71  14.470  13.931 -11.309
  555    HD3  LYS  71           2HD      LYS  71  15.183  13.284  -9.818
  556    HE2  LYS  71           1HE      LYS  71  14.451  15.219  -8.544
  557    HE3  LYS  71           2HE      LYS  71  13.865  16.019 -10.007
  558    HZ1  LYS  71           3HZ      LYS  71  12.200  14.297 -10.251
  559    HZ2  LYS  71           1HZ      LYS  71  12.071  14.913  -8.747
  560    HZ3  LYS  71           2HZ      LYS  71  12.764  13.446  -8.981
  561    H    LYS  72           H        LYS  72  20.129  11.694 -10.344
  562    HA   LYS  72           HA       LYS  72  20.374  10.269 -12.835
  563    HB2  LYS  72           1HB      LYS  72  22.207  10.817 -11.121
  564    HB3  LYS  72           2HB      LYS  72  21.560   9.525 -10.129
  565    HG2  LYS  72           1HG      LYS  72  22.020   7.871 -11.878
  566    HG3  LYS  72           2HG      LYS  72  22.476   9.146 -13.023
  567    HD2  LYS  72           1HD      LYS  72  24.436   9.728 -11.699
  568    HD3  LYS  72           2HD      LYS  72  23.956   8.608 -10.412
  569    HE2  LYS  72           1HE      LYS  72  24.070   6.724 -12.089
  570    HE3  LYS  72           2HE      LYS  72  24.709   7.870 -13.278
  571    HZ1  LYS  72           3HZ      LYS  72  26.587   8.262 -11.745
  572    HZ2  LYS  72           1HZ      LYS  72  26.497   6.681 -12.147
  573    HZ3  LYS  72           2HZ      LYS  72  25.970   7.172 -10.681
  574    H    LYS  73           H        LYS  73  19.683   8.237 -13.427
  575    HA   LYS  73           HA       LYS  73  17.580   6.975 -11.760
  576    HB2  LYS  73           1HB      LYS  73  18.366   6.666 -14.669
  577    HB3  LYS  73           2HB      LYS  73  17.259   5.545 -13.857
  578    HG2  LYS  73           1HG      LYS  73  15.763   7.376 -13.227
  579    HG3  LYS  73           2HG      LYS  73  16.846   8.561 -13.980
  580    HD2  LYS  73           1HD      LYS  73  16.475   7.534 -16.191
  581    HD3  LYS  73           2HD      LYS  73  15.453   6.276 -15.453
  582    HE2  LYS  73           1HE      LYS  73  13.887   8.004 -14.640
  583    HE3  LYS  73           2HE      LYS  73  14.901   9.275 -15.337
  584    HZ1  LYS  73           3HZ      LYS  73  14.460   8.327 -17.543
  585    HZ2  LYS  73           1HZ      LYS  73  13.054   8.713 -16.813
  586    HZ3  LYS  73           2HZ      LYS  73  13.521   7.154 -16.901
  587    H    TYR  74           H        TYR  74  17.510   4.965 -11.080
  588    HA   TYR  74           HA       TYR  74  20.005   3.315 -11.059
  589    HB2  TYR  74           1HB      TYR  74  18.520   4.550  -8.734
  590    HB3  TYR  74           2HB      TYR  74  19.289   2.980  -8.533
  591    HD1  TYR  74           1HD      TYR  74  19.970   6.576  -9.261
  592    HD2  TYR  74           2HD      TYR  74  21.637   2.683  -8.491
  593    HE1  TYR  74           1HE      TYR  74  22.267   7.550  -9.348
  594    HE2  TYR  74           2HE      TYR  74  23.939   3.637  -8.611
  595    HH   TYR  74           HH       TYR  74  25.189   5.453  -9.056
  596    H    SER  75           H        SER  75  19.681   1.231 -11.425
  597    HA   SER  75           HA       SER  75  17.048   0.252 -12.039
  598    HB2  SER  75           1HB      SER  75  19.682  -1.256 -11.922
  599    HB3  SER  75           2HB      SER  75  18.200  -1.772 -12.751
  600    HG   SER  75           HG       SER  75  19.701  -0.766 -14.181
  601    H    ASP  76           H        ASP  76  18.559   0.351  -9.047
  602    HA   ASP  76           HA       ASP  76  16.474  -1.352  -7.926
  603    HB2  ASP  76           1HB      ASP  76  18.581  -2.813  -8.156
  604    HB3  ASP  76           2HB      ASP  76  19.357  -1.729  -7.013
  605    H    VAL  77           H        VAL  77  15.867  -0.676  -5.849
  606    HA   VAL  77           HA       VAL  77  16.511   2.072  -5.151
  607    HB   VAL  77           HB       VAL  77  14.305   0.985  -4.696
  608   HG11  VAL  77          1HG1      VAL  77  15.114  -1.199  -3.772
  609   HG12  VAL  77          2HG1      VAL  77  15.650  -0.337  -2.303
  610   HG13  VAL  77          3HG1      VAL  77  13.936  -0.374  -2.743
  611   HG21  VAL  77          3HG2      VAL  77  14.997   3.092  -3.609
  612   HG22  VAL  77          1HG2      VAL  77  13.933   2.124  -2.575
  613   HG23  VAL  77          2HG2      VAL  77  15.678   2.170  -2.250
  614    H    LYS  78           H        LYS  78  17.599  -1.124  -3.881
  615    HA   LYS  78           HA       LYS  78  19.199  -0.079  -1.747
  616    HB2  LYS  78           1HB      LYS  78  19.442  -2.596  -3.441
  617    HB3  LYS  78           2HB      LYS  78  20.531  -2.258  -2.106
  618    HG2  LYS  78           1HG      LYS  78  17.503  -2.465  -1.798
  619    HG3  LYS  78           2HG      LYS  78  18.645  -3.787  -1.532
  620    HD2  LYS  78           1HD      LYS  78  19.822  -2.352   0.185
  621    HD3  LYS  78           2HD      LYS  78  18.510  -1.178   0.056
  622    HE2  LYS  78           1HE      LYS  78  18.159  -4.114   0.817
  623    HE3  LYS  78           2HE      LYS  78  18.340  -2.798   1.980
  624    HZ1  LYS  78           3HZ      LYS  78  16.099  -3.075   0.047
  625    HZ2  LYS  78           1HZ      LYS  78  16.296  -1.804   1.079
  626    HZ3  LYS  78           2HZ      LYS  78  16.007  -3.327   1.623
  627    H    ASN  79           H        ASN  79  20.021  -0.424  -5.199
  628    HA   ASN  79           HA       ASN  79  22.758   0.471  -4.752
  629    HB2  ASN  79           1HB      ASN  79  21.060   0.231  -7.287
  630    HB3  ASN  79           2HB      ASN  79  22.762   0.688  -7.277
  631   HD21  ASN  79          1HD2      ASN  79  22.167  -1.432  -8.798
  632   HD22  ASN  79          2HD2      ASN  79  22.716  -2.904  -8.013
  633    H    LEU  80           H        LEU  80  19.699   2.159  -5.430
  634    HA   LEU  80           HA       LEU  80  20.868   4.739  -5.862
  635    HB2  LEU  80           1HB      LEU  80  18.486   4.176  -6.338
  636    HB3  LEU  80           2HB      LEU  80  18.223   3.962  -4.605
  637    HG   LEU  80           HG       LEU  80  18.701   6.321  -4.170
  638   HD11  LEU  80          1HD1      LEU  80  20.205   6.735  -6.157
  639   HD12  LEU  80          2HD1      LEU  80  18.926   7.909  -5.947
  640   HD13  LEU  80          3HD1      LEU  80  18.759   6.648  -7.193
  641   HD21  LEU  80          3HD2      LEU  80  16.664   7.231  -5.150
  642   HD22  LEU  80          1HD2      LEU  80  16.390   5.569  -4.602
  643   HD23  LEU  80          2HD2      LEU  80  16.611   5.908  -6.335
  644    H    ILE  81           H        ILE  81  19.868   3.034  -2.832
  645    HA   ILE  81           HA       ILE  81  20.587   5.129  -1.035
  646    HB   ILE  81           HB       ILE  81  20.945   2.184  -0.422
  647   HG12  ILE  81          1HG1      ILE  81  18.795   2.215  -1.269
  648   HG13  ILE  81          2HG1      ILE  81  18.652   2.173   0.434
  649   HG21  ILE  81          1HG2      ILE  81  21.852   3.683   1.252
  650   HG22  ILE  81          2HG2      ILE  81  20.339   4.618   1.294
  651   HG23  ILE  81          3HG2      ILE  81  20.372   2.937   1.877
  652   HD11  ILE  81          3HD1      ILE  81  18.194   4.637  -1.296
  653   HD12  ILE  81          1HD1      ILE  81  16.960   3.671  -0.471
  654   HD13  ILE  81          2HD1      ILE  81  18.117   4.621   0.481
  655    H    LYS  82           H        LYS  82  22.536   2.425  -2.332
  656    HA   LYS  82           HA       LYS  82  24.949   3.044  -1.023
  657    HB2  LYS  82           1HB      LYS  82  24.322   0.952  -2.344
  658    HB3  LYS  82           2HB      LYS  82  24.572   1.861  -3.823
  659    HG2  LYS  82           1HG      LYS  82  26.446   0.481  -3.455
  660    HG3  LYS  82           2HG      LYS  82  26.974   2.145  -3.254
  661    HD2  LYS  82           1HD      LYS  82  26.101   0.589  -0.810
  662    HD3  LYS  82           2HD      LYS  82  27.625   0.134  -1.552
  663    HE2  LYS  82           1HE      LYS  82  26.991   2.985  -0.674
  664    HE3  LYS  82           2HE      LYS  82  27.808   1.796   0.347
  665    HZ1  LYS  82           3HZ      LYS  82  29.578   1.665  -1.329
  666    HZ2  LYS  82           1HZ      LYS  82  29.378   3.234  -0.868
  667    HZ3  LYS  82           2HZ      LYS  82  28.809   2.782  -2.276
  668    H    HIS  83           H        HIS  83  23.756   4.293  -4.156
  669    HA   HIS  83           HA       HIS  83  25.919   6.112  -4.718
  670    HB2  HIS  83           1HB      HIS  83  24.408   5.571  -6.451
  671    HB3  HIS  83           2HB      HIS  83  22.990   5.920  -5.487
  672    HD1  HIS  83           1HD      HIS  83  25.747   7.839  -7.358
  673    HD2  HIS  83           2HD      HIS  83  22.018   8.360  -5.494
  674    HE1  HIS  83           1HE      HIS  83  25.000  10.186  -7.966
  675    H    ILE  84           H        ILE  84  22.882   6.683  -2.860
  676    HA   ILE  84           HA       ILE  84  23.476   9.417  -2.247
  677    HB   ILE  84           HB       ILE  84  21.772   7.280  -0.950
  678   HG12  ILE  84          1HG1      ILE  84  20.959   9.885  -2.306
  679   HG13  ILE  84          2HG1      ILE  84  21.261   8.420  -3.230
  680   HG21  ILE  84          1HG2      ILE  84  20.753   9.054   0.469
  681   HG22  ILE  84          2HG2      ILE  84  22.415   8.691   0.917
  682   HG23  ILE  84          3HG2      ILE  84  22.049  10.164  -0.024
  683   HD11  ILE  84          3HD1      ILE  84  18.915   8.570  -2.860
  684   HD12  ILE  84          1HD1      ILE  84  19.555   7.210  -1.904
  685   HD13  ILE  84          2HD1      ILE  84  19.128   8.742  -1.103
  686    H    ARG  85           H        ARG  85  24.291   6.447  -0.487
  687    HA   ARG  85           HA       ARG  85  25.841   7.682   1.608
  688    HB2  ARG  85           1HB      ARG  85  25.852   4.880   0.410
  689    HB3  ARG  85           2HB      ARG  85  26.796   5.337   1.832
  690    HG2  ARG  85           1HG      ARG  85  24.767   6.043   3.010
  691    HG3  ARG  85           2HG      ARG  85  23.758   5.591   1.634
  692    HD2  ARG  85           1HD      ARG  85  24.356   3.276   1.830
  693    HD3  ARG  85           2HD      ARG  85  25.556   3.614   3.083
  694    HE   ARG  85           HE       ARG  85  22.640   3.432   3.393
  695   HH11  ARG  85          2HH1      ARG  85  25.558   4.566   4.978
  696   HH12  ARG  85          1HH1      ARG  85  24.800   4.579   6.547
  697   HH21  ARG  85          2HH2      ARG  85  21.745   3.481   5.418
  698   HH22  ARG  85          1HH2      ARG  85  22.704   3.980   6.780
  699    H    ASP  86           H        ASP  86  26.725   7.170  -1.671
  700    HA   ASP  86           HA       ASP  86  29.630   7.539  -1.073
  701    HB2  ASP  86           1HB      ASP  86  28.143   6.745  -3.595
  702    HB3  ASP  86           2HB      ASP  86  29.866   7.100  -3.534
  703    H    ALA  87           H        ALA  87  27.016   9.148  -2.900
  704    HA   ALA  87           HA       ALA  87  28.850  11.369  -3.626
  705    HB1  ALA  87           1HB      ALA  87  27.708  10.089  -5.401
  706    HB2  ALA  87           2HB      ALA  87  26.130  10.542  -4.717
  707    HB3  ALA  87           3HB      ALA  87  27.201  11.790  -5.385
  708    H    HIS  88           H        HIS  88  25.921  10.813  -1.719
  709    HA   HIS  88           HA       HIS  88  25.641  13.755  -1.231
  710    HB2  HIS  88           1HB      HIS  88  23.433  11.686  -1.371
  711    HB3  HIS  88           2HB      HIS  88  23.262  13.425  -1.227
  712    HD1  HIS  88           1HD      HIS  88  24.738  14.636  -3.599
  713    HD2  HIS  88           2HD      HIS  88  22.775  10.927  -3.712
  714    HE1  HIS  88           1HE      HIS  88  24.217  14.201  -6.053
  715    H    ASP  89           H        ASP  89  27.096  11.670   0.369
  716    HA   ASP  89           HA       ASP  89  25.535  10.836   2.507
  717    HB2  ASP  89           1HB      ASP  89  27.429   9.764   3.293
  718    HB3  ASP  89           2HB      ASP  89  27.644   9.839   1.554
  719    HA   PRO  90           HA       PRO  90  25.711  14.202   5.406
  720    HB2  PRO  90           1HB      PRO  90  24.989  12.968   7.727
  721    HB3  PRO  90           2HB      PRO  90  23.881  13.180   6.341
  722    HG2  PRO  90           1HG      PRO  90  25.474  10.715   7.085
  723    HG3  PRO  90           2HG      PRO  90  23.754  10.824   6.597
  724    HD2  PRO  90           1HD      PRO  90  25.783  10.158   4.855
  725    HD3  PRO  90           2HD      PRO  90  24.333  11.039   4.310
  726    H    GLN  91           H        GLN  91  27.810  14.882   5.379
  727    HA   GLN  91           HA       GLN  91  29.956  13.464   6.771
  728    HB2  GLN  91           1HB      GLN  91  29.918  16.009   5.113
  729    HB3  GLN  91           2HB      GLN  91  31.377  15.284   5.818
  730    HG2  GLN  91           1HG      GLN  91  31.016  13.211   4.561
  731    HG3  GLN  91           2HG      GLN  91  29.516  13.845   3.886
  732   HE21  GLN  91          1HE2      GLN  91  30.608  13.211   1.833
  733   HE22  GLN  91          2HE2      GLN  91  31.691  14.409   1.099
  734    H    ASP  92           H        ASP  92  28.467  13.792   8.756
  735    HA   ASP  92           HA       ASP  92  29.612  15.969  10.444
  736    HB2  ASP  92           1HB      ASP  92  27.421  16.755   9.670
  737    HB3  ASP  92           2HB      ASP  92  26.659  15.274  10.240
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -41.769  18.773  20.677
    2    H2   GLY   1           2H       GLY   1 -40.646  17.632  21.025
    3    H3   GLY   1           3H       GLY   1 -40.359  18.731  19.845
    4    HA2  GLY   1           1HA      GLY   1 -40.336  20.537  21.441
    5    HA3  GLY   1           2HA      GLY   1 -40.626  19.340  22.716
    6    H    SER   2           H        SER   2 -38.668  19.990  23.753
    7    HA   SER   2           HA       SER   2 -36.094  19.967  22.527
    8    HB2  SER   2           1HB      SER   2 -36.817  19.608  25.458
    9    HB3  SER   2           2HB      SER   2 -35.229  20.069  24.813
   10    HG   SER   2           HG       SER   2 -36.459  21.895  25.491
   11    H    SER   3           H        SER   3 -34.319  18.547  22.775
   12    HA   SER   3           HA       SER   3 -34.914  15.702  22.685
   13    HB2  SER   3           1HB      SER   3 -32.446  15.498  22.370
   14    HB3  SER   3           2HB      SER   3 -33.253  16.553  21.200
   15    HG   SER   3           HG       SER   3 -31.315  17.482  22.029
   16    H    GLY   4           H        GLY   4 -33.869  14.079  23.988
   17    HA2  GLY   4           1HA      GLY   4 -34.118  14.536  26.835
   18    HA3  GLY   4           2HA      GLY   4 -33.605  13.047  26.048
   19    H    SER   5           H        SER   5 -32.531  14.125  28.443
   20    HA   SER   5           HA       SER   5 -30.007  15.454  27.977
   21    HB2  SER   5           1HB      SER   5 -31.092  14.159  30.501
   22    HB3  SER   5           2HB      SER   5 -29.725  15.288  30.394
   23    HG   SER   5           HG       SER   5 -31.688  16.340  30.975
   24    H    SER   6           H        SER   6 -29.681  13.411  26.362
   25    HA   SER   6           HA       SER   6 -28.674  10.971  27.481
   26    HB2  SER   6           1HB      SER   6 -29.622  11.277  25.192
   27    HB3  SER   6           2HB      SER   6 -28.139  12.129  24.722
   28    HG   SER   6           HG       SER   6 -28.119   9.881  24.198
   29    H    GLY   7           H        GLY   7 -26.984  13.964  26.546
   30    HA2  GLY   7           1HA      GLY   7 -24.881  14.747  27.085
   31    HA3  GLY   7           2HA      GLY   7 -24.749  13.437  28.253
   32    H    LYS   8           H        LYS   8 -23.236  11.991  27.887
   33    HA   LYS   8           HA       LYS   8 -21.507  10.805  27.026
   34    HB2  LYS   8           1HB      LYS   8 -23.357  10.611  24.651
   35    HB3  LYS   8           2HB      LYS   8 -21.925   9.606  24.895
   36    HG2  LYS   8           1HG      LYS   8 -22.823   8.592  26.876
   37    HG3  LYS   8           2HG      LYS   8 -24.150   9.745  26.947
   38    HD2  LYS   8           1HD      LYS   8 -24.939   8.834  24.681
   39    HD3  LYS   8           2HD      LYS   8 -23.730   7.557  24.883
   40    HE2  LYS   8           1HE      LYS   8 -25.814   6.674  25.666
   41    HE3  LYS   8           2HE      LYS   8 -24.814   6.971  27.093
   42    HZ1  LYS   8           3HZ      LYS   8 -26.990   8.754  26.100
   43    HZ2  LYS   8           1HZ      LYS   8 -26.065   9.094  27.384
   44    HZ3  LYS   8           2HZ      LYS   8 -27.073   7.798  27.427
   45    HA   PRO   9           HA       PRO   9 -19.721  14.541  24.830
   46    HB2  PRO   9           1HB      PRO   9 -17.628  14.914  26.637
   47    HB3  PRO   9           2HB      PRO   9 -19.243  15.642  26.739
   48    HG2  PRO   9           1HG      PRO   9 -18.269  13.207  28.182
   49    HG3  PRO   9           2HG      PRO   9 -19.181  14.600  28.836
   50    HD2  PRO   9           1HD      PRO   9 -20.423  12.307  28.132
   51    HD3  PRO   9           2HD      PRO   9 -21.180  13.889  27.802
   52    H    TYR  10           H        TYR  10 -18.203  11.589  26.091
   53    HA   TYR  10           HA       TYR  10 -15.829  11.933  24.423
   54    HB2  TYR  10           1HB      TYR  10 -16.729   9.650  26.203
   55    HB3  TYR  10           2HB      TYR  10 -15.162   9.778  25.418
   56    HD1  TYR  10           1HD      TYR  10 -17.348  11.146  28.062
   57    HD2  TYR  10           2HD      TYR  10 -13.473  11.404  26.189
   58    HE1  TYR  10           1HE      TYR  10 -16.520  12.447  29.990
   59    HE2  TYR  10           2HE      TYR  10 -12.650  12.769  28.110
   60    HH   TYR  10           HH       TYR  10 -14.725  13.559  30.922
   61    H    LYS  11           H        LYS  11 -16.128  11.674  22.278
   62    HA   LYS  11           HA       LYS  11 -17.872   9.491  21.190
   63    HB2  LYS  11           1HB      LYS  11 -16.758  12.029  19.933
   64    HB3  LYS  11           2HB      LYS  11 -17.451  10.721  18.993
   65    HG2  LYS  11           1HG      LYS  11 -19.132  12.325  19.198
   66    HG3  LYS  11           2HG      LYS  11 -19.612  10.961  20.207
   67    HD2  LYS  11           1HD      LYS  11 -19.023  12.198  22.233
   68    HD3  LYS  11           2HD      LYS  11 -18.246  13.468  21.273
   69    HE2  LYS  11           1HE      LYS  11 -20.314  14.368  21.948
   70    HE3  LYS  11           2HE      LYS  11 -20.491  13.976  20.236
   71    HZ1  LYS  11           3HZ      LYS  11 -21.469  12.325  22.509
   72    HZ2  LYS  11           1HZ      LYS  11 -21.677  11.941  20.920
   73    HZ3  LYS  11           2HZ      LYS  11 -22.413  13.255  21.552
   74    H    CYS  12           H        CYS  12 -17.183   8.036  19.636
   75    HA   CYS  12           HA       CYS  12 -14.367   7.330  19.587
   76    HB2  CYS  12           1HB      CYS  12 -16.097   5.665  19.704
   77    HB3  CYS  12           2HB      CYS  12 -16.823   6.242  18.198
   78    HA   PRO  13           HA       PRO  13 -13.629   9.761  15.819
   79    HB2  PRO  13           1HB      PRO  13 -11.043   9.077  15.348
   80    HB3  PRO  13           2HB      PRO  13 -11.516  10.079  16.755
   81    HG2  PRO  13           1HG      PRO  13 -10.949   7.105  16.676
   82    HG3  PRO  13           2HG      PRO  13 -10.359   8.316  17.856
   83    HD2  PRO  13           1HD      PRO  13 -12.588   6.699  18.256
   84    HD3  PRO  13           2HD      PRO  13 -12.394   8.308  19.009
   85    H    GLN  14           H        GLN  14 -13.842   6.327  16.083
   86    HA   GLN  14           HA       GLN  14 -13.413   5.915  13.152
   87    HB2  GLN  14           1HB      GLN  14 -13.363   3.830  15.351
   88    HB3  GLN  14           2HB      GLN  14 -12.944   3.631  13.654
   89    HG2  GLN  14           1HG      GLN  14 -11.231   5.639  14.268
   90    HG3  GLN  14           2HG      GLN  14 -11.438   4.975  15.885
   91   HE21  GLN  14          1HE2      GLN  14  -9.173   4.338  15.946
   92   HE22  GLN  14          2HE2      GLN  14  -8.615   2.982  14.977
   93    H    CYS  15           H        CYS  15 -15.879   5.581  15.694
   94    HA   CYS  15           HA       CYS  15 -17.830   4.984  13.543
   95    HB2  CYS  15           1HB      CYS  15 -18.782   3.082  14.635
   96    HB3  CYS  15           2HB      CYS  15 -17.070   2.791  14.373
   97    H    SER  16           H        SER  16 -20.118   4.686  14.831
   98    HA   SER  16           HA       SER  16 -20.733   7.390  15.685
   99    HB2  SER  16           1HB      SER  16 -23.067   6.548  15.716
  100    HB3  SER  16           2HB      SER  16 -22.222   6.229  14.195
  101    HG   SER  16           HG       SER  16 -23.383   4.388  14.955
  102    H    TYR  17           H        TYR  17 -19.460   4.941  17.501
  103    HA   TYR  17           HA       TYR  17 -21.030   4.836  19.853
  104    HB2  TYR  17           1HB      TYR  17 -19.269   3.271  19.319
  105    HB3  TYR  17           2HB      TYR  17 -18.049   4.532  19.386
  106    HD1  TYR  17           1HD      TYR  17 -20.422   2.443  21.351
  107    HD2  TYR  17           2HD      TYR  17 -17.142   5.242  21.582
  108    HE1  TYR  17           1HE      TYR  17 -20.041   1.817  23.736
  109    HE2  TYR  17           2HE      TYR  17 -16.750   4.589  23.951
  110    HH   TYR  17           HH       TYR  17 -17.275   3.079  25.598
  111    H    ALA  18           H        ALA  18 -21.001   5.857  21.784
  112    HA   ALA  18           HA       ALA  18 -19.068   7.914  22.404
  113    HB1  ALA  18           1HB      ALA  18 -20.653   9.708  22.855
  114    HB2  ALA  18           2HB      ALA  18 -20.830   9.198  21.164
  115    HB3  ALA  18           3HB      ALA  18 -22.022   8.675  22.374
  116    H    SER  19           H        SER  19 -19.029   8.500  24.628
  117    HA   SER  19           HA       SER  19 -20.720   6.969  26.536
  118    HB2  SER  19           1HB      SER  19 -18.640   5.635  26.069
  119    HB3  SER  19           2HB      SER  19 -17.679   7.008  26.654
  120    HG   SER  19           HG       SER  19 -19.450   5.305  28.067
  121    H    ALA  20           H        ALA  20 -20.525   7.701  28.733
  122    HA   ALA  20           HA       ALA  20 -20.016  10.597  29.041
  123    HB1  ALA  20           1HB      ALA  20 -21.204  10.331  31.164
  124    HB2  ALA  20           2HB      ALA  20 -22.158   9.662  29.827
  125    HB3  ALA  20           3HB      ALA  20 -21.277   8.571  30.924
  126    H    ILE  21           H        ILE  21 -18.166   7.815  29.299
  127    HA   ILE  21           HA       ILE  21 -16.407   8.969  31.436
  128    HB   ILE  21           HB       ILE  21 -17.141   6.055  30.996
  129   HG12  ILE  21          1HG1      ILE  21 -17.955   7.946  33.252
  130   HG13  ILE  21          2HG1      ILE  21 -19.025   7.315  31.999
  131   HG21  ILE  21          1HG2      ILE  21 -15.835   5.629  33.061
  132   HG22  ILE  21          2HG2      ILE  21 -14.827   6.344  31.828
  133   HG23  ILE  21          3HG2      ILE  21 -15.425   7.352  33.163
  134   HD11  ILE  21          3HD1      ILE  21 -19.457   6.066  33.960
  135   HD12  ILE  21          1HD1      ILE  21 -18.607   4.992  32.833
  136   HD13  ILE  21          2HD1      ILE  21 -17.748   5.706  34.224
  137    H    LYS  22           H        LYS  22 -14.351   9.264  30.822
  138    HA   LYS  22           HA       LYS  22 -13.370   8.762  28.214
  139    HB2  LYS  22           1HB      LYS  22 -12.552  10.471  29.820
  140    HB3  LYS  22           2HB      LYS  22 -11.719   9.199  30.727
  141    HG2  LYS  22           1HG      LYS  22 -10.280   8.694  28.841
  142    HG3  LYS  22           2HG      LYS  22 -11.292   9.635  27.736
  143    HD2  LYS  22           1HD      LYS  22  -9.270  10.851  28.210
  144    HD3  LYS  22           2HD      LYS  22 -10.669  11.711  28.867
  145    HE2  LYS  22           1HE      LYS  22 -10.160  10.839  31.132
  146    HE3  LYS  22           2HE      LYS  22  -8.788   9.928  30.483
  147    HZ1  LYS  22           3HZ      LYS  22  -9.031  12.892  30.458
  148    HZ2  LYS  22           1HZ      LYS  22  -7.763  12.052  29.858
  149    HZ3  LYS  22           2HZ      LYS  22  -8.072  12.034  31.459
  150    H    ALA  23           H        ALA  23 -12.889   6.797  31.165
  151    HA   ALA  23           HA       ALA  23 -11.173   4.839  30.045
  152    HB1  ALA  23           1HB      ALA  23 -11.868   3.461  31.947
  153    HB2  ALA  23           2HB      ALA  23 -11.592   5.135  32.458
  154    HB3  ALA  23           3HB      ALA  23 -13.252   4.528  32.251
  155    H    ASN  24           H        ASN  24 -14.712   5.134  29.765
  156    HA   ASN  24           HA       ASN  24 -14.999   2.478  28.531
  157    HB2  ASN  24           1HB      ASN  24 -16.878   4.748  29.188
  158    HB3  ASN  24           2HB      ASN  24 -17.358   3.510  28.046
  159   HD21  ASN  24          1HD2      ASN  24 -16.199   3.895  31.437
  160   HD22  ASN  24          2HD2      ASN  24 -16.986   2.422  31.975
  161    H    LEU  25           H        LEU  25 -14.272   5.721  27.381
  162    HA   LEU  25           HA       LEU  25 -14.602   4.914  24.575
  163    HB2  LEU  25           1HB      LEU  25 -14.854   7.260  25.135
  164    HB3  LEU  25           2HB      LEU  25 -13.232   7.314  25.834
  165    HG   LEU  25           HG       LEU  25 -12.228   6.859  23.622
  166   HD11  LEU  25          1HD1      LEU  25 -15.085   6.996  22.555
  167   HD12  LEU  25          2HD1      LEU  25 -14.023   5.569  22.518
  168   HD13  LEU  25          3HD1      LEU  25 -13.598   6.992  21.579
  169   HD21  LEU  25          3HD2      LEU  25 -14.209   9.150  23.455
  170   HD22  LEU  25          1HD2      LEU  25 -12.664   8.997  22.605
  171   HD23  LEU  25          2HD2      LEU  25 -12.677   9.195  24.366
  172    H    ASN  26           H        ASN  26 -11.795   5.262  26.836
  173    HA   ASN  26           HA       ASN  26  -9.737   4.427  25.119
  174    HB2  ASN  26           1HB      ASN  26 -10.144   3.617  28.041
  175    HB3  ASN  26           2HB      ASN  26  -8.634   3.495  27.161
  176   HD21  ASN  26          1HD2      ASN  26  -8.926   4.723  29.558
  177   HD22  ASN  26          2HD2      ASN  26  -8.530   6.436  29.351
  178    H    VAL  27           H        VAL  27 -11.860   2.325  27.109
  179    HA   VAL  27           HA       VAL  27 -10.689  -0.122  26.282
  180    HB   VAL  27           HB       VAL  27 -12.327   0.559  28.242
  181   HG11  VAL  27          1HG1      VAL  27 -14.338  -0.802  26.458
  182   HG12  VAL  27          2HG1      VAL  27 -14.525  -0.307  28.153
  183   HG13  VAL  27          3HG1      VAL  27 -14.334   0.924  26.905
  184   HG21  VAL  27          3HG2      VAL  27 -11.030  -1.469  28.094
  185   HG22  VAL  27          1HG2      VAL  27 -12.670  -1.848  28.649
  186   HG23  VAL  27          2HG2      VAL  27 -12.215  -2.168  26.951
  187    H    HIS  28           H        HIS  28 -13.312   1.729  24.951
  188    HA   HIS  28           HA       HIS  28 -14.273  -0.181  23.090
  189    HB2  HIS  28           1HB      HIS  28 -15.586   1.694  23.838
  190    HB3  HIS  28           2HB      HIS  28 -14.424   2.853  23.224
  191    HD1  HIS  28           1HD      HIS  28 -17.134   0.533  21.826
  192    HD2  HIS  28           2HD      HIS  28 -14.334   3.439  20.643
  193    HE1  HIS  28           1HE      HIS  28 -17.611   0.999  19.379
  194    H    LEU  29           H        LEU  29 -11.772   2.333  22.804
  195    HA   LEU  29           HA       LEU  29 -11.306   2.086  19.982
  196    HB2  LEU  29           1HB      LEU  29  -9.499   2.980  22.244
  197    HB3  LEU  29           2HB      LEU  29  -9.101   3.183  20.545
  198    HG   LEU  29           HG       LEU  29 -11.586   4.412  21.776
  199   HD11  LEU  29          1HD1      LEU  29  -8.841   5.672  21.376
  200   HD12  LEU  29          2HD1      LEU  29  -9.588   5.280  22.940
  201   HD13  LEU  29          3HD1      LEU  29 -10.314   6.518  21.906
  202   HD21  LEU  29          3HD2      LEU  29 -10.046   5.031  19.233
  203   HD22  LEU  29          1HD2      LEU  29 -11.418   5.949  19.886
  204   HD23  LEU  29          2HD2      LEU  29 -11.662   4.286  19.343
  205    H    ARG  30           H        ARG  30 -10.241   0.087  22.643
  206    HA   ARG  30           HA       ARG  30  -8.040  -1.273  21.450
  207    HB2  ARG  30           1HB      ARG  30 -10.162  -2.447  23.296
  208    HB3  ARG  30           2HB      ARG  30  -8.588  -3.151  22.956
  209    HG2  ARG  30           1HG      ARG  30  -7.444  -1.234  23.987
  210    HG3  ARG  30           2HG      ARG  30  -9.002  -0.452  24.306
  211    HD2  ARG  30           1HD      ARG  30  -9.686  -2.358  25.724
  212    HD3  ARG  30           2HD      ARG  30  -8.114  -3.133  25.431
  213    HE   ARG  30           HE       ARG  30  -7.639  -0.512  26.426
  214   HH11  ARG  30          2HH1      ARG  30  -8.860  -3.561  27.647
  215   HH12  ARG  30          1HH1      ARG  30  -8.364  -3.210  29.281
  216   HH21  ARG  30          2HH2      ARG  30  -7.026  -0.131  28.532
  217   HH22  ARG  30          1HH2      ARG  30  -7.357  -1.317  29.760
  218    H    LYS  31           H        LYS  31 -11.501  -1.735  20.954
  219    HA   LYS  31           HA       LYS  31 -11.384  -4.215  19.477
  220    HB2  LYS  31           1HB      LYS  31 -13.517  -2.046  19.282
  221    HB3  LYS  31           2HB      LYS  31 -13.696  -3.772  18.938
  222    HG2  LYS  31           1HG      LYS  31 -13.230  -4.246  21.369
  223    HG3  LYS  31           2HG      LYS  31 -13.165  -2.497  21.651
  224    HD2  LYS  31           1HD      LYS  31 -15.544  -2.415  20.603
  225    HD3  LYS  31           2HD      LYS  31 -15.556  -4.182  20.861
  226    HE2  LYS  31           1HE      LYS  31 -14.805  -3.701  23.249
  227    HE3  LYS  31           2HE      LYS  31 -15.029  -1.985  22.899
  228    HZ1  LYS  31           3HZ      LYS  31 -17.012  -2.934  23.981
  229    HZ2  LYS  31           1HZ      LYS  31 -17.170  -4.067  22.820
  230    HZ3  LYS  31           2HZ      LYS  31 -17.414  -2.495  22.458
  231    H    HIS  32           H        HIS  32 -11.051  -0.881  18.565
  232    HA   HIS  32           HA       HIS  32 -11.091  -1.360  15.675
  233    HB2  HIS  32           1HB      HIS  32 -10.416   1.115  17.313
  234    HB3  HIS  32           2HB      HIS  32 -10.509   1.051  15.567
  235    HD1  HIS  32           1HD      HIS  32 -13.171  -0.223  14.875
  236    HD2  HIS  32           2HD      HIS  32 -12.546   2.324  18.160
  237    HE1  HIS  32           1HE      HIS  32 -15.446   0.744  15.433
  238    H    THR  33           H        THR  33  -8.674  -2.175  17.823
  239    HA   THR  33           HA       THR  33  -6.393  -1.073  16.389
  240    HB   THR  33           HB       THR  33  -4.993  -2.485  17.787
  241    HG1  THR  33           1HG      THR  33  -7.338  -3.358  19.100
  242   HG21  THR  33          3HG2      THR  33  -5.656  -0.322  18.626
  243   HG22  THR  33          1HG2      THR  33  -5.588  -1.488  19.963
  244   HG23  THR  33          2HG2      THR  33  -7.158  -0.978  19.290
  245    H    GLY  34           H        GLY  34  -4.649  -2.324  15.476
  246    HA2  GLY  34           1HA      GLY  34  -3.774  -3.994  14.076
  247    HA3  GLY  34           2HA      GLY  34  -5.331  -4.817  14.041
  248    H    GLU  35           H        GLU  35  -3.468  -3.944  11.849
  249    HA   GLU  35           HA       GLU  35  -5.287  -2.259  10.185
  250    HB2  GLU  35           1HB      GLU  35  -2.395  -1.734  10.904
  251    HB3  GLU  35           2HB      GLU  35  -3.096  -1.119   9.402
  252    HG2  GLU  35           1HG      GLU  35  -4.808   0.103  10.635
  253    HG3  GLU  35           2HG      GLU  35  -4.215  -0.538  12.166
  254    H    LYS  36           H        LYS  36  -5.212  -2.450   8.052
  255    HA   LYS  36           HA       LYS  36  -3.736  -4.761   6.882
  256    HB2  LYS  36           1HB      LYS  36  -5.947  -3.004   5.739
  257    HB3  LYS  36           2HB      LYS  36  -5.033  -4.219   4.831
  258    HG2  LYS  36           1HG      LYS  36  -5.722  -5.896   6.662
  259    HG3  LYS  36           2HG      LYS  36  -6.895  -4.681   7.193
  260    HD2  LYS  36           1HD      LYS  36  -7.982  -4.709   4.981
  261    HD3  LYS  36           2HD      LYS  36  -6.692  -5.731   4.332
  262    HE2  LYS  36           1HE      LYS  36  -8.514  -7.178   4.709
  263    HE3  LYS  36           2HE      LYS  36  -7.301  -7.525   5.943
  264    HZ1  LYS  36           3HZ      LYS  36  -8.643  -6.209   7.519
  265    HZ2  LYS  36           1HZ      LYS  36  -9.552  -7.404   6.884
  266    HZ3  LYS  36           2HZ      LYS  36  -9.747  -5.875   6.359
  267    H    PHE  37           H        PHE  37  -1.788  -4.353   6.443
  268    HA   PHE  37           HA       PHE  37  -0.783  -1.747   5.517
  269    HB2  PHE  37           1HB      PHE  37   0.613  -4.390   6.098
  270    HB3  PHE  37           2HB      PHE  37   1.402  -2.854   5.762
  271    HD1  PHE  37           2HD      PHE  37   0.889  -0.833   7.259
  272    HD2  PHE  37           1HD      PHE  37  -0.038  -4.899   8.347
  273    HE1  PHE  37           2HE      PHE  37   0.676  -0.147   9.634
  274    HE2  PHE  37           1HE      PHE  37  -0.226  -4.217  10.729
  275    HZ   PHE  37           HZ       PHE  37   0.114  -1.834  11.368
  276    H    ALA  38           H        ALA  38  -1.197  -1.272   3.465
  277    HA   ALA  38           HA       ALA  38  -1.369  -3.358   1.395
  278    HB1  ALA  38           1HB      ALA  38  -2.377  -1.592   0.044
  279    HB2  ALA  38           2HB      ALA  38  -3.167  -1.650   1.636
  280    HB3  ALA  38           3HB      ALA  38  -1.976  -0.378   1.273
  281    H    CYS  39           H        CYS  39  -0.151  -3.495  -0.471
  282    HA   CYS  39           HA       CYS  39   2.509  -2.367  -0.476
  283    HB2  CYS  39           1HB      CYS  39   1.883  -4.556  -1.266
  284    HB3  CYS  39           2HB      CYS  39   0.853  -3.857  -2.519
  285    H    ASP  40           H        ASP  40   3.363  -0.750  -1.568
  286    HA   ASP  40           HA       ASP  40   1.593   1.331  -2.689
  287    HB2  ASP  40           1HB      ASP  40   3.487   1.822  -1.094
  288    HB3  ASP  40           2HB      ASP  40   4.615   1.331  -2.357
  289    H    TYR  41           H        TYR  41   2.996  -1.454  -3.858
  290    HA   TYR  41           HA       TYR  41   3.575  -0.350  -6.585
  291    HB2  TYR  41           1HB      TYR  41   4.805  -2.740  -5.160
  292    HB3  TYR  41           2HB      TYR  41   5.156  -2.188  -6.775
  293    HD1  TYR  41           1HD      TYR  41   6.570  -0.148  -7.097
  294    HD2  TYR  41           2HD      TYR  41   5.487  -1.561  -3.176
  295    HE1  TYR  41           1HE      TYR  41   8.333   1.311  -6.086
  296    HE2  TYR  41           2HE      TYR  41   7.242  -0.092  -2.160
  297    HH   TYR  41           HH       TYR  41   8.890   1.447  -2.551
  298    H    CYS  42           H        CYS  42   1.823  -2.827  -4.805
  299    HA   CYS  42           HA       CYS  42   0.216  -3.281  -7.241
  300    HB2  CYS  42           1HB      CYS  42   0.168  -5.702  -7.036
  301    HB3  CYS  42           2HB      CYS  42   1.811  -5.124  -7.338
  302    H    SER  43           H        SER  43  -1.644  -4.969  -6.535
  303    HA   SER  43           HA       SER  43  -3.266  -3.599  -4.562
  304    HB2  SER  43           1HB      SER  43  -3.806  -6.208  -6.022
  305    HB3  SER  43           2HB      SER  43  -5.001  -5.180  -5.213
  306    HG   SER  43           HG       SER  43  -4.575  -3.549  -6.742
  307    H    PHE  44           H        PHE  44  -0.782  -5.648  -3.896
  308    HA   PHE  44           HA       PHE  44  -1.860  -7.643  -2.230
  309    HB2  PHE  44           1HB      PHE  44   0.363  -7.729  -3.011
  310    HB3  PHE  44           2HB      PHE  44   0.810  -6.239  -2.215
  311    HD1  PHE  44           2HD      PHE  44   0.210  -9.852  -1.766
  312    HD2  PHE  44           1HD      PHE  44   1.313  -6.171   0.195
  313    HE1  PHE  44           2HE      PHE  44   1.065 -11.137   0.183
  314    HE2  PHE  44           1HE      PHE  44   2.163  -7.458   2.137
  315    HZ   PHE  44           HZ       PHE  44   2.051  -9.944   2.129
  316    H    THR  45           H        THR  45  -2.105  -7.850  -0.039
  317    HA   THR  45           HA       THR  45  -1.678  -5.598   1.792
  318    HB   THR  45           HB       THR  45  -3.896  -5.958   2.865
  319    HG1  THR  45           1HG      THR  45  -4.461  -7.932   1.816
  320   HG21  THR  45          3HG2      THR  45  -3.478  -4.026   1.503
  321   HG22  THR  45          1HG2      THR  45  -5.163  -4.550   1.333
  322   HG23  THR  45          2HG2      THR  45  -3.993  -4.893   0.032
  323    H    CYS  46           H        CYS  46  -1.400  -6.148   3.905
  324    HA   CYS  46           HA       CYS  46  -1.767  -8.958   4.773
  325    HB2  CYS  46           1HB      CYS  46   0.553  -8.722   3.801
  326    HB3  CYS  46           2HB      CYS  46   0.926  -7.560   5.090
  327    HG   CYS  46           HG       CYS  46   1.903 -10.051   5.505
  328    H    LEU  47           H        LEU  47  -1.795  -9.246   7.064
  329    HA   LEU  47           HA       LEU  47  -2.669  -6.869   8.576
  330    HB2  LEU  47           1HB      LEU  47  -2.717  -9.862   9.064
  331    HB3  LEU  47           2HB      LEU  47  -3.027  -8.738  10.365
  332    HG   LEU  47           HG       LEU  47  -5.079  -9.604   9.451
  333   HD11  LEU  47          1HD1      LEU  47  -6.315  -7.539   9.217
  334   HD12  LEU  47          2HD1      LEU  47  -4.838  -6.639   8.816
  335   HD13  LEU  47          3HD1      LEU  47  -5.048  -7.332  10.437
  336   HD21  LEU  47          3HD2      LEU  47  -4.512  -8.127   6.856
  337   HD22  LEU  47          1HD2      LEU  47  -5.951  -9.074   7.279
  338   HD23  LEU  47          2HD2      LEU  47  -4.395  -9.891   7.074
  339    H    SER  48           H        SER  48   0.329  -8.158   7.984
  340    HA   SER  48           HA       SER  48   1.462  -7.104  10.553
  341    HB2  SER  48           1HB      SER  48   2.440  -9.454   8.901
  342    HB3  SER  48           2HB      SER  48   3.310  -8.731  10.264
  343    HG   SER  48           HG       SER  48   0.727  -9.944  10.352
  344    H    LYS  49           H        LYS  49   2.786  -5.455  10.334
  345    HA   LYS  49           HA       LYS  49   3.309  -4.257   7.798
  346    HB2  LYS  49           1HB      LYS  49   2.996  -3.239  10.164
  347    HB3  LYS  49           2HB      LYS  49   4.723  -3.534  10.390
  348    HG2  LYS  49           1HG      LYS  49   5.194  -2.115   8.383
  349    HG3  LYS  49           2HG      LYS  49   3.448  -1.895   8.152
  350    HD2  LYS  49           1HD      LYS  49   3.353  -0.890  10.490
  351    HD3  LYS  49           2HD      LYS  49   5.129  -0.939  10.508
  352    HE2  LYS  49           1HE      LYS  49   5.134   0.450   8.411
  353    HE3  LYS  49           2HE      LYS  49   3.365   0.517   8.487
  354    HZ1  LYS  49           3HZ      LYS  49   3.570   1.661  10.633
  355    HZ2  LYS  49           1HZ      LYS  49   4.368   2.494   9.481
  356    HZ3  LYS  49           2HZ      LYS  49   5.201   1.601  10.560
  357    H    GLY  50           H        GLY  50   5.392  -6.223   9.882
  358    HA2  GLY  50           1HA      GLY  50   7.852  -5.926   8.434
  359    HA3  GLY  50           2HA      GLY  50   7.402  -7.288   9.468
  360    H    HIS  51           H        HIS  51   5.054  -8.134   7.934
  361    HA   HIS  51           HA       HIS  51   6.363  -9.641   5.817
  362    HB2  HIS  51           1HB      HIS  51   3.444  -9.369   6.564
  363    HB3  HIS  51           2HB      HIS  51   4.095 -10.510   5.385
  364    HD1  HIS  51           1HD      HIS  51   2.560 -11.739   7.767
  365    HD2  HIS  51           2HD      HIS  51   6.700 -10.978   7.723
  366    HE1  HIS  51           1HE      HIS  51   3.589 -13.273   9.521
  367    H    LEU  52           H        LEU  52   4.306  -6.692   5.848
  368    HA   LEU  52           HA       LEU  52   4.148  -6.456   2.990
  369    HB2  LEU  52           1HB      LEU  52   2.721  -5.080   4.399
  370    HB3  LEU  52           2HB      LEU  52   4.122  -4.354   5.192
  371    HG   LEU  52           HG       LEU  52   4.824  -3.311   3.041
  372   HD11  LEU  52          1HD1      LEU  52   2.164  -4.366   1.982
  373   HD12  LEU  52          2HD1      LEU  52   3.775  -4.907   1.447
  374   HD13  LEU  52          3HD1      LEU  52   3.284  -3.249   1.171
  375   HD21  LEU  52          3HD2      LEU  52   3.358  -2.100   4.660
  376   HD22  LEU  52          1HD2      LEU  52   1.963  -2.597   3.662
  377   HD23  LEU  52          2HD2      LEU  52   3.222  -1.568   2.974
  378    H    LYS  53           H        LYS  53   6.643  -5.297   5.330
  379    HA   LYS  53           HA       LYS  53   8.384  -4.123   3.386
  380    HB2  LYS  53           1HB      LYS  53   8.754  -3.655   5.672
  381    HB3  LYS  53           2HB      LYS  53   8.842  -5.354   6.126
  382    HG2  LYS  53           1HG      LYS  53  10.951  -5.658   4.975
  383    HG3  LYS  53           2HG      LYS  53  10.903  -4.017   4.324
  384    HD2  LYS  53           1HD      LYS  53  10.968  -4.720   7.296
  385    HD3  LYS  53           2HD      LYS  53  12.409  -4.366   6.326
  386    HE2  LYS  53           1HE      LYS  53  11.497  -2.105   5.803
  387    HE3  LYS  53           2HE      LYS  53  10.091  -2.442   6.821
  388    HZ1  LYS  53           3HZ      LYS  53  12.904  -2.361   7.777
  389    HZ2  LYS  53           1HZ      LYS  53  11.607  -2.678   8.720
  390    HZ3  LYS  53           2HZ      LYS  53  11.784  -1.205   8.041
  391    H    VAL  54           H        VAL  54   8.399  -7.515   4.631
  392    HA   VAL  54           HA       VAL  54  10.460  -8.410   2.895
  393    HB   VAL  54           HB       VAL  54   8.132  -9.971   4.083
  394   HG11  VAL  54          1HG1      VAL  54  10.633 -10.959   2.633
  395   HG12  VAL  54          2HG1      VAL  54   9.629 -11.983   3.692
  396   HG13  VAL  54          3HG1      VAL  54   8.936 -11.296   2.224
  397   HG21  VAL  54          3HG2      VAL  54  11.071  -9.804   4.875
  398   HG22  VAL  54          1HG2      VAL  54   9.753  -8.957   5.704
  399   HG23  VAL  54          2HG2      VAL  54   9.789 -10.722   5.704
  400    H    HIS  55           H        HIS  55   6.923  -8.283   2.276
  401    HA   HIS  55           HA       HIS  55   6.930  -9.492  -0.264
  402    HB2  HIS  55           1HB      HIS  55   4.845  -9.038   0.819
  403    HB3  HIS  55           2HB      HIS  55   5.183  -7.318   0.942
  404    HD1  HIS  55           1HD      HIS  55   4.201  -9.897  -1.741
  405    HD2  HIS  55           2HD      HIS  55   4.531  -5.756  -1.087
  406    HE1  HIS  55           1HE      HIS  55   3.196  -8.789  -3.789
  407    H    ILE  56           H        ILE  56   7.460  -5.996   0.503
  408    HA   ILE  56           HA       ILE  56   7.931  -5.300  -2.283
  409    HB   ILE  56           HB       ILE  56   8.576  -3.858   0.296
  410   HG12  ILE  56          1HG1      ILE  56   6.303  -3.323  -1.658
  411   HG13  ILE  56          2HG1      ILE  56   6.116  -4.311  -0.216
  412   HG21  ILE  56          1HG2      ILE  56   8.876  -1.832  -1.092
  413   HG22  ILE  56          2HG2      ILE  56  10.013  -3.073  -1.600
  414   HG23  ILE  56          3HG2      ILE  56   8.548  -2.773  -2.562
  415   HD11  ILE  56          3HD1      ILE  56   6.736  -2.416   1.226
  416   HD12  ILE  56          1HD1      ILE  56   6.849  -1.366  -0.207
  417   HD13  ILE  56          2HD1      ILE  56   5.299  -2.095   0.236
  418    H    GLU  57           H        GLU  57  10.113  -6.139   0.399
  419    HA   GLU  57           HA       GLU  57  12.584  -5.648  -0.974
  420    HB2  GLU  57           1HB      GLU  57  11.791  -7.461   1.300
  421    HB3  GLU  57           2HB      GLU  57  13.459  -7.232   0.854
  422    HG2  GLU  57           1HG      GLU  57  11.807  -4.776   1.493
  423    HG3  GLU  57           2HG      GLU  57  12.374  -5.836   2.780
  424    H    ARG  58           H        ARG  58  10.363  -8.211  -1.342
  425    HA   ARG  58           HA       ARG  58  12.407  -9.833  -2.842
  426    HB2  ARG  58           1HB      ARG  58  11.385 -11.804  -2.263
  427    HB3  ARG  58           2HB      ARG  58  11.229 -10.824  -0.826
  428    HG2  ARG  58           1HG      ARG  58   8.858 -10.277  -1.549
  429    HG3  ARG  58           2HG      ARG  58   9.041 -11.502  -2.815
  430    HD2  ARG  58           1HD      ARG  58   9.392 -12.002   0.162
  431    HD3  ARG  58           2HD      ARG  58   7.898 -12.310  -0.738
  432    HE   ARG  58           HE       ARG  58   9.920 -13.695  -2.111
  433   HH11  ARG  58          2HH1      ARG  58   8.467 -13.922   1.071
  434   HH12  ARG  58          1HH1      ARG  58   8.831 -15.619   1.213
  435   HH21  ARG  58          2HH2      ARG  58  10.354 -15.857  -1.860
  436   HH22  ARG  58          1HH2      ARG  58   9.865 -16.680  -0.409
  437    H    VAL  59           H        VAL  59   9.073  -8.588  -3.154
  438    HA   VAL  59           HA       VAL  59   8.943  -9.695  -5.846
  439    HB   VAL  59           HB       VAL  59   6.858  -8.004  -4.409
  440   HG11  VAL  59          1HG1      VAL  59   6.523  -7.990  -6.846
  441   HG12  VAL  59          2HG1      VAL  59   6.649  -9.763  -6.886
  442   HG13  VAL  59          3HG1      VAL  59   5.291  -8.971  -6.056
  443   HG21  VAL  59          3HG2      VAL  59   7.164 -11.029  -4.673
  444   HG22  VAL  59          1HG2      VAL  59   7.151 -10.073  -3.171
  445   HG23  VAL  59          2HG2      VAL  59   5.683 -10.217  -4.124
  446    H    HIS  60           H        HIS  60   8.887  -6.430  -4.377
  447    HA   HIS  60           HA       HIS  60   9.244  -5.156  -7.024
  448    HB2  HIS  60           1HB      HIS  60   8.446  -3.912  -4.404
  449    HB3  HIS  60           2HB      HIS  60   8.365  -3.168  -6.000
  450    HD1  HIS  60           1HD      HIS  60   6.587  -4.588  -7.757
  451    HD2  HIS  60           2HD      HIS  60   6.299  -5.076  -3.590
  452    HE1  HIS  60           1HE      HIS  60   4.275  -5.537  -7.339
  453    H    LYS  61           H        LYS  61  11.440  -6.424  -5.375
  454    HA   LYS  61           HA       LYS  61  13.210  -4.366  -4.475
  455    HB2  LYS  61           1HB      LYS  61  13.117  -6.763  -3.818
  456    HB3  LYS  61           2HB      LYS  61  13.708  -7.229  -5.410
  457    HG2  LYS  61           1HG      LYS  61  15.471  -7.361  -3.806
  458    HG3  LYS  61           2HG      LYS  61  15.868  -6.071  -4.937
  459    HD2  LYS  61           1HD      LYS  61  15.599  -4.389  -3.327
  460    HD3  LYS  61           2HD      LYS  61  14.401  -5.318  -2.399
  461    HE2  LYS  61           1HE      LYS  61  16.080  -6.869  -1.629
  462    HE3  LYS  61           2HE      LYS  61  17.338  -6.068  -2.592
  463    HZ1  LYS  61           3HZ      LYS  61  17.031  -4.075  -1.225
  464    HZ2  LYS  61           1HZ      LYS  61  17.354  -5.342  -0.244
  465    HZ3  LYS  61           2HZ      LYS  61  15.822  -4.778  -0.371
  466    H    LYS  62           H        LYS  62  15.150  -3.608  -5.429
  467    HA   LYS  62           HA       LYS  62  16.348  -2.495  -7.008
  468    HB2  LYS  62           1HB      LYS  62  16.671  -5.023  -7.571
  469    HB3  LYS  62           2HB      LYS  62  15.792  -4.655  -9.041
  470    HG2  LYS  62           1HG      LYS  62  18.367  -3.318  -8.074
  471    HG3  LYS  62           2HG      LYS  62  18.251  -4.612  -9.267
  472    HD2  LYS  62           1HD      LYS  62  16.875  -3.061 -10.725
  473    HD3  LYS  62           2HD      LYS  62  17.256  -1.753  -9.576
  474    HE2  LYS  62           1HE      LYS  62  19.687  -2.201  -9.918
  475    HE3  LYS  62           2HE      LYS  62  19.283  -3.463 -11.093
  476    HZ1  LYS  62           3HZ      LYS  62  19.770  -1.381 -12.218
  477    HZ2  LYS  62           1HZ      LYS  62  18.660  -0.570 -11.332
  478    HZ3  LYS  62           2HZ      LYS  62  18.180  -1.701 -12.426
  479    H    ILE  63           H        ILE  63  14.539  -0.998  -6.731
  480    HA   ILE  63           HA       ILE  63  13.145  -0.224  -9.248
  481    HB   ILE  63           HB       ILE  63  11.828  -1.829  -7.769
  482   HG12  ILE  63          1HG1      ILE  63  10.346   0.774  -8.128
  483   HG13  ILE  63          2HG1      ILE  63  10.883  -0.199  -9.506
  484   HG21  ILE  63          1HG2      ILE  63  12.445  -0.939  -5.572
  485   HG22  ILE  63          2HG2      ILE  63  11.656   0.609  -5.933
  486   HG23  ILE  63          3HG2      ILE  63  10.694  -0.848  -5.775
  487   HD11  ILE  63          3HD1      ILE  63   9.046  -1.198  -7.286
  488   HD12  ILE  63          1HD1      ILE  63   8.557  -0.729  -8.921
  489   HD13  ILE  63          2HD1      ILE  63   9.601  -2.142  -8.681
  490    H    LYS  64           H        LYS  64  11.996   1.847  -8.954
  491    HA   LYS  64           HA       LYS  64  13.616   4.008  -7.880
  492    HB2  LYS  64           1HB      LYS  64  10.691   3.976  -8.757
  493    HB3  LYS  64           2HB      LYS  64  11.637   5.426  -8.394
  494    HG2  LYS  64           1HG      LYS  64  13.194   4.888 -10.237
  495    HG3  LYS  64           2HG      LYS  64  12.248   3.443 -10.633
  496    HD2  LYS  64           1HD      LYS  64  10.272   4.869 -11.102
  497    HD3  LYS  64           2HD      LYS  64  11.228   6.317 -10.711
  498    HE2  LYS  64           1HE      LYS  64  12.825   5.751 -12.532
  499    HE3  LYS  64           2HE      LYS  64  11.876   4.310 -12.921
  500    HZ1  LYS  64           3HZ      LYS  64  11.303   6.163 -14.381
  501    HZ2  LYS  64           1HZ      LYS  64  10.879   7.105 -13.120
  502    HZ3  LYS  64           2HZ      LYS  64  10.003   5.772 -13.477
  503    H    GLN  65           H        GLN  65  13.499   5.089  -5.961
  504    HA   GLN  65           HA       GLN  65  11.644   4.075  -3.819
  505    HB2  GLN  65           1HB      GLN  65  14.690   4.161  -3.902
  506    HB3  GLN  65           2HB      GLN  65  13.818   4.048  -2.380
  507    HG2  GLN  65           1HG      GLN  65  13.489   2.056  -4.622
  508    HG3  GLN  65           2HG      GLN  65  14.614   1.888  -3.282
  509   HE21  GLN  65          1HE2      GLN  65  12.933  -0.189  -3.429
  510   HE22  GLN  65          2HE2      GLN  65  11.654  -0.044  -2.235
  511    H    HIS  66           H        HIS  66  12.199   5.267  -1.669
  512    HA   HIS  66           HA       HIS  66  13.017   8.060  -2.080
  513    HB2  HIS  66           1HB      HIS  66  11.281   8.985  -0.719
  514    HB3  HIS  66           2HB      HIS  66  10.551   8.110  -2.057
  515    HD1  HIS  66           1HD      HIS  66   9.114   5.896  -1.384
  516    HD2  HIS  66           2HD      HIS  66  10.891   8.029   1.781
  517    HE1  HIS  66           1HE      HIS  66   8.066   4.999   0.761
  518    H    CYS  67           H        CYS  67  14.100   9.004  -0.383
  519    HA   CYS  67           HA       CYS  67  15.601   7.286   1.321
  520    HB2  CYS  67           1HB      CYS  67  16.432   9.352   0.299
  521    HB3  CYS  67           2HB      CYS  67  15.263  10.302   1.216
  522    H    ARG  68           H        ARG  68  15.357   6.613   3.313
  523    HA   ARG  68           HA       ARG  68  12.930   7.273   4.827
  524    HB2  ARG  68           1HB      ARG  68  13.424   5.445   6.233
  525    HB3  ARG  68           2HB      ARG  68  13.756   4.965   4.586
  526    HG2  ARG  68           1HG      ARG  68  15.578   4.049   5.598
  527    HG3  ARG  68           2HG      ARG  68  16.259   5.605   5.154
  528    HD2  ARG  68           1HD      ARG  68  16.945   5.053   7.379
  529    HD3  ARG  68           2HD      ARG  68  15.848   6.408   7.517
  530    HE   ARG  68           HE       ARG  68  15.346   3.550   8.242
  531   HH11  ARG  68          2HH1      ARG  68  14.031   6.822   8.408
  532   HH12  ARG  68          1HH1      ARG  68  13.018   6.404   9.763
  533   HH21  ARG  68          2HH2      ARG  68  13.974   3.117   9.903
  534   HH22  ARG  68          1HH2      ARG  68  12.952   4.369  10.544
  535    H    PHE  69           H        PHE  69  15.784   8.884   4.589
  536    HA   PHE  69           HA       PHE  69  15.597   9.961   7.387
  537    HB2  PHE  69           1HB      PHE  69  17.865  10.145   5.409
  538    HB3  PHE  69           2HB      PHE  69  17.875  10.755   7.049
  539    HD1  PHE  69           2HD      PHE  69  17.961   9.156   8.986
  540    HD2  PHE  69           1HD      PHE  69  18.323   7.838   4.896
  541    HE1  PHE  69           2HE      PHE  69  19.036   7.053   9.758
  542    HE2  PHE  69           1HE      PHE  69  19.414   5.741   5.671
  543    HZ   PHE  69           HZ       PHE  69  19.786   5.355   8.099
  544    H    CYS  70           H        CYS  70  15.681  10.928   3.926
  545    HA   CYS  70           HA       CYS  70  14.750  13.626   4.731
  546    HB2  CYS  70           1HB      CYS  70  16.241  14.776   3.412
  547    HB3  CYS  70           2HB      CYS  70  17.141  13.684   4.450
  548    H    LYS  71           H        LYS  71  13.544  11.149   3.294
  549    HA   LYS  71           HA       LYS  71  11.906  10.696   1.825
  550    HB2  LYS  71           1HB      LYS  71  11.060  13.535   2.461
  551    HB3  LYS  71           2HB      LYS  71  10.032  12.241   1.829
  552    HG2  LYS  71           1HG      LYS  71  10.579  10.866   3.875
  553    HG3  LYS  71           2HG      LYS  71  11.433  12.274   4.543
  554    HD2  LYS  71           1HD      LYS  71   9.340  13.607   4.394
  555    HD3  LYS  71           2HD      LYS  71   8.505  12.178   3.740
  556    HE2  LYS  71           1HE      LYS  71   9.027  10.921   5.817
  557    HE3  LYS  71           2HE      LYS  71   9.863  12.336   6.469
  558    HZ1  LYS  71           3HZ      LYS  71   7.743  13.542   6.388
  559    HZ2  LYS  71           1HZ      LYS  71   7.584  12.197   7.296
  560    HZ3  LYS  71           2HZ      LYS  71   6.970  12.233   5.786
  561    H    LYS  72           H        LYS  72  14.265  12.407   0.646
  562    HA   LYS  72           HA       LYS  72  13.510  13.357  -1.933
  563    HB2  LYS  72           1HB      LYS  72  15.987  12.273  -0.587
  564    HB3  LYS  72           2HB      LYS  72  16.000  12.613  -2.353
  565    HG2  LYS  72           1HG      LYS  72  15.243  14.940  -1.866
  566    HG3  LYS  72           2HG      LYS  72  15.282  14.554  -0.136
  567    HD2  LYS  72           1HD      LYS  72  17.787  13.875  -0.566
  568    HD3  LYS  72           2HD      LYS  72  17.593  14.703  -2.115
  569    HE2  LYS  72           1HE      LYS  72  18.531  16.253  -0.550
  570    HE3  LYS  72           2HE      LYS  72  16.857  16.746  -0.900
  571    HZ1  LYS  72           3HZ      LYS  72  16.166  15.924   1.203
  572    HZ2  LYS  72           1HZ      LYS  72  17.547  16.730   1.547
  573    HZ3  LYS  72           2HZ      LYS  72  17.521  15.078   1.468
  574    H    LYS  73           H        LYS  73  13.036  12.298  -3.829
  575    HA   LYS  73           HA       LYS  73  12.850   9.352  -3.834
  576    HB2  LYS  73           1HB      LYS  73  11.954  11.478  -5.791
  577    HB3  LYS  73           2HB      LYS  73  11.916   9.747  -6.177
  578    HG2  LYS  73           1HG      LYS  73  10.449   9.269  -4.299
  579    HG3  LYS  73           2HG      LYS  73  10.601  10.913  -3.695
  580    HD2  LYS  73           1HD      LYS  73   8.447  10.676  -4.788
  581    HD3  LYS  73           2HD      LYS  73   9.457  11.795  -5.691
  582    HE2  LYS  73           1HE      LYS  73   8.304  10.428  -7.275
  583    HE3  LYS  73           2HE      LYS  73  10.005   9.972  -7.321
  584    HZ1  LYS  73           3HZ      LYS  73   8.528   8.030  -7.293
  585    HZ2  LYS  73           1HZ      LYS  73   7.872   8.484  -5.871
  586    HZ3  LYS  73           2HZ      LYS  73   9.443   8.028  -5.941
  587    H    TYR  74           H        TYR  74  13.963   7.931  -5.026
  588    HA   TYR  74           HA       TYR  74  16.364   8.908  -6.523
  589    HB2  TYR  74           1HB      TYR  74  16.168   7.012  -4.202
  590    HB3  TYR  74           2HB      TYR  74  17.322   6.647  -5.479
  591    HD1  TYR  74           1HD      TYR  74  16.359   9.289  -2.994
  592    HD2  TYR  74           2HD      TYR  74  19.323   7.852  -5.773
  593    HE1  TYR  74           1HE      TYR  74  17.861  11.181  -2.364
  594    HE2  TYR  74           2HE      TYR  74  20.818   9.759  -5.161
  595    HH   TYR  74           HH       TYR  74  19.805  12.294  -2.852
  596    H    SER  75           H        SER  75  16.654   8.123  -8.458
  597    HA   SER  75           HA       SER  75  14.649   6.614  -9.756
  598    HB2  SER  75           1HB      SER  75  17.465   7.222 -10.726
  599    HB3  SER  75           2HB      SER  75  16.064   6.805 -11.729
  600    HG   SER  75           HG       SER  75  16.416   9.079 -11.630
  601    H    ASP  76           H        ASP  76  17.312   5.422  -7.973
  602    HA   ASP  76           HA       ASP  76  16.514   2.687  -8.601
  603    HB2  ASP  76           1HB      ASP  76  18.539   3.377 -10.138
  604    HB3  ASP  76           2HB      ASP  76  19.490   3.309  -8.665
  605    H    VAL  77           H        VAL  77  16.647   1.423  -6.743
  606    HA   VAL  77           HA       VAL  77  17.186   2.523  -4.198
  607    HB   VAL  77           HB       VAL  77  15.919   0.421  -4.659
  608   HG11  VAL  77          1HG1      VAL  77  18.619  -0.983  -4.731
  609   HG12  VAL  77          2HG1      VAL  77  17.013  -1.716  -4.813
  610   HG13  VAL  77          3HG1      VAL  77  17.591  -0.708  -6.156
  611   HG21  VAL  77          3HG2      VAL  77  16.653   1.081  -2.369
  612   HG22  VAL  77          1HG2      VAL  77  16.525  -0.674  -2.579
  613   HG23  VAL  77          2HG2      VAL  77  18.120   0.105  -2.577
  614    H    LYS  78           H        LYS  78  19.477   0.923  -6.463
  615    HA   LYS  78           HA       LYS  78  21.683   0.719  -4.630
  616    HB2  LYS  78           1HB      LYS  78  21.630   1.070  -7.659
  617    HB3  LYS  78           2HB      LYS  78  23.076   0.689  -6.716
  618    HG2  LYS  78           1HG      LYS  78  22.073  -1.420  -5.935
  619    HG3  LYS  78           2HG      LYS  78  20.564  -1.045  -6.761
  620    HD2  LYS  78           1HD      LYS  78  21.798  -2.638  -8.097
  621    HD3  LYS  78           2HD      LYS  78  21.680  -1.101  -8.944
  622    HE2  LYS  78           1HE      LYS  78  23.887  -1.961  -9.292
  623    HE3  LYS  78           2HE      LYS  78  24.020  -0.546  -8.252
  624    HZ1  LYS  78           3HZ      LYS  78  25.384  -2.401  -7.455
  625    HZ2  LYS  78           1HZ      LYS  78  24.084  -3.373  -7.318
  626    HZ3  LYS  78           2HZ      LYS  78  24.241  -2.068  -6.343
  627    H    ASN  79           H        ASN  79  20.605   3.449  -6.639
  628    HA   ASN  79           HA       ASN  79  22.880   5.116  -5.842
  629    HB2  ASN  79           1HB      ASN  79  20.247   5.751  -7.268
  630    HB3  ASN  79           2HB      ASN  79  21.534   6.924  -6.988
  631   HD21  ASN  79          1HD2      ASN  79  20.816   6.663  -9.539
  632   HD22  ASN  79          2HD2      ASN  79  22.025   5.743 -10.422
  633    H    LEU  80           H        LEU  80  19.612   4.534  -4.561
  634    HA   LEU  80           HA       LEU  80  19.651   6.707  -2.690
  635    HB2  LEU  80           1HB      LEU  80  17.612   5.353  -3.217
  636    HB3  LEU  80           2HB      LEU  80  18.382   3.961  -2.437
  637    HG   LEU  80           HG       LEU  80  18.398   5.078  -0.280
  638   HD11  LEU  80          1HD1      LEU  80  18.489   7.475  -1.132
  639   HD12  LEU  80          2HD1      LEU  80  17.339   7.163   0.146
  640   HD13  LEU  80          3HD1      LEU  80  16.769   7.315  -1.537
  641   HD21  LEU  80          3HD2      LEU  80  15.661   5.176  -1.576
  642   HD22  LEU  80          1HD2      LEU  80  16.008   5.022   0.159
  643   HD23  LEU  80          2HD2      LEU  80  16.457   3.711  -0.947
  644    H    ILE  81           H        ILE  81  20.900   3.324  -2.470
  645    HA   ILE  81           HA       ILE  81  21.869   3.505   0.201
  646    HB   ILE  81           HB       ILE  81  23.275   1.993  -2.022
  647   HG12  ILE  81          1HG1      ILE  81  21.082   1.278  -2.264
  648   HG13  ILE  81          2HG1      ILE  81  21.917   0.046  -1.427
  649   HG21  ILE  81          1HG2      ILE  81  23.109   1.594   0.987
  650   HG22  ILE  81          2HG2      ILE  81  23.873   0.459  -0.150
  651   HG23  ILE  81          3HG2      ILE  81  24.535   2.085   0.048
  652   HD11  ILE  81          3HD1      ILE  81  19.976   2.021  -0.159
  653   HD12  ILE  81          1HD1      ILE  81  19.693   0.300  -0.468
  654   HD13  ILE  81          2HD1      ILE  81  20.895   0.792   0.741
  655    H    LYS  82           H        LYS  82  23.480   4.320  -2.885
  656    HA   LYS  82           HA       LYS  82  25.933   5.201  -1.826
  657    HB2  LYS  82           1HB      LYS  82  25.307   4.758  -4.254
  658    HB3  LYS  82           2HB      LYS  82  24.440   6.283  -4.268
  659    HG2  LYS  82           1HG      LYS  82  26.507   6.587  -5.352
  660    HG3  LYS  82           2HG      LYS  82  26.566   7.507  -3.855
  661    HD2  LYS  82           1HD      LYS  82  27.649   4.680  -3.897
  662    HD3  LYS  82           2HD      LYS  82  28.580   5.922  -4.717
  663    HE2  LYS  82           1HE      LYS  82  27.734   6.141  -1.793
  664    HE3  LYS  82           2HE      LYS  82  29.275   5.460  -2.328
  665    HZ1  LYS  82           3HZ      LYS  82  29.443   7.837  -1.756
  666    HZ2  LYS  82           1HZ      LYS  82  28.362   8.247  -2.843
  667    HZ3  LYS  82           2HZ      LYS  82  29.802   7.613  -3.348
  668    H    HIS  83           H        HIS  83  22.950   7.102  -2.352
  669    HA   HIS  83           HA       HIS  83  23.865   9.598  -1.252
  670    HB2  HIS  83           1HB      HIS  83  21.894   9.588  -2.553
  671    HB3  HIS  83           2HB      HIS  83  21.173   8.264  -1.664
  672    HD1  HIS  83           1HD      HIS  83  21.898  12.018  -1.133
  673    HD2  HIS  83           2HD      HIS  83  19.641   8.812   0.377
  674    HE1  HIS  83           1HE      HIS  83  20.273  13.043   0.523
  675    H    ILE  84           H        ILE  84  22.278   6.814   0.405
  676    HA   ILE  84           HA       ILE  84  22.288   8.067   2.990
  677    HB   ILE  84           HB       ILE  84  22.161   5.192   2.053
  678   HG12  ILE  84          1HG1      ILE  84  20.046   6.897   3.438
  679   HG13  ILE  84          2HG1      ILE  84  20.265   6.936   1.694
  680   HG21  ILE  84          1HG2      ILE  84  23.173   5.085   4.287
  681   HG22  ILE  84          2HG2      ILE  84  21.936   6.185   4.930
  682   HG23  ILE  84          3HG2      ILE  84  21.499   4.557   4.372
  683   HD11  ILE  84          3HD1      ILE  84  19.492   4.497   3.315
  684   HD12  ILE  84          1HD1      ILE  84  18.494   5.422   2.170
  685   HD13  ILE  84          2HD1      ILE  84  19.900   4.490   1.582
  686    H    ARG  85           H        ARG  85  24.683   5.949   1.432
  687    HA   ARG  85           HA       ARG  85  26.662   6.003   3.512
  688    HB2  ARG  85           1HB      ARG  85  26.882   5.660   0.491
  689    HB3  ARG  85           2HB      ARG  85  28.257   5.499   1.588
  690    HG2  ARG  85           1HG      ARG  85  27.116   3.707   2.818
  691    HG3  ARG  85           2HG      ARG  85  25.702   3.846   1.780
  692    HD2  ARG  85           1HD      ARG  85  26.987   1.967   1.031
  693    HD3  ARG  85           2HD      ARG  85  27.068   3.244  -0.196
  694    HE   ARG  85           HE       ARG  85  29.299   3.406   1.645
  695   HH11  ARG  85          2HH1      ARG  85  28.246   1.481  -1.087
  696   HH12  ARG  85          1HH1      ARG  85  29.877   1.073  -1.541
  697   HH21  ARG  85          2HH2      ARG  85  31.351   2.848   1.007
  698   HH22  ARG  85          1HH2      ARG  85  31.583   1.822  -0.378
  699    H    ASP  86           H        ASP  86  25.857   8.509   1.255
  700    HA   ASP  86           HA       ASP  86  28.347  10.033   1.848
  701    HB2  ASP  86           1HB      ASP  86  26.072  10.507  -0.105
  702    HB3  ASP  86           2HB      ASP  86  27.392  11.642   0.162
  703    H    ALA  87           H        ALA  87  24.813  10.474   2.225
  704    HA   ALA  87           HA       ALA  87  25.258  13.022   3.680
  705    HB1  ALA  87           1HB      ALA  87  22.920  13.442   3.091
  706    HB2  ALA  87           2HB      ALA  87  23.848  12.977   1.651
  707    HB3  ALA  87           3HB      ALA  87  22.763  11.801   2.431
  708    H    HIS  88           H        HIS  88  24.059   9.767   4.306
  709    HA   HIS  88           HA       HIS  88  23.219  10.559   7.063
  710    HB2  HIS  88           1HB      HIS  88  21.970   8.430   5.314
  711    HB3  HIS  88           2HB      HIS  88  21.410   8.996   6.875
  712    HD1  HIS  88           1HD      HIS  88  20.938  11.987   6.597
  713    HD2  HIS  88           2HD      HIS  88  20.459   9.253   3.449
  714    HE1  HIS  88           1HE      HIS  88  19.346  13.097   4.950
  715    H    ASP  89           H        ASP  89  25.823   9.595   6.179
  716    HA   ASP  89           HA       ASP  89  26.281   6.947   6.276
  717    HB2  ASP  89           1HB      ASP  89  28.597   7.422   6.590
  718    HB3  ASP  89           2HB      ASP  89  27.876   8.664   5.577
  719    HA   PRO  90           HA       PRO  90  25.694   5.579  10.431
  720    HB2  PRO  90           1HB      PRO  90  26.673   3.044  10.326
  721    HB3  PRO  90           2HB      PRO  90  25.235   3.561   9.393
  722    HG2  PRO  90           1HG      PRO  90  28.107   3.368   8.425
  723    HG3  PRO  90           2HG      PRO  90  26.632   2.711   7.645
  724    HD2  PRO  90           1HD      PRO  90  27.730   5.115   6.929
  725    HD3  PRO  90           2HD      PRO  90  25.961   4.851   6.906
  726    H    GLN  91           H        GLN  91  26.692   5.038  12.407
  727    HA   GLN  91           HA       GLN  91  29.508   5.932  12.658
  728    HB2  GLN  91           1HB      GLN  91  28.921   6.238  15.076
  729    HB3  GLN  91           2HB      GLN  91  28.123   7.278  13.919
  730    HG2  GLN  91           1HG      GLN  91  26.617   6.553  15.721
  731    HG3  GLN  91           2HG      GLN  91  26.027   6.105  14.130
  732   HE21  GLN  91          1HE2      GLN  91  27.766   4.749  17.008
  733   HE22  GLN  91          2HE2      GLN  91  27.161   3.118  16.746
  734    H    ASP  92           H        ASP  92  28.224   3.004  12.216
  735    HA   ASP  92           HA       ASP  92  30.414   1.609  13.645
  736    HB2  ASP  92           1HB      ASP  92  28.472   1.458  15.143
  737    HB3  ASP  92           2HB      ASP  92  27.483   0.820  13.834
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1  -5.501 -28.818 -11.052
    2    H2   GLY   1           2H       GLY   1  -5.528 -30.448 -11.205
    3    H3   GLY   1           3H       GLY   1  -5.080 -29.516 -12.475
    4    HA2  GLY   1           1HA      GLY   1  -3.141 -30.535 -11.474
    5    HA3  GLY   1           2HA      GLY   1  -3.106 -28.768 -11.338
    6    H    SER   2           H        SER   2  -1.854 -30.906  -9.650
    7    HA   SER   2           HA       SER   2  -3.203 -31.369  -7.250
    8    HB2  SER   2           1HB      SER   2  -0.198 -31.135  -7.645
    9    HB3  SER   2           2HB      SER   2  -1.035 -32.024  -6.358
   10    HG   SER   2           HG       SER   2  -0.399 -33.402  -8.085
   11    H    SER   3           H        SER   3  -1.570 -28.398  -8.148
   12    HA   SER   3           HA       SER   3  -1.133 -27.272  -5.549
   13    HB2  SER   3           1HB      SER   3  -1.118 -25.115  -6.817
   14    HB3  SER   3           2HB      SER   3  -0.047 -26.358  -7.485
   15    HG   SER   3           HG       SER   3  -1.303 -25.305  -9.112
   16    H    GLY   4           H        GLY   4  -4.087 -27.716  -7.385
   17    HA2  GLY   4           1HA      GLY   4  -5.711 -25.840  -5.814
   18    HA3  GLY   4           2HA      GLY   4  -6.269 -27.024  -6.996
   19    H    SER   5           H        SER   5  -4.347 -28.786  -5.001
   20    HA   SER   5           HA       SER   5  -4.656 -30.442  -3.548
   21    HB2  SER   5           1HB      SER   5  -6.843 -28.770  -2.275
   22    HB3  SER   5           2HB      SER   5  -6.129 -30.239  -1.602
   23    HG   SER   5           HG       SER   5  -4.710 -27.851  -2.247
   24    H    SER   6           H        SER   6  -5.866 -32.319  -3.007
   25    HA   SER   6           HA       SER   6  -7.991 -33.025  -4.931
   26    HB2  SER   6           1HB      SER   6  -6.207 -34.643  -4.330
   27    HB3  SER   6           2HB      SER   6  -6.809 -34.657  -2.658
   28    HG   SER   6           HG       SER   6  -7.684 -36.365  -3.963
   29    H    GLY   7           H        GLY   7 -10.144 -32.966  -4.492
   30    HA2  GLY   7           1HA      GLY   7 -12.119 -32.399  -3.408
   31    HA3  GLY   7           2HA      GLY   7 -11.404 -33.020  -1.918
   32    H    LYS   8           H        LYS   8 -11.866 -31.460  -0.468
   33    HA   LYS   8           HA       LYS   8 -11.890 -29.489   0.678
   34    HB2  LYS   8           1HB      LYS   8  -9.193 -29.229  -0.669
   35    HB3  LYS   8           2HB      LYS   8  -9.740 -28.276   0.716
   36    HG2  LYS   8           1HG      LYS   8 -10.010 -30.321   2.065
   37    HG3  LYS   8           2HG      LYS   8  -9.454 -31.307   0.701
   38    HD2  LYS   8           1HD      LYS   8  -7.275 -30.124   0.718
   39    HD3  LYS   8           2HD      LYS   8  -7.827 -29.130   2.084
   40    HE2  LYS   8           1HE      LYS   8  -8.144 -31.197   3.443
   41    HE3  LYS   8           2HE      LYS   8  -7.563 -32.171   2.085
   42    HZ1  LYS   8           3HZ      LYS   8  -5.965 -30.104   3.510
   43    HZ2  LYS   8           1HZ      LYS   8  -5.424 -31.004   2.255
   44    HZ3  LYS   8           2HZ      LYS   8  -5.785 -31.717   3.677
   45    HA   PRO   9           HA       PRO   9 -13.423 -27.084  -3.055
   46    HB2  PRO   9           1HB      PRO   9 -16.027 -26.746  -2.113
   47    HB3  PRO   9           2HB      PRO   9 -15.430 -28.112  -3.083
   48    HG2  PRO   9           1HG      PRO   9 -15.770 -28.037  -0.111
   49    HG3  PRO   9           2HG      PRO   9 -16.294 -29.304  -1.261
   50    HD2  PRO   9           1HD      PRO   9 -13.980 -29.533   0.113
   51    HD3  PRO   9           2HD      PRO   9 -14.073 -30.040  -1.596
   52    H    TYR  10           H        TYR  10 -13.748 -26.455   0.424
   53    HA   TYR  10           HA       TYR  10 -14.321 -23.625  -0.004
   54    HB2  TYR  10           1HB      TYR  10 -13.789 -25.214   2.522
   55    HB3  TYR  10           2HB      TYR  10 -14.320 -23.537   2.456
   56    HD1  TYR  10           1HD      TYR  10 -15.289 -27.053   1.859
   57    HD2  TYR  10           2HD      TYR  10 -16.619 -22.954   1.774
   58    HE1  TYR  10           1HE      TYR  10 -17.637 -27.828   1.750
   59    HE2  TYR  10           2HE      TYR  10 -18.981 -23.730   1.606
   60    HH   TYR  10           HH       TYR  10 -20.397 -25.537   1.529
   61    H    LYS  11           H        LYS  11 -12.670 -22.459  -0.791
   62    HA   LYS  11           HA       LYS  11  -9.872 -22.770   0.232
   63    HB2  LYS  11           1HB      LYS  11 -11.009 -21.460  -2.268
   64    HB3  LYS  11           2HB      LYS  11  -9.383 -21.147  -1.693
   65    HG2  LYS  11           1HG      LYS  11  -9.147 -22.743  -3.365
   66    HG3  LYS  11           2HG      LYS  11  -8.849 -23.579  -1.845
   67    HD2  LYS  11           1HD      LYS  11 -11.069 -24.642  -1.965
   68    HD3  LYS  11           2HD      LYS  11 -11.494 -23.638  -3.362
   69    HE2  LYS  11           1HE      LYS  11 -10.947 -25.747  -4.268
   70    HE3  LYS  11           2HE      LYS  11  -9.567 -24.704  -4.621
   71    HZ1  LYS  11           3HZ      LYS  11  -9.757 -26.712  -2.442
   72    HZ2  LYS  11           1HZ      LYS  11  -8.462 -25.713  -2.655
   73    HZ3  LYS  11           2HZ      LYS  11  -8.805 -26.835  -3.781
   74    H    CYS  12           H        CYS  12  -8.653 -21.045   0.988
   75    HA   CYS  12           HA       CYS  12 -10.068 -18.850   2.258
   76    HB2  CYS  12           1HB      CYS  12  -8.280 -20.012   3.349
   77    HB3  CYS  12           2HB      CYS  12  -7.158 -19.622   2.038
   78    HA   PRO  13           HA       PRO  13  -9.368 -16.108  -1.285
   79    HB2  PRO  13           1HB      PRO  13 -10.385 -13.799  -0.261
   80    HB3  PRO  13           2HB      PRO  13 -11.419 -15.197  -0.683
   81    HG2  PRO  13           1HG      PRO  13 -10.389 -14.374   2.040
   82    HG3  PRO  13           2HG      PRO  13 -12.037 -14.904   1.588
   83    HD2  PRO  13           1HD      PRO  13 -10.082 -16.577   2.670
   84    HD3  PRO  13           2HD      PRO  13 -11.417 -17.153   1.630
   85    H    GLN  14           H        GLN  14  -7.738 -16.032   1.749
   86    HA   GLN  14           HA       GLN  14  -6.001 -13.739   0.924
   87    HB2  GLN  14           1HB      GLN  14  -6.485 -14.779   3.731
   88    HB3  GLN  14           2HB      GLN  14  -5.592 -13.344   3.234
   89    HG2  GLN  14           1HG      GLN  14  -7.923 -12.744   2.049
   90    HG3  GLN  14           2HG      GLN  14  -8.559 -13.865   3.248
   91   HE21  GLN  14          1HE2      GLN  14  -9.563 -12.570   4.802
   92   HE22  GLN  14          2HE2      GLN  14  -8.779 -11.187   5.549
   93    H    CYS  15           H        CYS  15  -5.891 -17.165   1.799
   94    HA   CYS  15           HA       CYS  15  -3.059 -17.134   0.927
   95    HB2  CYS  15           1HB      CYS  15  -2.219 -18.351   2.799
   96    HB3  CYS  15           2HB      CYS  15  -2.997 -16.888   3.383
   97    H    SER  16           H        SER  16  -2.296 -19.663   1.180
   98    HA   SER  16           HA       SER  16  -3.726 -20.968  -0.983
   99    HB2  SER  16           1HB      SER  16  -1.889 -22.629  -0.816
  100    HB3  SER  16           2HB      SER  16  -1.322 -20.959  -0.966
  101    HG   SER  16           HG       SER  16  -0.195 -22.129   0.673
  102    H    TYR  17           H        TYR  17  -4.490 -20.968   2.229
  103    HA   TYR  17           HA       TYR  17  -4.896 -23.670   2.938
  104    HB2  TYR  17           1HB      TYR  17  -4.984 -21.835   4.510
  105    HB3  TYR  17           2HB      TYR  17  -6.361 -21.123   3.693
  106    HD1  TYR  17           1HD      TYR  17  -5.169 -23.930   5.821
  107    HD2  TYR  17           2HD      TYR  17  -8.643 -22.000   4.133
  108    HE1  TYR  17           1HE      TYR  17  -6.639 -25.209   7.369
  109    HE2  TYR  17           2HE      TYR  17 -10.104 -23.257   5.709
  110    HH   TYR  17           HH       TYR  17  -8.767 -25.584   8.086
  111    H    ALA  18           H        ALA  18  -6.577 -25.072   2.869
  112    HA   ALA  18           HA       ALA  18  -9.153 -24.322   1.801
  113    HB1  ALA  18           1HB      ALA  18  -7.871 -24.964  -0.263
  114    HB2  ALA  18           2HB      ALA  18  -7.624 -26.581   0.430
  115    HB3  ALA  18           3HB      ALA  18  -9.270 -26.009   0.054
  116    H    SER  19           H        SER  19 -10.827 -25.841   2.301
  117    HA   SER  19           HA       SER  19 -10.155 -28.293   3.804
  118    HB2  SER  19           1HB      SER  19 -10.338 -26.341   5.454
  119    HB3  SER  19           2HB      SER  19 -12.060 -26.279   5.042
  120    HG   SER  19           HG       SER  19 -10.554 -28.419   6.185
  121    H    ALA  20           H        ALA  20 -12.128 -29.554   4.352
  122    HA   ALA  20           HA       ALA  20 -14.000 -29.630   2.077
  123    HB1  ALA  20           1HB      ALA  20 -14.515 -31.874   2.899
  124    HB2  ALA  20           2HB      ALA  20 -12.762 -31.658   2.736
  125    HB3  ALA  20           3HB      ALA  20 -13.522 -31.592   4.345
  126    H    ILE  21           H        ILE  21 -14.062 -28.033   4.969
  127    HA   ILE  21           HA       ILE  21 -17.030 -28.263   5.295
  128    HB   ILE  21           HB       ILE  21 -14.896 -28.236   7.458
  129   HG12  ILE  21          1HG1      ILE  21 -16.834 -30.431   6.593
  130   HG13  ILE  21          2HG1      ILE  21 -15.085 -30.437   6.371
  131   HG21  ILE  21          1HG2      ILE  21 -17.930 -28.340   7.757
  132   HG22  ILE  21          2HG2      ILE  21 -16.741 -28.446   9.078
  133   HG23  ILE  21          3HG2      ILE  21 -16.876 -26.967   8.174
  134   HD11  ILE  21          3HD1      ILE  21 -15.546 -31.882   8.186
  135   HD12  ILE  21          1HD1      ILE  21 -14.798 -30.424   8.867
  136   HD13  ILE  21          2HD1      ILE  21 -16.557 -30.688   9.006
  137    H    LYS  22           H        LYS  22 -18.103 -26.378   5.420
  138    HA   LYS  22           HA       LYS  22 -16.869 -23.857   4.898
  139    HB2  LYS  22           1HB      LYS  22 -19.183 -24.519   4.325
  140    HB3  LYS  22           2HB      LYS  22 -19.641 -24.399   6.029
  141    HG2  LYS  22           1HG      LYS  22 -19.240 -22.022   6.063
  142    HG3  LYS  22           2HG      LYS  22 -18.328 -22.083   4.552
  143    HD2  LYS  22           1HD      LYS  22 -20.500 -21.099   4.148
  144    HD3  LYS  22           2HD      LYS  22 -20.314 -22.609   3.275
  145    HE2  LYS  22           1HE      LYS  22 -22.541 -22.575   4.100
  146    HE3  LYS  22           2HE      LYS  22 -21.665 -23.787   5.032
  147    HZ1  LYS  22           3HZ      LYS  22 -23.048 -22.351   6.440
  148    HZ2  LYS  22           1HZ      LYS  22 -22.253 -21.015   5.951
  149    HZ3  LYS  22           2HZ      LYS  22 -21.482 -22.153   6.842
  150    H    ALA  23           H        ALA  23 -17.982 -25.231   7.999
  151    HA   ALA  23           HA       ALA  23 -17.401 -22.990   9.643
  152    HB1  ALA  23           1HB      ALA  23 -17.328 -25.957  10.343
  153    HB2  ALA  23           2HB      ALA  23 -17.473 -24.605  11.482
  154    HB3  ALA  23           3HB      ALA  23 -18.779 -24.925  10.328
  155    H    ASN  24           H        ASN  24 -15.192 -25.537   8.429
  156    HA   ASN  24           HA       ASN  24 -12.929 -24.714  10.044
  157    HB2  ASN  24           1HB      ASN  24 -13.156 -26.297   7.442
  158    HB3  ASN  24           2HB      ASN  24 -11.647 -25.996   8.267
  159   HD21  ASN  24          1HD2      ASN  24 -12.115 -28.492   7.819
  160   HD22  ASN  24          2HD2      ASN  24 -12.584 -29.333   9.303
  161    H    LEU  25           H        LEU  25 -14.101 -23.765   6.758
  162    HA   LEU  25           HA       LEU  25 -11.921 -21.931   6.336
  163    HB2  LEU  25           1HB      LEU  25 -13.275 -22.730   4.485
  164    HB3  LEU  25           2HB      LEU  25 -14.720 -21.969   5.161
  165    HG   LEU  25           HG       LEU  25 -13.724 -19.734   4.861
  166   HD11  LEU  25          1HD1      LEU  25 -11.674 -19.441   3.530
  167   HD12  LEU  25          2HD1      LEU  25 -11.374 -21.194   3.565
  168   HD13  LEU  25          3HD1      LEU  25 -11.310 -20.229   5.057
  169   HD21  LEU  25          3HD2      LEU  25 -15.054 -20.778   3.038
  170   HD22  LEU  25          1HD2      LEU  25 -13.541 -21.368   2.308
  171   HD23  LEU  25          2HD2      LEU  25 -13.843 -19.629   2.445
  172    H    ASN  26           H        ASN  26 -15.215 -21.398   7.752
  173    HA   ASN  26           HA       ASN  26 -14.966 -18.651   8.338
  174    HB2  ASN  26           1HB      ASN  26 -16.166 -20.819  10.133
  175    HB3  ASN  26           2HB      ASN  26 -16.443 -19.099  10.302
  176   HD21  ASN  26          1HD2      ASN  26 -18.425 -20.877  10.210
  177   HD22  ASN  26          2HD2      ASN  26 -19.385 -20.580   8.754
  178    H    VAL  27           H        VAL  27 -13.879 -21.416  10.372
  179    HA   VAL  27           HA       VAL  27 -12.911 -19.745  12.461
  180    HB   VAL  27           HB       VAL  27 -13.476 -22.350  12.312
  181   HG11  VAL  27          1HG1      VAL  27 -11.623 -23.795  12.726
  182   HG12  VAL  27          2HG1      VAL  27 -11.513 -23.121  11.110
  183   HG13  VAL  27          3HG1      VAL  27 -10.460 -22.493  12.403
  184   HG21  VAL  27          3HG2      VAL  27 -13.312 -20.956  14.294
  185   HG22  VAL  27          1HG2      VAL  27 -12.462 -22.488  14.573
  186   HG23  VAL  27          2HG2      VAL  27 -11.522 -21.013  14.195
  187    H    HIS  28           H        HIS  28 -11.326 -21.142   9.688
  188    HA   HIS  28           HA       HIS  28  -8.679 -20.433  10.326
  189    HB2  HIS  28           1HB      HIS  28  -9.235 -22.048   8.638
  190    HB3  HIS  28           2HB      HIS  28 -10.138 -20.874   7.690
  191    HD1  HIS  28           1HD      HIS  28  -6.484 -21.789   8.355
  192    HD2  HIS  28           2HD      HIS  28  -8.868 -19.133   6.142
  193    HE1  HIS  28           1HE      HIS  28  -4.886 -20.513   6.842
  194    H    LEU  29           H        LEU  29 -11.177 -18.554   8.575
  195    HA   LEU  29           HA       LEU  29  -9.553 -16.396   7.704
  196    HB2  LEU  29           1HB      LEU  29 -12.491 -16.539   8.460
  197    HB3  LEU  29           2HB      LEU  29 -11.782 -15.131   7.687
  198    HG   LEU  29           HG       LEU  29 -11.622 -17.881   6.427
  199   HD11  LEU  29          1HD1      LEU  29 -13.748 -15.731   5.995
  200   HD12  LEU  29          2HD1      LEU  29 -14.009 -17.310   6.767
  201   HD13  LEU  29          3HD1      LEU  29 -13.580 -17.229   5.053
  202   HD21  LEU  29          3HD2      LEU  29 -11.397 -15.081   5.274
  203   HD22  LEU  29          1HD2      LEU  29 -11.421 -16.594   4.348
  204   HD23  LEU  29          2HD2      LEU  29 -10.082 -16.276   5.453
  205    H    ARG  30           H        ARG  30 -10.716 -17.061  10.891
  206    HA   ARG  30           HA       ARG  30 -10.738 -14.508  12.091
  207    HB2  ARG  30           1HB      ARG  30  -9.846 -17.161  13.307
  208    HB3  ARG  30           2HB      ARG  30 -10.237 -15.712  14.224
  209    HG2  ARG  30           1HG      ARG  30 -12.568 -15.757  13.361
  210    HG3  ARG  30           2HG      ARG  30 -12.189 -17.206  12.424
  211    HD2  ARG  30           1HD      ARG  30 -13.314 -17.917  14.407
  212    HD3  ARG  30           2HD      ARG  30 -11.615 -18.407  14.533
  213    HE   ARG  30           HE       ARG  30 -12.082 -15.826  15.771
  214   HH11  ARG  30          2HH1      ARG  30 -12.532 -19.239  16.435
  215   HH12  ARG  30          1HH1      ARG  30 -12.494 -18.999  18.160
  216   HH21  ARG  30          2HH2      ARG  30 -12.034 -15.596  17.978
  217   HH22  ARG  30          1HH2      ARG  30 -12.224 -16.988  19.003
  218    H    LYS  31           H        LYS  31  -7.913 -16.476  11.269
  219    HA   LYS  31           HA       LYS  31  -6.030 -14.831  12.769
  220    HB2  LYS  31           1HB      LYS  31  -4.375 -16.239  12.015
  221    HB3  LYS  31           2HB      LYS  31  -5.803 -17.268  12.103
  222    HG2  LYS  31           1HG      LYS  31  -6.038 -16.954   9.565
  223    HG3  LYS  31           2HG      LYS  31  -4.515 -16.074   9.603
  224    HD2  LYS  31           1HD      LYS  31  -4.038 -18.329   8.943
  225    HD3  LYS  31           2HD      LYS  31  -3.377 -18.062  10.561
  226    HE2  LYS  31           1HE      LYS  31  -5.490 -19.160  11.493
  227    HE3  LYS  31           2HE      LYS  31  -5.947 -19.549   9.834
  228    HZ1  LYS  31           3HZ      LYS  31  -4.755 -21.395  10.911
  229    HZ2  LYS  31           1HZ      LYS  31  -3.465 -20.455  11.221
  230    HZ3  LYS  31           2HZ      LYS  31  -3.833 -20.832   9.680
  231    H    HIS  32           H        HIS  32  -7.471 -14.483   9.708
  232    HA   HIS  32           HA       HIS  32  -5.485 -12.568   8.675
  233    HB2  HIS  32           1HB      HIS  32  -8.055 -13.580   7.427
  234    HB3  HIS  32           2HB      HIS  32  -6.828 -12.581   6.658
  235    HD1  HIS  32           1HD      HIS  32  -4.183 -14.027   7.041
  236    HD2  HIS  32           2HD      HIS  32  -7.866 -15.932   6.377
  237    HE1  HIS  32           1HE      HIS  32  -3.615 -16.286   6.044
  238    H    THR  33           H        THR  33  -7.078 -11.898  11.106
  239    HA   THR  33           HA       THR  33  -8.536  -9.459  10.185
  240    HB   THR  33           HB       THR  33  -9.539  -9.374  12.394
  241    HG1  THR  33           1HG      THR  33  -8.591 -11.962  12.942
  242   HG21  THR  33          3HG2      THR  33 -11.024 -11.302  12.202
  243   HG22  THR  33          1HG2      THR  33  -9.898 -12.087  11.065
  244   HG23  THR  33          2HG2      THR  33 -10.703 -10.571  10.616
  245    H    GLY  34           H        GLY  34  -8.337  -7.540  11.576
  246    HA2  GLY  34           1HA      GLY  34  -7.022  -6.254  13.195
  247    HA3  GLY  34           2HA      GLY  34  -5.602  -7.171  12.711
  248    H    GLU  35           H        GLU  35  -4.551  -5.093  12.346
  249    HA   GLU  35           HA       GLU  35  -5.597  -3.197  10.436
  250    HB2  GLU  35           1HB      GLU  35  -4.105  -2.589  12.341
  251    HB3  GLU  35           2HB      GLU  35  -2.783  -3.457  11.557
  252    HG2  GLU  35           1HG      GLU  35  -2.563  -1.069  11.178
  253    HG3  GLU  35           2HG      GLU  35  -2.859  -1.880   9.648
  254    H    LYS  36           H        LYS  36  -5.183  -2.744   8.418
  255    HA   LYS  36           HA       LYS  36  -3.872  -4.877   6.774
  256    HB2  LYS  36           1HB      LYS  36  -6.381  -3.257   6.448
  257    HB3  LYS  36           2HB      LYS  36  -5.509  -3.789   5.009
  258    HG2  LYS  36           1HG      LYS  36  -6.081  -5.822   7.186
  259    HG3  LYS  36           2HG      LYS  36  -7.384  -5.309   6.122
  260    HD2  LYS  36           1HD      LYS  36  -5.966  -5.877   4.130
  261    HD3  LYS  36           2HD      LYS  36  -4.679  -6.434   5.217
  262    HE2  LYS  36           1HE      LYS  36  -6.218  -8.190   6.091
  263    HE3  LYS  36           2HE      LYS  36  -7.478  -7.613   4.992
  264    HZ1  LYS  36           3HZ      LYS  36  -4.862  -8.758   4.160
  265    HZ2  LYS  36           1HZ      LYS  36  -5.942  -8.131   3.119
  266    HZ3  LYS  36           2HZ      LYS  36  -6.312  -9.480   3.999
  267    H    PHE  37           H        PHE  37  -1.974  -4.309   6.401
  268    HA   PHE  37           HA       PHE  37  -1.269  -1.591   5.442
  269    HB2  PHE  37           1HB      PHE  37   0.607  -3.945   5.737
  270    HB3  PHE  37           2HB      PHE  37   0.969  -2.213   5.712
  271    HD1  PHE  37           2HD      PHE  37   0.510  -0.785   7.686
  272    HD2  PHE  37           1HD      PHE  37  -0.097  -5.050   7.750
  273    HE1  PHE  37           2HE      PHE  37   0.358  -0.727  10.144
  274    HE2  PHE  37           1HE      PHE  37  -0.229  -4.999  10.206
  275    HZ   PHE  37           HZ       PHE  37  -0.133  -2.824  11.426
  276    H    ALA  38           H        ALA  38  -1.573  -1.165   3.353
  277    HA   ALA  38           HA       ALA  38  -1.592  -3.290   1.312
  278    HB1  ALA  38           1HB      ALA  38  -2.456  -1.548  -0.163
  279    HB2  ALA  38           2HB      ALA  38  -3.380  -1.571   1.354
  280    HB3  ALA  38           3HB      ALA  38  -2.155  -0.311   1.073
  281    H    CYS  39           H        CYS  39  -0.236  -3.469  -0.483
  282    HA   CYS  39           HA       CYS  39   2.435  -2.393  -0.294
  283    HB2  CYS  39           1HB      CYS  39   1.887  -4.566  -1.138
  284    HB3  CYS  39           2HB      CYS  39   0.874  -3.894  -2.410
  285    H    ASP  40           H        ASP  40   3.430  -0.861  -1.438
  286    HA   ASP  40           HA       ASP  40   1.787   1.330  -2.530
  287    HB2  ASP  40           1HB      ASP  40   3.705   1.679  -0.930
  288    HB3  ASP  40           2HB      ASP  40   4.802   1.146  -2.203
  289    H    TYR  41           H        TYR  41   3.042  -1.504  -3.771
  290    HA   TYR  41           HA       TYR  41   3.625  -0.353  -6.486
  291    HB2  TYR  41           1HB      TYR  41   4.812  -2.787  -5.113
  292    HB3  TYR  41           2HB      TYR  41   5.156  -2.240  -6.736
  293    HD1  TYR  41           2HD      TYR  41   5.566  -1.625  -3.143
  294    HD2  TYR  41           1HD      TYR  41   6.602  -0.249  -7.088
  295    HE1  TYR  41           2HE      TYR  41   7.390  -0.208  -2.168
  296    HE2  TYR  41           1HE      TYR  41   8.435   1.153  -6.124
  297    HH   TYR  41           HH       TYR  41   9.094   1.264  -2.602
  298    H    CYS  42           H        CYS  42   1.857  -2.835  -4.733
  299    HA   CYS  42           HA       CYS  42   0.259  -3.282  -7.181
  300    HB2  CYS  42           1HB      CYS  42   0.188  -5.698  -6.946
  301    HB3  CYS  42           2HB      CYS  42   1.838  -5.134  -7.235
  302    H    SER  43           H        SER  43  -1.613  -4.967  -6.465
  303    HA   SER  43           HA       SER  43  -3.243  -3.532  -4.521
  304    HB2  SER  43           1HB      SER  43  -4.998  -5.130  -5.253
  305    HB3  SER  43           2HB      SER  43  -4.238  -4.250  -6.586
  306    HG   SER  43           HG       SER  43  -4.446  -6.505  -7.025
  307    H    PHE  44           H        PHE  44  -0.841  -5.657  -3.861
  308    HA   PHE  44           HA       PHE  44  -2.000  -7.630  -2.217
  309    HB2  PHE  44           1HB      PHE  44   0.258  -7.746  -2.942
  310    HB3  PHE  44           2HB      PHE  44   0.698  -6.272  -2.102
  311    HD1  PHE  44           2HD      PHE  44  -0.505  -9.780  -1.521
  312    HD2  PHE  44           1HD      PHE  44   1.604  -6.386   0.093
  313    HE1  PHE  44           2HE      PHE  44   0.202 -11.141   0.439
  314    HE2  PHE  44           1HE      PHE  44   2.347  -7.768   2.033
  315    HZ   PHE  44           HZ       PHE  44   1.622 -10.128   2.214
  316    H    THR  45           H        THR  45  -2.307  -7.795  -0.032
  317    HA   THR  45           HA       THR  45  -1.865  -5.517   1.737
  318    HB   THR  45           HB       THR  45  -3.974  -5.740   2.878
  319    HG1  THR  45           1HG      THR  45  -4.868  -7.275   0.681
  320   HG21  THR  45          3HG2      THR  45  -5.409  -4.580   1.269
  321   HG22  THR  45          1HG2      THR  45  -4.299  -5.046  -0.054
  322   HG23  THR  45          2HG2      THR  45  -3.732  -3.998   1.268
  323    H    CYS  46           H        CYS  46  -1.693  -5.999   3.873
  324    HA   CYS  46           HA       CYS  46  -1.369  -8.887   4.610
  325    HB2  CYS  46           1HB      CYS  46   0.757  -7.811   3.678
  326    HB3  CYS  46           2HB      CYS  46   0.747  -6.757   5.100
  327    HG   CYS  46           HG       CYS  46   2.338  -8.416   5.904
  328    H    LEU  47           H        LEU  47  -1.330  -9.355   6.819
  329    HA   LEU  47           HA       LEU  47  -2.529  -7.348   8.633
  330    HB2  LEU  47           1HB      LEU  47  -2.154 -10.351   8.918
  331    HB3  LEU  47           2HB      LEU  47  -2.804  -9.304  10.160
  332    HG   LEU  47           HG       LEU  47  -4.637 -10.346   9.224
  333   HD11  LEU  47          1HD1      LEU  47  -4.917  -7.896   9.595
  334   HD12  LEU  47          2HD1      LEU  47  -6.027  -8.557   8.385
  335   HD13  LEU  47          3HD1      LEU  47  -4.608  -7.623   7.871
  336   HD21  LEU  47          3HD2      LEU  47  -3.625 -11.105   7.082
  337   HD22  LEU  47          1HD2      LEU  47  -3.885  -9.478   6.412
  338   HD23  LEU  47          2HD2      LEU  47  -5.267 -10.462   6.908
  339    H    SER  48           H        SER  48   0.530  -8.060   7.754
  340    HA   SER  48           HA       SER  48   1.625  -6.935  10.283
  341    HB2  SER  48           1HB      SER  48   2.153  -9.279  10.469
  342    HB3  SER  48           2HB      SER  48   2.738  -9.338   8.793
  343    HG   SER  48           HG       SER  48   4.380  -9.089  10.517
  344    H    LYS  49           H        LYS  49   2.573  -5.157   9.905
  345    HA   LYS  49           HA       LYS  49   3.372  -4.128   7.382
  346    HB2  LYS  49           1HB      LYS  49   4.779  -2.567   8.916
  347    HB3  LYS  49           2HB      LYS  49   3.023  -2.449   8.855
  348    HG2  LYS  49           1HG      LYS  49   2.851  -3.677  10.990
  349    HG3  LYS  49           2HG      LYS  49   4.619  -3.853  11.043
  350    HD2  LYS  49           1HD      LYS  49   4.895  -1.432  11.202
  351    HD3  LYS  49           2HD      LYS  49   3.154  -1.174  10.939
  352    HE2  LYS  49           1HE      LYS  49   2.627  -2.380  13.013
  353    HE3  LYS  49           2HE      LYS  49   4.344  -2.700  13.294
  354    HZ1  LYS  49           3HZ      LYS  49   3.586  -0.772  14.564
  355    HZ2  LYS  49           1HZ      LYS  49   3.108   0.005  13.212
  356    HZ3  LYS  49           2HZ      LYS  49   4.695  -0.291  13.470
  357    H    GLY  50           H        GLY  50   5.107  -6.067   9.758
  358    HA2  GLY  50           1HA      GLY  50   7.765  -5.729   8.643
  359    HA3  GLY  50           2HA      GLY  50   7.227  -6.951   9.792
  360    H    HIS  51           H        HIS  51   5.090  -8.046   8.034
  361    HA   HIS  51           HA       HIS  51   6.693  -9.611   6.134
  362    HB2  HIS  51           1HB      HIS  51   4.794 -10.585   7.411
  363    HB3  HIS  51           2HB      HIS  51   3.702  -9.500   6.543
  364    HD1  HIS  51           1HD      HIS  51   2.468 -10.915   4.757
  365    HD2  HIS  51           2HD      HIS  51   6.533 -11.891   5.220
  366    HE1  HIS  51           1HE      HIS  51   2.980 -12.697   3.000
  367    H    LEU  52           H        LEU  52   4.384  -6.868   5.916
  368    HA   LEU  52           HA       LEU  52   4.293  -6.707   3.079
  369    HB2  LEU  52           1HB      LEU  52   2.781  -5.443   4.513
  370    HB3  LEU  52           2HB      LEU  52   4.131  -4.554   5.216
  371    HG   LEU  52           HG       LEU  52   4.617  -3.496   3.028
  372   HD11  LEU  52          1HD1      LEU  52   3.716  -5.235   1.498
  373   HD12  LEU  52          2HD1      LEU  52   2.974  -3.673   1.214
  374   HD13  LEU  52          3HD1      LEU  52   2.071  -4.914   2.106
  375   HD21  LEU  52          3HD2      LEU  52   1.712  -3.185   3.781
  376   HD22  LEU  52          1HD2      LEU  52   2.773  -1.971   3.049
  377   HD23  LEU  52          2HD2      LEU  52   3.051  -2.488   4.725
  378    H    LYS  53           H        LYS  53   6.730  -5.351   5.372
  379    HA   LYS  53           HA       LYS  53   8.462  -4.147   3.461
  380    HB2  LYS  53           1HB      LYS  53   8.825  -3.816   5.790
  381    HB3  LYS  53           2HB      LYS  53   8.902  -5.543   6.122
  382    HG2  LYS  53           1HG      LYS  53  11.053  -5.745   4.950
  383    HG3  LYS  53           2HG      LYS  53  10.958  -4.054   4.452
  384    HD2  LYS  53           1HD      LYS  53  12.414  -4.116   6.333
  385    HD3  LYS  53           2HD      LYS  53  10.876  -3.458   6.938
  386    HE2  LYS  53           1HE      LYS  53  10.270  -5.701   7.820
  387    HE3  LYS  53           2HE      LYS  53  11.774  -6.369   7.177
  388    HZ1  LYS  53           3HZ      LYS  53  12.999  -4.883   8.672
  389    HZ2  LYS  53           1HZ      LYS  53  11.986  -5.824   9.535
  390    HZ3  LYS  53           2HZ      LYS  53  11.612  -4.259   9.267
  391    H    VAL  54           H        VAL  54   8.457  -7.565   4.603
  392    HA   VAL  54           HA       VAL  54  10.543  -8.408   2.864
  393    HB   VAL  54           HB       VAL  54   8.273 -10.013   4.112
  394   HG11  VAL  54          1HG1      VAL  54  10.755 -10.995   2.638
  395   HG12  VAL  54          2HG1      VAL  54   9.749 -12.006   3.704
  396   HG13  VAL  54          3HG1      VAL  54   9.055 -11.329   2.234
  397   HG21  VAL  54          3HG2      VAL  54  10.019 -10.716   5.682
  398   HG22  VAL  54          1HG2      VAL  54  11.220  -9.721   4.822
  399   HG23  VAL  54          2HG2      VAL  54   9.873  -8.955   5.690
  400    H    HIS  55           H        HIS  55   6.998  -8.328   2.306
  401    HA   HIS  55           HA       HIS  55   6.977  -9.522  -0.247
  402    HB2  HIS  55           1HB      HIS  55   4.903  -9.097   0.888
  403    HB3  HIS  55           2HB      HIS  55   5.240  -7.377   1.021
  404    HD1  HIS  55           1HD      HIS  55   4.134  -9.927  -1.626
  405    HD2  HIS  55           2HD      HIS  55   4.587  -5.789  -1.013
  406    HE1  HIS  55           1HE      HIS  55   3.086  -8.803  -3.645
  407    H    ILE  56           H        ILE  56   7.517  -6.041   0.554
  408    HA   ILE  56           HA       ILE  56   7.918  -5.316  -2.232
  409    HB   ILE  56           HB       ILE  56   8.651  -3.899   0.341
  410   HG12  ILE  56          1HG1      ILE  56   6.330  -3.339  -1.559
  411   HG13  ILE  56          2HG1      ILE  56   6.167  -4.345  -0.129
  412   HG21  ILE  56          1HG2      ILE  56   8.910  -1.875  -1.076
  413   HG22  ILE  56          2HG2      ILE  56  10.038  -3.124  -1.590
  414   HG23  ILE  56          3HG2      ILE  56   8.559  -2.839  -2.528
  415   HD11  ILE  56          3HD1      ILE  56   6.840  -2.474   1.325
  416   HD12  ILE  56          1HD1      ILE  56   6.902  -1.404  -0.099
  417   HD13  ILE  56          2HD1      ILE  56   5.369  -2.149   0.388
  418    H    GLU  57           H        GLU  57  10.157  -6.191   0.392
  419    HA   GLU  57           HA       GLU  57  12.601  -5.744  -1.056
  420    HB2  GLU  57           1HB      GLU  57  11.866  -7.481   1.322
  421    HB3  GLU  57           2HB      GLU  57  13.521  -7.276   0.784
  422    HG2  GLU  57           1HG      GLU  57  11.854  -4.825   1.434
  423    HG3  GLU  57           2HG      GLU  57  12.551  -5.822   2.698
  424    H    ARG  58           H        ARG  58  10.345  -8.285  -1.297
  425    HA   ARG  58           HA       ARG  58  12.311  -9.957  -2.854
  426    HB2  ARG  58           1HB      ARG  58  11.239 -11.892  -2.316
  427    HB3  ARG  58           2HB      ARG  58  11.109 -10.938  -0.853
  428    HG2  ARG  58           1HG      ARG  58   8.755 -10.317  -1.563
  429    HG3  ARG  58           2HG      ARG  58   8.907 -11.511  -2.859
  430    HD2  ARG  58           1HD      ARG  58   9.222 -12.098   0.108
  431    HD3  ARG  58           2HD      ARG  58   7.734 -12.351  -0.822
  432    HE   ARG  58           HE       ARG  58   9.771 -13.742  -2.184
  433   HH11  ARG  58          2HH1      ARG  58   8.165 -14.022   0.919
  434   HH12  ARG  58          1HH1      ARG  58   8.468 -15.734   1.020
  435   HH21  ARG  58          2HH2      ARG  58  10.124 -15.927  -1.987
  436   HH22  ARG  58          1HH2      ARG  58   9.541 -16.778  -0.588
  437    H    VAL  59           H        VAL  59   9.029  -8.585  -3.164
  438    HA   VAL  59           HA       VAL  59   8.879  -9.677  -5.863
  439    HB   VAL  59           HB       VAL  59   6.829  -7.944  -4.432
  440   HG11  VAL  59          1HG1      VAL  59   6.588  -9.724  -6.895
  441   HG12  VAL  59          2HG1      VAL  59   5.250  -8.879  -6.084
  442   HG13  VAL  59          3HG1      VAL  59   6.514  -7.948  -6.883
  443   HG21  VAL  59          3HG2      VAL  59   7.065 -10.976  -4.687
  444   HG22  VAL  59          1HG2      VAL  59   7.071 -10.017  -3.188
  445   HG23  VAL  59          2HG2      VAL  59   5.603 -10.127  -4.145
  446    H    HIS  60           H        HIS  60   8.952  -6.419  -4.376
  447    HA   HIS  60           HA       HIS  60   9.219  -5.157  -7.039
  448    HB2  HIS  60           1HB      HIS  60   8.476  -3.896  -4.421
  449    HB3  HIS  60           2HB      HIS  60   8.342  -3.178  -6.026
  450    HD1  HIS  60           1HD      HIS  60   6.544  -4.740  -7.712
  451    HD2  HIS  60           2HD      HIS  60   6.328  -4.992  -3.525
  452    HE1  HIS  60           1HE      HIS  60   4.242  -5.686  -7.193
  453    H    LYS  61           H        LYS  61  11.465  -6.390  -5.439
  454    HA   LYS  61           HA       LYS  61  13.277  -4.229  -4.747
  455    HB2  LYS  61           1HB      LYS  61  13.194  -6.421  -3.682
  456    HB3  LYS  61           2HB      LYS  61  13.755  -7.215  -5.137
  457    HG2  LYS  61           1HG      LYS  61  15.338  -5.074  -3.629
  458    HG3  LYS  61           2HG      LYS  61  15.412  -6.777  -3.218
  459    HD2  LYS  61           1HD      LYS  61  16.382  -5.529  -5.804
  460    HD3  LYS  61           2HD      LYS  61  17.344  -6.206  -4.496
  461    HE2  LYS  61           1HE      LYS  61  16.244  -8.445  -4.933
  462    HE3  LYS  61           2HE      LYS  61  15.464  -7.727  -6.353
  463    HZ1  LYS  61           3HZ      LYS  61  18.403  -7.931  -5.946
  464    HZ2  LYS  61           1HZ      LYS  61  17.683  -7.275  -7.261
  465    HZ3  LYS  61           2HZ      LYS  61  17.523  -8.867  -6.949
  466    H    LYS  62           H        LYS  62  14.680  -3.187  -5.943
  467    HA   LYS  62           HA       LYS  62  15.448  -2.130  -7.765
  468    HB2  LYS  62           1HB      LYS  62  17.042  -4.154  -7.440
  469    HB3  LYS  62           2HB      LYS  62  16.297  -4.808  -8.893
  470    HG2  LYS  62           1HG      LYS  62  18.269  -3.722  -9.604
  471    HG3  LYS  62           2HG      LYS  62  16.987  -2.595 -10.049
  472    HD2  LYS  62           1HD      LYS  62  17.478  -1.255  -7.989
  473    HD3  LYS  62           2HD      LYS  62  18.748  -2.419  -7.558
  474    HE2  LYS  62           1HE      LYS  62  19.896  -1.903  -9.728
  475    HE3  LYS  62           2HE      LYS  62  18.653  -0.696 -10.074
  476    HZ1  LYS  62           3HZ      LYS  62  20.560   0.374  -9.110
  477    HZ2  LYS  62           1HZ      LYS  62  20.565  -0.616  -7.797
  478    HZ3  LYS  62           2HZ      LYS  62  19.359   0.473  -8.026
  479    H    ILE  63           H        ILE  63  12.915  -2.199  -7.915
  480    HA   ILE  63           HA       ILE  63  11.838  -2.850 -10.546
  481    HB   ILE  63           HB       ILE  63  10.535  -2.588  -8.422
  482   HG12  ILE  63          1HG1      ILE  63   9.554  -0.911 -10.757
  483   HG13  ILE  63          2HG1      ILE  63   9.464  -2.671 -10.618
  484   HG21  ILE  63          1HG2      ILE  63  10.783   0.410  -8.892
  485   HG22  ILE  63          2HG2      ILE  63   9.933  -0.419  -7.570
  486   HG23  ILE  63          3HG2      ILE  63  11.689  -0.477  -7.647
  487   HD11  ILE  63          3HD1      ILE  63   7.322  -1.745 -10.047
  488   HD12  ILE  63          1HD1      ILE  63   8.048  -2.353  -8.545
  489   HD13  ILE  63          2HD1      ILE  63   8.041  -0.604  -8.904
  490    H    LYS  64           H        LYS  64  11.172  -1.256 -12.112
  491    HA   LYS  64           HA       LYS  64  13.124   0.907 -12.653
  492    HB2  LYS  64           1HB      LYS  64  10.714  -0.076 -14.237
  493    HB3  LYS  64           2HB      LYS  64  11.859   1.162 -14.769
  494    HG2  LYS  64           1HG      LYS  64  13.720  -0.523 -14.546
  495    HG3  LYS  64           2HG      LYS  64  12.514  -1.769 -14.223
  496    HD2  LYS  64           1HD      LYS  64  12.676  -0.091 -16.766
  497    HD3  LYS  64           2HD      LYS  64  13.294  -1.738 -16.575
  498    HE2  LYS  64           1HE      LYS  64  10.980  -2.519 -16.010
  499    HE3  LYS  64           2HE      LYS  64  10.375  -0.886 -16.318
  500    HZ1  LYS  64           3HZ      LYS  64  11.722  -2.617 -18.324
  501    HZ2  LYS  64           1HZ      LYS  64  11.179  -1.104 -18.617
  502    HZ3  LYS  64           2HZ      LYS  64  10.125  -2.301 -18.272
  503    H    GLN  65           H        GLN  65  12.385   3.027 -13.295
  504    HA   GLN  65           HA       GLN  65  10.164   4.127 -11.595
  505    HB2  GLN  65           1HB      GLN  65  12.983   5.244 -12.028
  506    HB3  GLN  65           2HB      GLN  65  11.660   6.050 -11.192
  507    HG2  GLN  65           1HG      GLN  65  12.977   5.252  -9.490
  508    HG3  GLN  65           2HG      GLN  65  11.569   4.185  -9.554
  509   HE21  GLN  65          1HE2      GLN  65  12.781   2.599  -8.350
  510   HE22  GLN  65          2HE2      GLN  65  13.834   1.536  -9.285
  511    H    HIS  66           H        HIS  66   9.668   6.457 -12.181
  512    HA   HIS  66           HA       HIS  66  10.369   7.227 -14.922
  513    HB2  HIS  66           1HB      HIS  66   8.188   7.883 -15.580
  514    HB3  HIS  66           2HB      HIS  66   8.123   6.191 -15.109
  515    HD1  HIS  66           1HD      HIS  66   6.665   5.647 -12.857
  516    HD2  HIS  66           2HD      HIS  66   6.790   9.657 -14.127
  517    HE1  HIS  66           1HE      HIS  66   4.841   6.865 -11.557
  518    H    CYS  67           H        CYS  67  10.614   9.372 -15.271
  519    HA   CYS  67           HA       CYS  67  10.904  11.209 -13.016
  520    HB2  CYS  67           1HB      CYS  67  12.456  11.151 -14.907
  521    HB3  CYS  67           2HB      CYS  67  11.128  11.442 -16.037
  522    H    ARG  68           H        ARG  68   9.363  12.557 -12.264
  523    HA   ARG  68           HA       ARG  68   6.703  12.557 -13.503
  524    HB2  ARG  68           1HB      ARG  68   5.868  13.643 -11.630
  525    HB3  ARG  68           2HB      ARG  68   6.992  12.442 -11.043
  526    HG2  ARG  68           1HG      ARG  68   7.477  15.457 -11.235
  527    HG3  ARG  68           2HG      ARG  68   7.073  14.561  -9.780
  528    HD2  ARG  68           1HD      ARG  68   9.657  14.345 -11.366
  529    HD3  ARG  68           2HD      ARG  68   9.409  15.137  -9.813
  530    HE   ARG  68           HE       ARG  68   8.774  12.234  -9.983
  531   HH11  ARG  68          2HH1      ARG  68  10.919  14.666  -8.669
  532   HH12  ARG  68          1HH1      ARG  68  11.660  13.538  -7.568
  533   HH21  ARG  68          2HH2      ARG  68   9.804  10.842  -8.608
  534   HH22  ARG  68          1HH2      ARG  68  11.043  11.434  -7.544
  535    H    PHE  69           H        PHE  69   9.435  14.460 -14.040
  536    HA   PHE  69           HA       PHE  69   7.923  16.908 -14.713
  537    HB2  PHE  69           1HB      PHE  69  10.876  16.301 -14.909
  538    HB3  PHE  69           2HB      PHE  69  10.131  17.872 -15.094
  539    HD1  PHE  69           2HD      PHE  69   8.601  18.620 -12.981
  540    HD2  PHE  69           1HD      PHE  69  11.852  15.792 -12.843
  541    HE1  PHE  69           2HE      PHE  69   8.907  19.083 -10.560
  542    HE2  PHE  69           1HE      PHE  69  12.184  16.288 -10.434
  543    HZ   PHE  69           HZ       PHE  69  10.706  17.932  -9.286
  544    H    CYS  70           H        CYS  70   9.637  14.306 -16.433
  545    HA   CYS  70           HA       CYS  70   8.588  15.351 -19.023
  546    HB2  CYS  70           1HB      CYS  70  10.639  14.843 -20.136
  547    HB3  CYS  70           2HB      CYS  70  10.901  16.001 -18.834
  548    H    LYS  71           H        LYS  71   8.257  12.824 -16.996
  549    HA   LYS  71           HA       LYS  71   7.483  10.713 -17.116
  550    HB2  LYS  71           1HB      LYS  71   6.413  11.421 -19.852
  551    HB3  LYS  71           2HB      LYS  71   5.832  10.163 -18.768
  552    HG2  LYS  71           1HG      LYS  71   5.647  13.168 -18.297
  553    HG3  LYS  71           2HG      LYS  71   4.342  12.077 -18.753
  554    HD2  LYS  71           1HD      LYS  71   4.577  10.877 -16.572
  555    HD3  LYS  71           2HD      LYS  71   5.895  11.965 -16.126
  556    HE2  LYS  71           1HE      LYS  71   3.956  12.763 -15.018
  557    HE3  LYS  71           2HE      LYS  71   4.360  13.915 -16.292
  558    HZ1  LYS  71           3HZ      LYS  71   2.583  12.926 -17.648
  559    HZ2  LYS  71           1HZ      LYS  71   1.974  13.418 -16.220
  560    HZ3  LYS  71           2HZ      LYS  71   2.239  11.831 -16.482
  561    H    LYS  72           H        LYS  72  10.207  11.270 -18.324
  562    HA   LYS  72           HA       LYS  72  10.763   9.015 -20.055
  563    HB2  LYS  72           1HB      LYS  72  12.157  11.156 -19.754
  564    HB3  LYS  72           2HB      LYS  72  12.685  10.504 -18.216
  565    HG2  LYS  72           1HG      LYS  72  13.707   8.574 -19.304
  566    HG3  LYS  72           2HG      LYS  72  13.008   9.022 -20.871
  567    HD2  LYS  72           1HD      LYS  72  14.394  11.010 -21.008
  568    HD3  LYS  72           2HD      LYS  72  14.977  10.785 -19.352
  569    HE2  LYS  72           1HE      LYS  72  15.902   8.530 -20.070
  570    HE3  LYS  72           2HE      LYS  72  15.486   8.952 -21.739
  571    HZ1  LYS  72           3HZ      LYS  72  17.792   9.515 -21.233
  572    HZ2  LYS  72           1HZ      LYS  72  17.342  10.451 -19.971
  573    HZ3  LYS  72           2HZ      LYS  72  16.967  10.900 -21.507
  574    H    LYS  73           H        LYS  73  11.268   6.919 -19.529
  575    HA   LYS  73           HA       LYS  73  11.006   6.077 -16.696
  576    HB2  LYS  73           1HB      LYS  73  11.030   4.540 -19.298
  577    HB3  LYS  73           2HB      LYS  73  11.132   3.743 -17.718
  578    HG2  LYS  73           1HG      LYS  73   9.045   4.745 -16.975
  579    HG3  LYS  73           2HG      LYS  73   8.895   5.668 -18.468
  580    HD2  LYS  73           1HD      LYS  73   8.851   2.622 -18.261
  581    HD3  LYS  73           2HD      LYS  73   7.427   3.668 -18.396
  582    HE2  LYS  73           1HE      LYS  73   8.305   4.534 -20.581
  583    HE3  LYS  73           2HE      LYS  73   9.649   3.391 -20.468
  584    HZ1  LYS  73           3HZ      LYS  73   7.843   2.496 -21.820
  585    HZ2  LYS  73           1HZ      LYS  73   6.776   2.636 -20.594
  586    HZ3  LYS  73           2HZ      LYS  73   8.015   1.575 -20.484
  587    H    TYR  74           H        TYR  74  12.475   4.997 -15.522
  588    HA   TYR  74           HA       TYR  74  15.316   5.068 -16.460
  589    HB2  TYR  74           1HB      TYR  74  14.043   6.381 -14.070
  590    HB3  TYR  74           2HB      TYR  74  15.654   5.702 -13.894
  591    HD1  TYR  74           1HD      TYR  74  13.655   8.176 -15.897
  592    HD2  TYR  74           2HD      TYR  74  17.567   6.697 -14.846
  593    HE1  TYR  74           1HE      TYR  74  14.697   9.928 -17.325
  594    HE2  TYR  74           2HE      TYR  74  18.615   8.438 -16.287
  595    HH   TYR  74           HH       TYR  74  18.274  10.084 -17.778
  596    H    SER  75           H        SER  75  16.560   3.395 -16.005
  597    HA   SER  75           HA       SER  75  15.335   0.993 -14.854
  598    HB2  SER  75           1HB      SER  75  18.076   1.400 -16.092
  599    HB3  SER  75           2HB      SER  75  17.314  -0.154 -15.702
  600    HG   SER  75           HG       SER  75  17.038   0.429 -17.915
  601    H    ASP  76           H        ASP  76  17.139   3.504 -13.519
  602    HA   ASP  76           HA       ASP  76  17.556   1.961 -11.054
  603    HB2  ASP  76           1HB      ASP  76  19.757   2.061 -12.476
  604    HB3  ASP  76           2HB      ASP  76  19.799   3.762 -12.041
  605    H    VAL  77           H        VAL  77  16.982   3.170  -9.292
  606    HA   VAL  77           HA       VAL  77  15.840   5.786  -9.578
  607    HB   VAL  77           HB       VAL  77  15.278   4.142  -7.780
  608   HG11  VAL  77          1HG1      VAL  77  16.550   4.020  -5.739
  609   HG12  VAL  77          2HG1      VAL  77  17.607   3.530  -7.071
  610   HG13  VAL  77          3HG1      VAL  77  17.769   5.150  -6.347
  611   HG21  VAL  77          3HG2      VAL  77  16.051   6.915  -6.796
  612   HG22  VAL  77          1HG2      VAL  77  14.570   6.503  -7.688
  613   HG23  VAL  77          2HG2      VAL  77  14.850   5.826  -6.076
  614    H    LYS  78           H        LYS  78  19.145   4.701  -8.737
  615    HA   LYS  78           HA       LYS  78  20.109   7.287  -7.869
  616    HB2  LYS  78           1HB      LYS  78  21.629   4.962  -9.130
  617    HB3  LYS  78           2HB      LYS  78  22.360   6.326  -8.292
  618    HG2  LYS  78           1HG      LYS  78  20.539   4.230  -7.028
  619    HG3  LYS  78           2HG      LYS  78  22.293   4.330  -6.888
  620    HD2  LYS  78           1HD      LYS  78  22.036   6.575  -5.754
  621    HD3  LYS  78           2HD      LYS  78  20.281   6.373  -5.843
  622    HE2  LYS  78           1HE      LYS  78  20.900   5.740  -3.651
  623    HE3  LYS  78           2HE      LYS  78  20.470   4.262  -4.512
  624    HZ1  LYS  78           3HZ      LYS  78  22.520   4.009  -3.215
  625    HZ2  LYS  78           1HZ      LYS  78  23.250   5.216  -4.031
  626    HZ3  LYS  78           2HZ      LYS  78  22.860   3.825  -4.797
  627    H    ASN  79           H        ASN  79  19.808   5.882 -11.105
  628    HA   ASN  79           HA       ASN  79  21.194   8.114 -12.385
  629    HB2  ASN  79           1HB      ASN  79  19.439   5.868 -13.479
  630    HB3  ASN  79           2HB      ASN  79  20.244   7.073 -14.484
  631   HD21  ASN  79          1HD2      ASN  79  20.851   4.577 -15.129
  632   HD22  ASN  79          2HD2      ASN  79  22.455   4.159 -14.542
  633    H    LEU  80           H        LEU  80  17.803   7.400 -11.567
  634    HA   LEU  80           HA       LEU  80  16.622   9.580 -12.977
  635    HB2  LEU  80           1HB      LEU  80  15.376   7.682 -11.951
  636    HB3  LEU  80           2HB      LEU  80  15.819   8.294 -10.349
  637    HG   LEU  80           HG       LEU  80  14.526  10.340 -10.701
  638   HD11  LEU  80          1HD1      LEU  80  12.980  10.526 -12.600
  639   HD12  LEU  80          2HD1      LEU  80  13.670   9.062 -13.336
  640   HD13  LEU  80          3HD1      LEU  80  14.646  10.540 -13.169
  641   HD21  LEU  80          3HD2      LEU  80  12.308   9.300 -10.600
  642   HD22  LEU  80          1HD2      LEU  80  13.489   8.339  -9.686
  643   HD23  LEU  80          2HD2      LEU  80  12.972   7.808 -11.301
  644    H    ILE  81           H        ILE  81  18.093   9.424  -9.678
  645    HA   ILE  81           HA       ILE  81  17.468  12.085  -8.919
  646    HB   ILE  81           HB       ILE  81  20.034  10.663  -8.149
  647   HG12  ILE  81          1HG1      ILE  81  18.448   9.054  -7.667
  648   HG13  ILE  81          2HG1      ILE  81  18.832   9.803  -6.178
  649   HG21  ILE  81          1HG2      ILE  81  18.343  12.788  -6.773
  650   HG22  ILE  81          2HG2      ILE  81  19.759  11.986  -6.057
  651   HG23  ILE  81          3HG2      ILE  81  19.955  13.005  -7.486
  652   HD11  ILE  81          3HD1      ILE  81  16.715  11.144  -6.278
  653   HD12  ILE  81          1HD1      ILE  81  16.283  10.281  -7.774
  654   HD13  ILE  81          2HD1      ILE  81  16.443   9.393  -6.250
  655    H    LYS  82           H        LYS  82  20.527  10.887 -10.487
  656    HA   LYS  82           HA       LYS  82  21.674  13.386 -10.945
  657    HB2  LYS  82           1HB      LYS  82  22.742  11.151 -11.162
  658    HB3  LYS  82           2HB      LYS  82  21.828  10.841 -12.654
  659    HG2  LYS  82           1HG      LYS  82  22.911  12.701 -13.782
  660    HG3  LYS  82           2HG      LYS  82  23.600  13.265 -12.249
  661    HD2  LYS  82           1HD      LYS  82  24.679  10.761 -12.323
  662    HD3  LYS  82           2HD      LYS  82  24.518  11.049 -14.067
  663    HE2  LYS  82           1HE      LYS  82  25.696  12.969 -12.035
  664    HE3  LYS  82           2HE      LYS  82  26.690  11.834 -12.967
  665    HZ1  LYS  82           3HZ      LYS  82  25.010  13.998 -14.180
  666    HZ2  LYS  82           1HZ      LYS  82  25.962  12.956 -15.006
  667    HZ3  LYS  82           2HZ      LYS  82  26.635  14.057 -14.008
  668    H    HIS  83           H        HIS  83  19.390  11.624 -13.094
  669    HA   HIS  83           HA       HIS  83  19.306  13.505 -15.216
  670    HB2  HIS  83           1HB      HIS  83  18.287  11.363 -15.461
  671    HB3  HIS  83           2HB      HIS  83  17.270  11.581 -14.049
  672    HD1  HIS  83           1HD      HIS  83  17.550  12.974 -17.641
  673    HD2  HIS  83           2HD      HIS  83  14.920  12.674 -14.377
  674    HE1  HIS  83           1HE      HIS  83  15.316  13.826 -18.485
  675    H    ILE  84           H        ILE  84  17.331  13.494 -12.187
  676    HA   ILE  84           HA       ILE  84  15.960  15.947 -12.836
  677    HB   ILE  84           HB       ILE  84  16.448  14.459 -10.250
  678   HG12  ILE  84          1HG1      ILE  84  13.846  14.850 -11.780
  679   HG13  ILE  84          2HG1      ILE  84  14.945  13.524 -12.140
  680   HG21  ILE  84          1HG2      ILE  84  16.150  16.832  -9.634
  681   HG22  ILE  84          2HG2      ILE  84  14.726  16.953 -10.681
  682   HG23  ILE  84          3HG2      ILE  84  14.694  15.939  -9.223
  683   HD11  ILE  84          3HD1      ILE  84  14.803  12.728  -9.807
  684   HD12  ILE  84          1HD1      ILE  84  13.593  13.987  -9.466
  685   HD13  ILE  84          2HD1      ILE  84  13.239  12.718 -10.658
  686    H    ARG  85           H        ARG  85  18.900  15.336 -10.878
  687    HA   ARG  85           HA       ARG  85  19.416  18.085 -10.225
  688    HB2  ARG  85           1HB      ARG  85  21.267  15.672 -10.428
  689    HB3  ARG  85           2HB      ARG  85  21.777  17.256  -9.833
  690    HG2  ARG  85           1HG      ARG  85  20.060  17.168  -8.053
  691    HG3  ARG  85           2HG      ARG  85  19.545  15.579  -8.607
  692    HD2  ARG  85           1HD      ARG  85  20.981  15.250  -6.726
  693    HD3  ARG  85           2HD      ARG  85  21.849  14.704  -8.172
  694    HE   ARG  85           HE       ARG  85  22.484  17.454  -7.619
  695   HH11  ARG  85          2HH1      ARG  85  23.199  14.286  -6.306
  696   HH12  ARG  85          1HH1      ARG  85  24.719  14.809  -5.633
  697   HH21  ARG  85          2HH2      ARG  85  24.437  18.052  -6.745
  698   HH22  ARG  85          1HH2      ARG  85  25.392  16.888  -5.877
  699    H    ASP  86           H        ASP  86  20.179  16.361 -13.173
  700    HA   ASP  86           HA       ASP  86  21.864  18.603 -14.152
  701    HB2  ASP  86           1HB      ASP  86  21.269  15.848 -15.269
  702    HB3  ASP  86           2HB      ASP  86  22.202  17.069 -16.123
  703    H    ALA  87           H        ALA  87  18.696  17.130 -14.992
  704    HA   ALA  87           HA       ALA  87  18.387  19.114 -17.190
  705    HB1  ALA  87           1HB      ALA  87  16.769  17.568 -18.091
  706    HB2  ALA  87           2HB      ALA  87  18.255  16.684 -17.690
  707    HB3  ALA  87           3HB      ALA  87  16.828  16.569 -16.630
  708    H    HIS  88           H        HIS  88  16.966  18.373 -14.049
  709    HA   HIS  88           HA       HIS  88  14.817  20.391 -14.512
  710    HB2  HIS  88           1HB      HIS  88  14.660  17.870 -12.840
  711    HB3  HIS  88           2HB      HIS  88  13.374  19.021 -13.136
  712    HD1  HIS  88           1HD      HIS  88  13.168  19.244 -16.191
  713    HD2  HIS  88           2HD      HIS  88  14.142  15.719 -14.125
  714    HE1  HIS  88           1HE      HIS  88  12.553  17.335 -17.751
  715    H    ASP  89           H        ASP  89  17.550  20.671 -13.340
  716    HA   ASP  89           HA       ASP  89  17.748  20.705 -10.676
  717    HB2  ASP  89           1HB      ASP  89  19.564  22.237 -10.882
  718    HB3  ASP  89           2HB      ASP  89  19.560  21.100 -12.220
  719    HA   PRO  90           HA       PRO  90  15.113  23.835  -8.809
  720    HB2  PRO  90           1HB      PRO  90  17.428  23.934  -6.861
  721    HB3  PRO  90           2HB      PRO  90  15.671  23.898  -6.513
  722    HG2  PRO  90           1HG      PRO  90  17.148  21.636  -6.314
  723    HG3  PRO  90           2HG      PRO  90  15.529  21.588  -7.088
  724    HD2  PRO  90           1HD      PRO  90  18.244  21.600  -8.432
  725    HD3  PRO  90           2HD      PRO  90  16.751  20.711  -8.837
  726    H    GLN  91           H        GLN  91  15.068  26.053  -8.150
  727    HA   GLN  91           HA       GLN  91  15.380  28.251  -8.409
  728    HB2  GLN  91           1HB      GLN  91  18.330  27.667  -8.051
  729    HB3  GLN  91           2HB      GLN  91  17.535  29.211  -7.788
  730    HG2  GLN  91           1HG      GLN  91  17.018  26.676  -6.172
  731    HG3  GLN  91           2HG      GLN  91  18.049  28.009  -5.692
  732   HE21  GLN  91          1HE2      GLN  91  16.074  27.296  -3.943
  733   HE22  GLN  91          2HE2      GLN  91  14.813  28.523  -3.957
  734    H    ASP  92           H        ASP  92  15.216  26.824 -10.866
  735    HA   ASP  92           HA       ASP  92  16.819  28.122 -12.904
  736    HB2  ASP  92           1HB      ASP  92  15.749  25.964 -13.280
  737    HB3  ASP  92           2HB      ASP  92  14.155  26.668 -13.026
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1 -29.549 -30.778 -11.421
    2    H2   GLY   1           2H       GLY   1 -28.433 -30.123 -12.425
    3    H3   GLY   1           3H       GLY   1 -28.072 -30.368 -10.845
    4    HA2  GLY   1           1HA      GLY   1 -28.610 -32.493 -12.817
    5    HA3  GLY   1           2HA      GLY   1 -27.003 -32.037 -12.222
    6    H    SER   2           H        SER   2 -28.660 -34.585 -12.019
    7    HA   SER   2           HA       SER   2 -29.763 -34.963  -9.490
    8    HB2  SER   2           1HB      SER   2 -28.420 -37.064 -11.229
    9    HB3  SER   2           2HB      SER   2 -29.662 -37.342  -9.991
   10    HG   SER   2           HG       SER   2 -30.557 -37.250 -12.107
   11    H    SER   3           H        SER   3 -26.334 -35.048 -10.258
   12    HA   SER   3           HA       SER   3 -25.456 -36.501  -7.926
   13    HB2  SER   3           1HB      SER   3 -23.930 -34.509  -9.643
   14    HB3  SER   3           2HB      SER   3 -23.235 -35.714  -8.543
   15    HG   SER   3           HG       SER   3 -23.240 -36.441 -10.721
   16    H    GLY   4           H        GLY   4 -26.679 -33.289  -8.196
   17    HA2  GLY   4           1HA      GLY   4 -26.902 -31.598  -6.640
   18    HA3  GLY   4           2HA      GLY   4 -26.186 -32.654  -5.426
   19    H    SER   5           H        SER   5 -25.203 -30.674  -4.647
   20    HA   SER   5           HA       SER   5 -22.495 -30.270  -5.716
   21    HB2  SER   5           1HB      SER   5 -23.960 -28.546  -6.845
   22    HB3  SER   5           2HB      SER   5 -24.303 -27.870  -5.240
   23    HG   SER   5           HG       SER   5 -22.531 -26.837  -6.326
   24    H    SER   6           H        SER   6 -21.081 -29.196  -4.173
   25    HA   SER   6           HA       SER   6 -21.451 -30.210  -1.520
   26    HB2  SER   6           1HB      SER   6 -19.371 -28.252  -2.560
   27    HB3  SER   6           2HB      SER   6 -19.294 -29.147  -1.029
   28    HG   SER   6           HG       SER   6 -18.118 -30.190  -2.718
   29    H    GLY   7           H        GLY   7 -22.105 -29.318   0.340
   30    HA2  GLY   7           1HA      GLY   7 -23.251 -26.620   0.461
   31    HA3  GLY   7           2HA      GLY   7 -23.195 -27.814   1.754
   32    H    LYS   8           H        LYS   8 -22.734 -25.260   2.377
   33    HA   LYS   8           HA       LYS   8 -19.838 -24.859   2.831
   34    HB2  LYS   8           1HB      LYS   8 -22.197 -22.970   2.811
   35    HB3  LYS   8           2HB      LYS   8 -20.548 -22.481   3.187
   36    HG2  LYS   8           1HG      LYS   8 -19.793 -23.068   0.936
   37    HG3  LYS   8           2HG      LYS   8 -21.367 -23.750   0.539
   38    HD2  LYS   8           1HD      LYS   8 -22.409 -21.508   0.817
   39    HD3  LYS   8           2HD      LYS   8 -20.822 -20.824   1.227
   40    HE2  LYS   8           1HE      LYS   8 -19.955 -21.514  -1.001
   41    HE3  LYS   8           2HE      LYS   8 -21.534 -22.197  -1.406
   42    HZ1  LYS   8           3HZ      LYS   8 -21.279 -19.957  -2.309
   43    HZ2  LYS   8           1HZ      LYS   8 -21.021 -19.325  -0.828
   44    HZ3  LYS   8           2HZ      LYS   8 -22.481 -19.959  -1.206
   45    HA   PRO   9           HA       PRO   9 -21.579 -25.982   7.008
   46    HB2  PRO   9           1HB      PRO   9 -19.599 -27.749   7.780
   47    HB3  PRO   9           2HB      PRO   9 -20.971 -28.174   6.733
   48    HG2  PRO   9           1HG      PRO   9 -18.200 -27.511   5.855
   49    HG3  PRO   9           2HG      PRO   9 -19.221 -28.887   5.354
   50    HD2  PRO   9           1HD      PRO   9 -19.069 -26.579   3.882
   51    HD3  PRO   9           2HD      PRO   9 -20.564 -27.523   3.998
   52    H    TYR  10           H        TYR  10 -18.316 -24.933   6.089
   53    HA   TYR  10           HA       TYR  10 -17.603 -24.301   8.836
   54    HB2  TYR  10           1HB      TYR  10 -16.193 -23.649   6.234
   55    HB3  TYR  10           2HB      TYR  10 -15.554 -23.404   7.849
   56    HD1  TYR  10           1HD      TYR  10 -16.594 -25.994   5.388
   57    HD2  TYR  10           2HD      TYR  10 -14.763 -25.247   9.218
   58    HE1  TYR  10           1HE      TYR  10 -15.718 -28.305   5.406
   59    HE2  TYR  10           2HE      TYR  10 -13.906 -27.592   9.260
   60    HH   TYR  10           HH       TYR  10 -13.782 -29.594   8.147
   61    H    LYS  11           H        LYS  11 -18.811 -22.786   9.730
   62    HA   LYS  11           HA       LYS  11 -19.533 -20.236   8.365
   63    HB2  LYS  11           1HB      LYS  11 -20.514 -21.672  10.848
   64    HB3  LYS  11           2HB      LYS  11 -20.730 -19.938  10.702
   65    HG2  LYS  11           1HG      LYS  11 -22.730 -20.927   9.990
   66    HG3  LYS  11           2HG      LYS  11 -21.953 -20.217   8.579
   67    HD2  LYS  11           1HD      LYS  11 -21.241 -22.460   7.821
   68    HD3  LYS  11           2HD      LYS  11 -21.900 -23.178   9.314
   69    HE2  LYS  11           1HE      LYS  11 -24.158 -22.343   8.711
   70    HE3  LYS  11           2HE      LYS  11 -23.502 -21.659   7.213
   71    HZ1  LYS  11           3HZ      LYS  11 -24.532 -23.820   6.844
   72    HZ2  LYS  11           1HZ      LYS  11 -23.513 -24.543   7.897
   73    HZ3  LYS  11           2HZ      LYS  11 -22.934 -23.881   6.499
   74    H    CYS  12           H        CYS  12 -19.075 -18.204   9.127
   75    HA   CYS  12           HA       CYS  12 -16.682 -17.834  10.731
   76    HB2  CYS  12           1HB      CYS  12 -17.132 -16.535   8.762
   77    HB3  CYS  12           2HB      CYS  12 -18.646 -15.929   9.448
   78    HA   PRO  13           HA       PRO  13 -19.162 -17.356  14.523
   79    HB2  PRO  13           1HB      PRO  13 -17.132 -16.832  16.271
   80    HB3  PRO  13           2HB      PRO  13 -17.404 -18.453  15.560
   81    HG2  PRO  13           1HG      PRO  13 -15.384 -16.358  14.768
   82    HG3  PRO  13           2HG      PRO  13 -15.167 -18.126  14.899
   83    HD2  PRO  13           1HD      PRO  13 -15.718 -16.739  12.515
   84    HD3  PRO  13           2HD      PRO  13 -16.038 -18.477  12.777
   85    H    GLN  14           H        GLN  14 -17.551 -14.974  12.714
   86    HA   GLN  14           HA       GLN  14 -18.206 -12.757  14.605
   87    HB2  GLN  14           1HB      GLN  14 -16.226 -12.663  12.316
   88    HB3  GLN  14           2HB      GLN  14 -16.409 -11.549  13.669
   89    HG2  GLN  14           1HG      GLN  14 -15.842 -13.573  15.177
   90    HG3  GLN  14           2HG      GLN  14 -15.354 -14.400  13.694
   91   HE21  GLN  14          1HE2      GLN  14 -14.612 -11.422  15.623
   92   HE22  GLN  14          2HE2      GLN  14 -12.932 -11.398  15.099
   93    H    CYS  15           H        CYS  15 -18.766 -13.899  11.294
   94    HA   CYS  15           HA       CYS  15 -20.936 -11.897  11.082
   95    HB2  CYS  15           1HB      CYS  15 -20.285 -11.079   8.928
   96    HB3  CYS  15           2HB      CYS  15 -18.961 -10.826  10.057
   97    H    SER  16           H        SER  16 -21.890 -12.350   8.605
   98    HA   SER  16           HA       SER  16 -23.257 -14.890   8.951
   99    HB2  SER  16           1HB      SER  16 -24.596 -14.113   7.014
  100    HB3  SER  16           2HB      SER  16 -24.505 -12.932   8.327
  101    HG   SER  16           HG       SER  16 -24.155 -11.974   6.259
  102    H    TYR  17           H        TYR  17 -20.305 -14.359   7.580
  103    HA   TYR  17           HA       TYR  17 -20.359 -15.662   5.076
  104    HB2  TYR  17           1HB      TYR  17 -18.531 -14.286   5.855
  105    HB3  TYR  17           2HB      TYR  17 -18.199 -15.377   7.184
  106    HD1  TYR  17           1HD      TYR  17 -18.048 -14.902   3.499
  107    HD2  TYR  17           2HD      TYR  17 -16.848 -17.414   6.799
  108    HE1  TYR  17           1HE      TYR  17 -16.397 -16.049   2.033
  109    HE2  TYR  17           2HE      TYR  17 -15.170 -18.529   5.338
  110    HH   TYR  17           HH       TYR  17 -14.755 -17.618   1.895
  111    H    ALA  18           H        ALA  18 -19.903 -17.687   4.355
  112    HA   ALA  18           HA       ALA  18 -19.156 -19.835   6.145
  113    HB1  ALA  18           1HB      ALA  18 -21.652 -19.893   6.279
  114    HB2  ALA  18           2HB      ALA  18 -21.726 -20.082   4.515
  115    HB3  ALA  18           3HB      ALA  18 -20.983 -21.348   5.518
  116    H    SER  19           H        SER  19 -18.204 -21.634   5.038
  117    HA   SER  19           HA       SER  19 -18.181 -21.620   2.074
  118    HB2  SER  19           1HB      SER  19 -16.213 -20.253   2.869
  119    HB3  SER  19           2HB      SER  19 -15.583 -21.716   3.645
  120    HG   SER  19           HG       SER  19 -16.126 -21.273   0.873
  121    H    ALA  20           H        ALA  20 -17.828 -23.603   1.112
  122    HA   ALA  20           HA       ALA  20 -18.021 -26.072   2.385
  123    HB1  ALA  20           1HB      ALA  20 -17.433 -26.975   0.235
  124    HB2  ALA  20           2HB      ALA  20 -18.508 -25.586   0.035
  125    HB3  ALA  20           3HB      ALA  20 -16.762 -25.406  -0.284
  126    H    ILE  21           H        ILE  21 -15.195 -24.095   2.403
  127    HA   ILE  21           HA       ILE  21 -13.430 -26.465   2.924
  128    HB   ILE  21           HB       ILE  21 -12.790 -23.906   1.436
  129   HG12  ILE  21          1HG1      ILE  21 -13.139 -26.767   0.427
  130   HG13  ILE  21          2HG1      ILE  21 -14.215 -25.409   0.101
  131   HG21  ILE  21          1HG2      ILE  21 -10.833 -24.743   2.674
  132   HG22  ILE  21          2HG2      ILE  21 -11.033 -26.350   1.937
  133   HG23  ILE  21          3HG2      ILE  21 -10.598 -24.927   0.960
  134   HD11  ILE  21          3HD1      ILE  21 -12.931 -25.747  -1.855
  135   HD12  ILE  21          1HD1      ILE  21 -12.338 -24.253  -1.106
  136   HD13  ILE  21          2HD1      ILE  21 -11.404 -25.765  -0.969
  137    H    LYS  22           H        LYS  22 -12.268 -26.498   4.717
  138    HA   LYS  22           HA       LYS  22 -12.513 -24.633   6.852
  139    HB2  LYS  22           1HB      LYS  22 -11.980 -26.975   7.185
  140    HB3  LYS  22           2HB      LYS  22 -10.503 -26.841   6.246
  141    HG2  LYS  22           1HG      LYS  22 -10.096 -27.014   8.657
  142    HG3  LYS  22           2HG      LYS  22  -9.414 -25.549   7.957
  143    HD2  LYS  22           1HD      LYS  22 -11.213 -24.191   8.907
  144    HD3  LYS  22           2HD      LYS  22 -12.045 -25.637   9.512
  145    HE2  LYS  22           1HE      LYS  22 -10.432 -26.056  11.158
  146    HE3  LYS  22           2HE      LYS  22  -9.163 -25.195  10.280
  147    HZ1  LYS  22           3HZ      LYS  22 -10.153 -23.119  10.824
  148    HZ2  LYS  22           1HZ      LYS  22  -9.946 -23.945  12.218
  149    HZ3  LYS  22           2HZ      LYS  22 -11.447 -23.820  11.576
  150    H    ALA  23           H        ALA  23  -9.841 -24.995   4.488
  151    HA   ALA  23           HA       ALA  23  -8.171 -22.943   5.478
  152    HB1  ALA  23           1HB      ALA  23  -7.507 -24.626   3.796
  153    HB2  ALA  23           2HB      ALA  23  -8.564 -23.849   2.592
  154    HB3  ALA  23           3HB      ALA  23  -7.165 -22.976   3.244
  155    H    ASN  24           H        ASN  24 -11.040 -22.640   3.352
  156    HA   ASN  24           HA       ASN  24 -10.673 -19.817   2.812
  157    HB2  ASN  24           1HB      ASN  24 -13.104 -21.664   2.689
  158    HB3  ASN  24           2HB      ASN  24 -13.151 -19.981   2.231
  159   HD21  ASN  24          1HD2      ASN  24 -13.966 -21.663   0.416
  160   HD22  ASN  24          2HD2      ASN  24 -12.782 -21.789  -0.892
  161    H    LEU  25           H        LEU  25 -12.470 -21.605   5.399
  162    HA   LEU  25           HA       LEU  25 -13.416 -19.184   6.643
  163    HB2  LEU  25           1HB      LEU  25 -14.428 -21.328   7.163
  164    HB3  LEU  25           2HB      LEU  25 -12.902 -21.942   7.810
  165    HG   LEU  25           HG       LEU  25 -12.969 -20.265   9.627
  166   HD11  LEU  25          1HD1      LEU  25 -14.247 -18.435   8.567
  167   HD12  LEU  25          2HD1      LEU  25 -15.019 -18.973  10.052
  168   HD13  LEU  25          3HD1      LEU  25 -15.686 -19.476   8.480
  169   HD21  LEU  25          3HD2      LEU  25 -14.755 -21.238  10.916
  170   HD22  LEU  25          1HD2      LEU  25 -14.022 -22.502   9.913
  171   HD23  LEU  25          2HD2      LEU  25 -15.587 -21.783   9.454
  172    H    ASN  26           H        ASN  26 -10.419 -21.118   7.227
  173    HA   ASN  26           HA       ASN  26  -9.327 -19.529   9.290
  174    HB2  ASN  26           1HB      ASN  26  -7.822 -20.792   6.950
  175    HB3  ASN  26           2HB      ASN  26  -7.106 -20.278   8.465
  176   HD21  ASN  26          1HD2      ASN  26  -6.791 -22.728   7.350
  177   HD22  ASN  26          2HD2      ASN  26  -7.472 -23.930   8.455
  178    H    VAL  27           H        VAL  27  -9.001 -19.067   5.741
  179    HA   VAL  27           HA       VAL  27  -7.308 -16.785   5.989
  180    HB   VAL  27           HB       VAL  27  -7.859 -18.446   3.969
  181   HG11  VAL  27          1HG1      VAL  27  -9.344 -15.979   3.039
  182   HG12  VAL  27          2HG1      VAL  27  -8.866 -17.394   2.078
  183   HG13  VAL  27          3HG1      VAL  27 -10.056 -17.581   3.356
  184   HG21  VAL  27          3HG2      VAL  27  -6.937 -15.573   3.784
  185   HG22  VAL  27          1HG2      VAL  27  -5.939 -16.995   4.225
  186   HG23  VAL  27          2HG2      VAL  27  -6.575 -16.842   2.577
  187    H    HIS  28           H        HIS  28 -10.761 -17.111   5.619
  188    HA   HIS  28           HA       HIS  28 -11.429 -14.425   5.194
  189    HB2  HIS  28           1HB      HIS  28 -12.951 -16.225   4.781
  190    HB3  HIS  28           2HB      HIS  28 -12.902 -16.774   6.451
  191    HD1  HIS  28           1HD      HIS  28 -14.597 -14.025   4.410
  192    HD2  HIS  28           2HD      HIS  28 -14.328 -15.547   8.316
  193    HE1  HIS  28           1HE      HIS  28 -16.314 -12.741   5.780
  194    H    LEU  29           H        LEU  29 -11.051 -16.154   8.316
  195    HA   LEU  29           HA       LEU  29 -12.031 -14.127  10.036
  196    HB2  LEU  29           1HB      LEU  29  -9.830 -16.175  10.482
  197    HB3  LEU  29           2HB      LEU  29 -10.580 -15.254  11.777
  198    HG   LEU  29           HG       LEU  29 -12.243 -17.039   9.975
  199   HD11  LEU  29          1HD1      LEU  29 -10.447 -18.417  10.981
  200   HD12  LEU  29          2HD1      LEU  29 -12.026 -18.805  11.674
  201   HD13  LEU  29          3HD1      LEU  29 -10.877 -17.803  12.591
  202   HD21  LEU  29          3HD2      LEU  29 -13.513 -15.473  11.352
  203   HD22  LEU  29          1HD2      LEU  29 -12.659 -16.034  12.809
  204   HD23  LEU  29          2HD2      LEU  29 -13.715 -17.140  11.908
  205    H    ARG  30           H        ARG  30  -8.992 -14.233   8.345
  206    HA   ARG  30           HA       ARG  30  -7.373 -12.613  10.003
  207    HB2  ARG  30           1HB      ARG  30  -7.364 -12.826   6.959
  208    HB3  ARG  30           2HB      ARG  30  -6.055 -12.170   7.938
  209    HG2  ARG  30           1HG      ARG  30  -5.749 -14.343   9.068
  210    HG3  ARG  30           2HG      ARG  30  -7.067 -15.040   8.109
  211    HD2  ARG  30           1HD      ARG  30  -5.815 -14.561   6.028
  212    HD3  ARG  30           2HD      ARG  30  -4.478 -13.901   6.995
  213    HE   ARG  30           HE       ARG  30  -5.061 -16.523   7.938
  214   HH11  ARG  30          2HH1      ARG  30  -3.636 -15.057   5.092
  215   HH12  ARG  30          1HH1      ARG  30  -2.659 -16.456   4.749
  216   HH21  ARG  30          2HH2      ARG  30  -3.777 -18.271   7.448
  217   HH22  ARG  30          1HH2      ARG  30  -2.746 -18.227   6.048
  218    H    LYS  31           H        LYS  31  -9.934 -11.607   7.804
  219    HA   LYS  31           HA       LYS  31  -9.178  -8.796   7.762
  220    HB2  LYS  31           1HB      LYS  31 -11.009  -8.456   6.413
  221    HB3  LYS  31           2HB      LYS  31 -10.550 -10.123   6.060
  222    HG2  LYS  31           1HG      LYS  31 -12.425 -10.876   7.614
  223    HG3  LYS  31           2HG      LYS  31 -12.866  -9.185   7.819
  224    HD2  LYS  31           1HD      LYS  31 -14.331 -10.133   6.179
  225    HD3  LYS  31           2HD      LYS  31 -13.264  -8.964   5.390
  226    HE2  LYS  31           1HE      LYS  31 -11.802 -10.920   4.669
  227    HE3  LYS  31           2HE      LYS  31 -13.018 -12.010   5.339
  228    HZ1  LYS  31           3HZ      LYS  31 -13.345 -11.635   2.941
  229    HZ2  LYS  31           1HZ      LYS  31 -13.468 -10.028   3.155
  230    HZ3  LYS  31           2HZ      LYS  31 -14.625 -11.010   3.747
  231    H    HIS  32           H        HIS  32 -10.931 -10.689  10.016
  232    HA   HIS  32           HA       HIS  32 -12.362  -8.454  11.269
  233    HB2  HIS  32           1HB      HIS  32 -12.101 -11.389  12.005
  234    HB3  HIS  32           2HB      HIS  32 -13.168 -10.235  12.797
  235    HD1  HIS  32           1HD      HIS  32 -14.632  -8.881  10.397
  236    HD2  HIS  32           2HD      HIS  32 -13.777 -12.971  10.809
  237    HE1  HIS  32           1HE      HIS  32 -16.364 -10.085   8.996
  238    H    THR  33           H        THR  33  -9.173  -9.140  11.411
  239    HA   THR  33           HA       THR  33  -8.835  -7.974  14.105
  240    HB   THR  33           HB       THR  33  -8.797 -10.357  14.501
  241    HG1  THR  33           1HG      THR  33  -6.898 -10.467  15.582
  242   HG21  THR  33          3HG2      THR  33  -8.040 -11.244  12.343
  243   HG22  THR  33          1HG2      THR  33  -6.998 -11.815  13.653
  244   HG23  THR  33          2HG2      THR  33  -6.438 -10.509  12.585
  245    H    GLY  34           H        GLY  34  -6.410  -7.716  14.485
  246    HA2  GLY  34           1HA      GLY  34  -4.430  -6.818  14.029
  247    HA3  GLY  34           2HA      GLY  34  -4.526  -7.564  12.439
  248    H    GLU  35           H        GLU  35  -3.347  -5.809  11.535
  249    HA   GLU  35           HA       GLU  35  -5.076  -3.529  10.709
  250    HB2  GLU  35           1HB      GLU  35  -2.220  -3.379  11.718
  251    HB3  GLU  35           2HB      GLU  35  -2.836  -2.212  10.535
  252    HG2  GLU  35           1HG      GLU  35  -4.604  -1.501  12.011
  253    HG3  GLU  35           2HG      GLU  35  -4.205  -2.757  13.177
  254    H    LYS  36           H        LYS  36  -5.287  -3.311   8.666
  255    HA   LYS  36           HA       LYS  36  -3.653  -4.958   6.809
  256    HB2  LYS  36           1HB      LYS  36  -6.211  -3.372   6.439
  257    HB3  LYS  36           2HB      LYS  36  -5.203  -3.863   5.080
  258    HG2  LYS  36           1HG      LYS  36  -5.314  -6.243   6.407
  259    HG3  LYS  36           2HG      LYS  36  -6.867  -5.570   6.905
  260    HD2  LYS  36           1HD      LYS  36  -7.580  -5.343   4.582
  261    HD3  LYS  36           2HD      LYS  36  -5.938  -5.646   3.997
  262    HE2  LYS  36           1HE      LYS  36  -6.084  -7.953   5.081
  263    HE3  LYS  36           2HE      LYS  36  -7.818  -7.655   5.273
  264    HZ1  LYS  36           3HZ      LYS  36  -7.311  -8.818   3.178
  265    HZ2  LYS  36           1HZ      LYS  36  -6.325  -7.609   2.687
  266    HZ3  LYS  36           2HZ      LYS  36  -7.934  -7.344   2.839
  267    H    PHE  37           H        PHE  37  -1.840  -4.366   6.300
  268    HA   PHE  37           HA       PHE  37  -1.280  -1.557   5.460
  269    HB2  PHE  37           1HB      PHE  37   0.709  -3.814   5.813
  270    HB3  PHE  37           2HB      PHE  37   1.018  -2.083   5.637
  271    HD1  PHE  37           2HD      PHE  37   0.616  -0.511   7.510
  272    HD2  PHE  37           1HD      PHE  37   0.093  -4.769   7.947
  273    HE1  PHE  37           2HE      PHE  37   0.587  -0.260   9.966
  274    HE2  PHE  37           1HE      PHE  37   0.084  -4.518  10.398
  275    HZ   PHE  37           HZ       PHE  37   0.261  -2.258  11.434
  276    H    ALA  38           H        ALA  38  -1.490  -1.151   3.373
  277    HA   ALA  38           HA       ALA  38  -1.542  -3.297   1.350
  278    HB1  ALA  38           1HB      ALA  38  -2.404  -1.560  -0.136
  279    HB2  ALA  38           2HB      ALA  38  -3.317  -1.554   1.389
  280    HB3  ALA  38           3HB      ALA  38  -2.077  -0.313   1.083
  281    H    CYS  39           H        CYS  39  -0.227  -3.488  -0.468
  282    HA   CYS  39           HA       CYS  39   2.469  -2.471  -0.322
  283    HB2  CYS  39           1HB      CYS  39   1.812  -4.627  -1.172
  284    HB3  CYS  39           2HB      CYS  39   0.829  -3.894  -2.435
  285    H    ASP  40           H        ASP  40   3.476  -0.953  -1.461
  286    HA   ASP  40           HA       ASP  40   1.866   1.267  -2.545
  287    HB2  ASP  40           1HB      ASP  40   3.795   1.586  -0.955
  288    HB3  ASP  40           2HB      ASP  40   4.880   1.028  -2.227
  289    H    TYR  41           H        TYR  41   3.077  -1.592  -3.787
  290    HA   TYR  41           HA       TYR  41   3.664  -0.453  -6.508
  291    HB2  TYR  41           1HB      TYR  41   4.791  -2.907  -5.127
  292    HB3  TYR  41           2HB      TYR  41   5.109  -2.422  -6.779
  293    HD1  TYR  41           2HD      TYR  41   5.528  -1.561  -3.212
  294    HD2  TYR  41           1HD      TYR  41   6.785  -0.720  -7.244
  295    HE1  TYR  41           2HE      TYR  41   7.440  -0.208  -2.330
  296    HE2  TYR  41           1HE      TYR  41   8.722   0.592  -6.370
  297    HH   TYR  41           HH       TYR  41   9.288   1.050  -2.862
  298    H    CYS  42           H        CYS  42   1.833  -2.890  -4.740
  299    HA   CYS  42           HA       CYS  42   0.223  -3.294  -7.184
  300    HB2  CYS  42           1HB      CYS  42   0.096  -5.701  -6.968
  301    HB3  CYS  42           2HB      CYS  42   1.753  -5.169  -7.258
  302    H    SER  43           H        SER  43  -1.719  -4.898  -6.482
  303    HA   SER  43           HA       SER  43  -3.288  -3.412  -4.529
  304    HB2  SER  43           1HB      SER  43  -5.102  -4.948  -5.253
  305    HB3  SER  43           2HB      SER  43  -4.315  -4.099  -6.591
  306    HG   SER  43           HG       SER  43  -4.604  -6.347  -7.022
  307    H    PHE  44           H        PHE  44  -0.974  -5.590  -3.886
  308    HA   PHE  44           HA       PHE  44  -2.147  -7.574  -2.254
  309    HB2  PHE  44           1HB      PHE  44   0.079  -7.702  -3.085
  310    HB3  PHE  44           2HB      PHE  44   0.580  -6.275  -2.203
  311    HD1  PHE  44           2HD      PHE  44  -0.473  -9.843  -1.827
  312    HD2  PHE  44           1HD      PHE  44   1.395  -6.433   0.042
  313    HE1  PHE  44           2HE      PHE  44   0.356 -11.294   0.013
  314    HE2  PHE  44           1HE      PHE  44   2.253  -7.890   1.851
  315    HZ   PHE  44           HZ       PHE  44   1.726 -10.322   1.847
  316    H    THR  45           H        THR  45  -2.338  -7.786  -0.060
  317    HA   THR  45           HA       THR  45  -1.773  -5.554   1.741
  318    HB   THR  45           HB       THR  45  -3.866  -5.819   2.969
  319    HG1  THR  45           1HG      THR  45  -4.763  -7.220   0.679
  320   HG21  THR  45          3HG2      THR  45  -3.625  -3.966   1.492
  321   HG22  THR  45          1HG2      THR  45  -5.308  -4.526   1.442
  322   HG23  THR  45          2HG2      THR  45  -4.197  -4.909   0.095
  323    H    CYS  46           H        CYS  46  -1.460  -6.101   3.846
  324    HA   CYS  46           HA       CYS  46  -1.494  -8.978   4.606
  325    HB2  CYS  46           1HB      CYS  46   0.737  -8.378   3.570
  326    HB3  CYS  46           2HB      CYS  46   1.008  -7.269   4.928
  327    HG   CYS  46           HG       CYS  46   2.317  -9.585   5.199
  328    H    LEU  47           H        LEU  47  -1.427  -9.386   6.830
  329    HA   LEU  47           HA       LEU  47  -2.500  -7.231   8.508
  330    HB2  LEU  47           1HB      LEU  47  -2.322 -10.235   8.819
  331    HB3  LEU  47           2HB      LEU  47  -2.763  -9.199  10.156
  332    HG   LEU  47           HG       LEU  47  -4.734 -10.112   9.216
  333   HD11  LEU  47          1HD1      LEU  47  -4.631  -7.173   8.422
  334   HD12  LEU  47          2HD1      LEU  47  -4.835  -7.786  10.076
  335   HD13  LEU  47          3HD1      LEU  47  -6.060  -8.124   8.849
  336   HD21  LEU  47          3HD2      LEU  47  -5.568  -9.738   7.000
  337   HD22  LEU  47          1HD2      LEU  47  -3.963 -10.477   6.874
  338   HD23  LEU  47          2HD2      LEU  47  -4.173  -8.735   6.566
  339    H    SER  48           H        SER  48   0.553  -7.992   7.762
  340    HA   SER  48           HA       SER  48   1.581  -6.755  10.263
  341    HB2  SER  48           1HB      SER  48   2.138  -9.065  10.601
  342    HB3  SER  48           2HB      SER  48   2.719  -9.233   8.934
  343    HG   SER  48           HG       SER  48   4.364  -8.884  10.631
  344    H    LYS  49           H        LYS  49   2.726  -5.093   9.915
  345    HA   LYS  49           HA       LYS  49   3.464  -4.077   7.346
  346    HB2  LYS  49           1HB      LYS  49   4.939  -2.552   8.850
  347    HB3  LYS  49           2HB      LYS  49   3.184  -2.383   8.817
  348    HG2  LYS  49           1HG      LYS  49   3.020  -3.605  10.962
  349    HG3  LYS  49           2HG      LYS  49   4.785  -3.813  10.985
  350    HD2  LYS  49           1HD      LYS  49   5.110  -1.401  11.141
  351    HD3  LYS  49           2HD      LYS  49   3.376  -1.104  10.884
  352    HE2  LYS  49           1HE      LYS  49   2.830  -2.293  12.964
  353    HE3  LYS  49           2HE      LYS  49   4.542  -2.645  13.240
  354    HZ1  LYS  49           3HZ      LYS  49   3.357   0.082  13.152
  355    HZ2  LYS  49           1HZ      LYS  49   4.939  -0.242  13.406
  356    HZ3  LYS  49           2HZ      LYS  49   3.824  -0.698  14.505
  357    H    GLY  50           H        GLY  50   5.195  -6.073   9.676
  358    HA2  GLY  50           1HA      GLY  50   7.838  -5.791   8.493
  359    HA3  GLY  50           2HA      GLY  50   7.286  -7.017   9.637
  360    H    HIS  51           H        HIS  51   5.146  -8.160   8.105
  361    HA   HIS  51           HA       HIS  51   6.557  -9.735   6.095
  362    HB2  HIS  51           1HB      HIS  51   3.621  -9.514   6.801
  363    HB3  HIS  51           2HB      HIS  51   4.298 -10.690   5.673
  364    HD1  HIS  51           1HD      HIS  51   2.785 -11.774   8.175
  365    HD2  HIS  51           2HD      HIS  51   6.930 -11.066   7.949
  366    HE1  HIS  51           1HE      HIS  51   3.861 -13.234   9.968
  367    H    LEU  52           H        LEU  52   4.335  -6.916   5.919
  368    HA   LEU  52           HA       LEU  52   4.226  -6.800   3.070
  369    HB2  LEU  52           1HB      LEU  52   2.720  -5.505   4.494
  370    HB3  LEU  52           2HB      LEU  52   4.082  -4.618   5.179
  371    HG   LEU  52           HG       LEU  52   4.580  -3.624   2.948
  372   HD11  LEU  52          1HD1      LEU  52   3.613  -5.376   1.479
  373   HD12  LEU  52          2HD1      LEU  52   2.900  -3.806   1.168
  374   HD13  LEU  52          3HD1      LEU  52   1.986  -5.003   2.106
  375   HD21  LEU  52          3HD2      LEU  52   3.083  -2.529   4.642
  376   HD22  LEU  52          1HD2      LEU  52   1.704  -3.208   3.744
  377   HD23  LEU  52          2HD2      LEU  52   2.792  -2.049   2.959
  378    H    LYS  53           H        LYS  53   6.649  -5.389   5.357
  379    HA   LYS  53           HA       LYS  53   8.328  -4.187   3.385
  380    HB2  LYS  53           1HB      LYS  53   8.714  -3.674   5.652
  381    HB3  LYS  53           2HB      LYS  53   8.837  -5.362   6.136
  382    HG2  LYS  53           1HG      LYS  53  10.944  -5.647   4.977
  383    HG3  LYS  53           2HG      LYS  53  10.867  -4.020   4.303
  384    HD2  LYS  53           1HD      LYS  53  10.983  -4.728   7.271
  385    HD3  LYS  53           2HD      LYS  53  12.391  -4.286   6.311
  386    HE2  LYS  53           1HE      LYS  53   9.994  -2.466   6.846
  387    HE3  LYS  53           2HE      LYS  53  11.505  -2.444   7.753
  388    HZ1  LYS  53           3HZ      LYS  53  11.272  -1.840   4.853
  389    HZ2  LYS  53           1HZ      LYS  53  12.674  -1.860   5.697
  390    HZ3  LYS  53           2HZ      LYS  53  11.529  -0.753   6.038
  391    H    VAL  54           H        VAL  54   8.412  -7.563   4.642
  392    HA   VAL  54           HA       VAL  54  10.494  -8.434   2.909
  393    HB   VAL  54           HB       VAL  54   8.221  -9.993   4.193
  394   HG11  VAL  54          1HG1      VAL  54  10.645 -11.021   2.654
  395   HG12  VAL  54          2HG1      VAL  54   9.694 -12.010   3.795
  396   HG13  VAL  54          3HG1      VAL  54   8.923 -11.367   2.348
  397   HG21  VAL  54          3HG2      VAL  54   9.888  -8.931   5.710
  398   HG22  VAL  54          1HG2      VAL  54   9.974 -10.698   5.745
  399   HG23  VAL  54          2HG2      VAL  54  11.187  -9.763   4.833
  400    H    HIS  55           H        HIS  55   6.956  -8.406   2.329
  401    HA   HIS  55           HA       HIS  55   6.979  -9.567  -0.242
  402    HB2  HIS  55           1HB      HIS  55   4.879  -9.182   0.879
  403    HB3  HIS  55           2HB      HIS  55   5.176  -7.454   1.003
  404    HD1  HIS  55           1HD      HIS  55   4.071 -10.031  -1.608
  405    HD2  HIS  55           2HD      HIS  55   4.474  -5.889  -1.015
  406    HE1  HIS  55           1HE      HIS  55   2.930  -8.929  -3.586
  407    H    ILE  56           H        ILE  56   7.446  -6.083   0.583
  408    HA   ILE  56           HA       ILE  56   7.854  -5.357  -2.203
  409    HB   ILE  56           HB       ILE  56   8.467  -3.910   0.378
  410   HG12  ILE  56          1HG1      ILE  56   6.232  -3.441  -1.649
  411   HG13  ILE  56          2HG1      ILE  56   6.032  -4.414  -0.198
  412   HG21  ILE  56          1HG2      ILE  56   9.943  -3.108  -1.456
  413   HG22  ILE  56          2HG2      ILE  56   8.525  -2.879  -2.500
  414   HG23  ILE  56          3HG2      ILE  56   8.748  -1.884  -1.040
  415   HD11  ILE  56          3HD1      ILE  56   6.658  -1.449  -0.230
  416   HD12  ILE  56          1HD1      ILE  56   5.140  -2.242   0.227
  417   HD13  ILE  56          2HD1      ILE  56   6.585  -2.478   1.225
  418    H    GLU  57           H        GLU  57  10.106  -6.145   0.443
  419    HA   GLU  57           HA       GLU  57  12.553  -5.608  -0.933
  420    HB2  GLU  57           1HB      GLU  57  11.772  -7.446   1.352
  421    HB3  GLU  57           2HB      GLU  57  13.435  -7.306   0.822
  422    HG2  GLU  57           1HG      GLU  57  11.850  -4.831   1.600
  423    HG3  GLU  57           2HG      GLU  57  12.613  -5.874   2.791
  424    H    ARG  58           H        ARG  58  10.394  -8.271  -1.204
  425    HA   ARG  58           HA       ARG  58  12.400  -9.856  -2.783
  426    HB2  ARG  58           1HB      ARG  58  11.366 -11.813  -2.201
  427    HB3  ARG  58           2HB      ARG  58  11.203 -10.819  -0.770
  428    HG2  ARG  58           1HG      ARG  58   8.835 -10.269  -1.554
  429    HG3  ARG  58           2HG      ARG  58   9.054 -11.549  -2.770
  430    HD2  ARG  58           1HD      ARG  58   9.584 -13.135  -0.893
  431    HD3  ARG  58           2HD      ARG  58   9.222 -11.819   0.247
  432    HE   ARG  58           HE       ARG  58   7.033 -12.264  -1.593
  433   HH11  ARG  58          2HH1      ARG  58   8.444 -13.700   1.275
  434   HH12  ARG  58          1HH1      ARG  58   6.931 -14.399   1.779
  435   HH21  ARG  58          2HH2      ARG  58   5.139 -13.220  -0.903
  436   HH22  ARG  58          1HH2      ARG  58   5.120 -14.132   0.574
  437    H    VAL  59           H        VAL  59   9.090  -8.556  -3.123
  438    HA   VAL  59           HA       VAL  59   8.992  -9.658  -5.822
  439    HB   VAL  59           HB       VAL  59   6.871  -7.998  -4.415
  440   HG11  VAL  59          1HG1      VAL  59   6.711  -9.783  -6.882
  441   HG12  VAL  59          2HG1      VAL  59   5.337  -8.985  -6.083
  442   HG13  VAL  59          3HG1      VAL  59   6.578  -8.012  -6.867
  443   HG21  VAL  59          3HG2      VAL  59   7.192 -11.022  -4.670
  444   HG22  VAL  59          1HG2      VAL  59   7.177 -10.064  -3.169
  445   HG23  VAL  59          2HG2      VAL  59   5.710 -10.205  -4.124
  446    H    HIS  60           H        HIS  60   9.012  -6.408  -4.314
  447    HA   HIS  60           HA       HIS  60   9.211  -5.143  -6.988
  448    HB2  HIS  60           1HB      HIS  60   8.288  -3.905  -4.412
  449    HB3  HIS  60           2HB      HIS  60   8.135  -3.247  -6.036
  450    HD1  HIS  60           1HD      HIS  60   6.418  -4.853  -7.702
  451    HD2  HIS  60           2HD      HIS  60   6.246  -5.160  -3.516
  452    HE1  HIS  60           1HE      HIS  60   4.132  -5.839  -7.174
  453    H    LYS  61           H        LYS  61  11.480  -6.143  -5.258
  454    HA   LYS  61           HA       LYS  61  13.079  -3.695  -4.817
  455    HB2  LYS  61           1HB      LYS  61  13.042  -5.416  -3.164
  456    HB3  LYS  61           2HB      LYS  61  13.577  -6.641  -4.295
  457    HG2  LYS  61           1HG      LYS  61  15.276  -4.193  -3.640
  458    HG3  LYS  61           2HG      LYS  61  15.215  -5.564  -2.551
  459    HD2  LYS  61           1HD      LYS  61  16.285  -5.554  -5.388
  460    HD3  LYS  61           2HD      LYS  61  17.183  -5.767  -3.900
  461    HE2  LYS  61           1HE      LYS  61  15.197  -7.711  -5.150
  462    HE3  LYS  61           2HE      LYS  61  16.948  -7.885  -5.064
  463    HZ1  LYS  61           3HZ      LYS  61  16.724  -7.974  -2.606
  464    HZ2  LYS  61           1HZ      LYS  61  15.933  -9.198  -3.335
  465    HZ3  LYS  61           2HZ      LYS  61  15.085  -7.941  -2.736
  466    H    LYS  62           H        LYS  62  14.721  -3.017  -6.042
  467    HA   LYS  62           HA       LYS  62  15.621  -2.404  -8.015
  468    HB2  LYS  62           1HB      LYS  62  17.085  -4.351  -7.259
  469    HB3  LYS  62           2HB      LYS  62  16.279  -5.325  -8.494
  470    HG2  LYS  62           1HG      LYS  62  17.083  -3.663 -10.231
  471    HG3  LYS  62           2HG      LYS  62  17.836  -2.728  -8.939
  472    HD2  LYS  62           1HD      LYS  62  19.529  -4.029 -10.037
  473    HD3  LYS  62           2HD      LYS  62  19.305  -4.676  -8.404
  474    HE2  LYS  62           1HE      LYS  62  17.895  -6.506  -9.322
  475    HE3  LYS  62           2HE      LYS  62  18.055  -5.827 -10.946
  476    HZ1  LYS  62           3HZ      LYS  62  20.454  -6.243 -10.813
  477    HZ2  LYS  62           1HZ      LYS  62  19.636  -7.635 -10.580
  478    HZ3  LYS  62           2HZ      LYS  62  20.309  -6.866  -9.308
  479    H    ILE  63           H        ILE  63  13.087  -2.316  -8.194
  480    HA   ILE  63           HA       ILE  63  12.070  -3.633 -10.630
  481    HB   ILE  63           HB       ILE  63  10.738  -3.466  -8.534
  482   HG12  ILE  63          1HG1      ILE  63   9.441  -2.252 -10.998
  483   HG13  ILE  63          2HG1      ILE  63   9.741  -3.969 -10.721
  484   HG21  ILE  63          1HG2      ILE  63  11.374  -1.078  -7.977
  485   HG22  ILE  63          2HG2      ILE  63  10.298  -0.545  -9.287
  486   HG23  ILE  63          3HG2      ILE  63   9.650  -1.414  -7.882
  487   HD11  ILE  63          3HD1      ILE  63   8.252  -3.852  -8.701
  488   HD12  ILE  63          1HD1      ILE  63   7.867  -2.167  -9.134
  489   HD13  ILE  63          2HD1      ILE  63   7.430  -3.486 -10.230
  490    H    LYS  64           H        LYS  64  11.328  -2.535 -12.484
  491    HA   LYS  64           HA       LYS  64  12.662  -0.017 -13.185
  492    HB2  LYS  64           1HB      LYS  64  10.556  -1.617 -14.696
  493    HB3  LYS  64           2HB      LYS  64  11.458  -0.227 -15.317
  494    HG2  LYS  64           1HG      LYS  64  13.602  -1.518 -14.872
  495    HG3  LYS  64           2HG      LYS  64  12.617  -2.937 -14.519
  496    HD2  LYS  64           1HD      LYS  64  12.640  -1.413 -17.163
  497    HD3  LYS  64           2HD      LYS  64  13.512  -2.915 -16.828
  498    HE2  LYS  64           1HE      LYS  64  11.333  -4.048 -16.336
  499    HE3  LYS  64           2HE      LYS  64  10.479  -2.561 -16.769
  500    HZ1  LYS  64           3HZ      LYS  64  12.214  -4.131 -18.605
  501    HZ2  LYS  64           1HZ      LYS  64  11.434  -2.753 -19.011
  502    HZ3  LYS  64           2HZ      LYS  64  10.585  -4.098 -18.646
  503    H    GLN  65           H        GLN  65  11.666   1.928 -13.688
  504    HA   GLN  65           HA       GLN  65   9.109   2.499 -12.219
  505    HB2  GLN  65           1HB      GLN  65  11.652   4.161 -12.464
  506    HB3  GLN  65           2HB      GLN  65  10.157   4.722 -11.722
  507    HG2  GLN  65           1HG      GLN  65  11.739   2.319 -10.702
  508    HG3  GLN  65           2HG      GLN  65  11.909   3.964 -10.111
  509   HE21  GLN  65          1HE2      GLN  65  11.330   2.322  -8.145
  510   HE22  GLN  65          2HE2      GLN  65   9.635   2.445  -7.700
  511    H    HIS  66           H        HIS  66   8.035   4.554 -12.942
  512    HA   HIS  66           HA       HIS  66   8.606   5.283 -15.752
  513    HB2  HIS  66           1HB      HIS  66   6.305   5.295 -16.399
  514    HB3  HIS  66           2HB      HIS  66   6.742   3.690 -15.838
  515    HD1  HIS  66           1HD      HIS  66   5.346   2.757 -13.757
  516    HD2  HIS  66           2HD      HIS  66   4.648   6.786 -14.761
  517    HE1  HIS  66           1HE      HIS  66   3.309   3.490 -12.407
  518    H    CYS  67           H        CYS  67   8.210   7.345 -16.348
  519    HA   CYS  67           HA       CYS  67   8.412   9.361 -14.356
  520    HB2  CYS  67           1HB      CYS  67   9.476   9.420 -16.547
  521    HB3  CYS  67           2HB      CYS  67   7.897   9.454 -17.340
  522    H    ARG  68           H        ARG  68   7.124  10.718 -13.474
  523    HA   ARG  68           HA       ARG  68   4.257  10.355 -13.352
  524    HB2  ARG  68           1HB      ARG  68   5.604  11.048 -11.460
  525    HB3  ARG  68           2HB      ARG  68   6.176  12.491 -12.286
  526    HG2  ARG  68           1HG      ARG  68   3.218  12.126 -11.902
  527    HG3  ARG  68           2HG      ARG  68   4.206  12.534 -10.496
  528    HD2  ARG  68           1HD      ARG  68   4.965  14.569 -11.477
  529    HD3  ARG  68           2HD      ARG  68   4.217  14.221 -13.029
  530    HE   ARG  68           HE       ARG  68   2.948  15.276 -10.629
  531   HH11  ARG  68          2HH1      ARG  68   2.184  13.556 -13.615
  532   HH12  ARG  68          1HH1      ARG  68   0.553  14.175 -13.626
  533   HH21  ARG  68          2HH2      ARG  68   0.854  15.975 -10.720
  534   HH22  ARG  68          1HH2      ARG  68  -0.176  15.483 -12.029
  535    H    PHE  69           H        PHE  69   6.267  12.284 -15.381
  536    HA   PHE  69           HA       PHE  69   4.041  14.147 -16.082
  537    HB2  PHE  69           1HB      PHE  69   7.020  14.319 -16.522
  538    HB3  PHE  69           2HB      PHE  69   5.860  15.576 -16.908
  539    HD1  PHE  69           1HD      PHE  69   7.576  13.757 -14.144
  540    HD2  PHE  69           2HD      PHE  69   4.951  17.024 -15.162
  541    HE1  PHE  69           1HE      PHE  69   7.962  14.760 -11.912
  542    HE2  PHE  69           2HE      PHE  69   5.330  18.019 -12.919
  543    HZ   PHE  69           HZ       PHE  69   6.862  16.908 -11.302
  544    H    CYS  70           H        CYS  70   6.263  11.836 -17.645
  545    HA   CYS  70           HA       CYS  70   4.747  12.185 -20.187
  546    HB2  CYS  70           1HB      CYS  70   6.703  12.138 -21.507
  547    HB3  CYS  70           2HB      CYS  70   6.790  13.458 -20.346
  548    H    LYS  71           H        LYS  71   5.266   9.978 -17.874
  549    HA   LYS  71           HA       LYS  71   5.193   7.731 -17.657
  550    HB2  LYS  71           1HB      LYS  71   3.712   7.815 -20.303
  551    HB3  LYS  71           2HB      LYS  71   3.673   6.497 -19.145
  552    HG2  LYS  71           1HG      LYS  71   2.635   9.308 -18.589
  553    HG3  LYS  71           2HG      LYS  71   1.665   7.928 -19.093
  554    HD2  LYS  71           1HD      LYS  71   2.302   6.697 -17.021
  555    HD3  LYS  71           2HD      LYS  71   3.292   8.068 -16.521
  556    HE2  LYS  71           1HE      LYS  71   1.263   8.230 -15.311
  557    HE3  LYS  71           2HE      LYS  71   1.275   9.530 -16.504
  558    HZ1  LYS  71           3HZ      LYS  71  -0.876   8.387 -16.411
  559    HZ2  LYS  71           1HZ      LYS  71  -0.195   6.957 -16.796
  560    HZ3  LYS  71           2HZ      LYS  71  -0.218   8.177 -17.886
  561    H    LYS  72           H        LYS  72   7.487   8.849 -19.427
  562    HA   LYS  72           HA       LYS  72   8.549   6.660 -20.950
  563    HB2  LYS  72           1HB      LYS  72   9.295   9.099 -20.901
  564    HB3  LYS  72           2HB      LYS  72  10.110   8.739 -19.387
  565    HG2  LYS  72           1HG      LYS  72  11.467   7.012 -20.495
  566    HG3  LYS  72           2HG      LYS  72  10.534   7.193 -21.993
  567    HD2  LYS  72           1HD      LYS  72  11.395   9.488 -22.297
  568    HD3  LYS  72           2HD      LYS  72  12.226   9.394 -20.739
  569    HE2  LYS  72           1HE      LYS  72  13.949   8.841 -22.191
  570    HE3  LYS  72           2HE      LYS  72  13.348   7.261 -21.655
  571    HZ1  LYS  72           3HZ      LYS  72  12.095   7.113 -23.748
  572    HZ2  LYS  72           1HZ      LYS  72  13.677   7.332 -24.068
  573    HZ3  LYS  72           2HZ      LYS  72  12.638   8.578 -24.228
  574    H    LYS  73           H        LYS  73   9.631   4.828 -20.350
  575    HA   LYS  73           HA       LYS  73   9.672   4.141 -17.471
  576    HB2  LYS  73           1HB      LYS  73   9.922   2.467 -19.979
  577    HB3  LYS  73           2HB      LYS  73  10.283   1.830 -18.363
  578    HG2  LYS  73           1HG      LYS  73   8.047   2.449 -17.561
  579    HG3  LYS  73           2HG      LYS  73   7.636   3.122 -19.149
  580    HD2  LYS  73           1HD      LYS  73   7.877   0.891 -20.179
  581    HD3  LYS  73           2HD      LYS  73   8.365   0.205 -18.610
  582    HE2  LYS  73           1HE      LYS  73   6.197   0.874 -17.628
  583    HE3  LYS  73           2HE      LYS  73   5.702   1.587 -19.169
  584    HZ1  LYS  73           3HZ      LYS  73   5.831  -0.638 -20.165
  585    HZ2  LYS  73           1HZ      LYS  73   4.795  -0.651 -18.906
  586    HZ3  LYS  73           2HZ      LYS  73   6.281  -1.300 -18.739
  587    H    TYR  74           H        TYR  74  11.316   3.529 -16.312
  588    HA   TYR  74           HA       TYR  74  14.092   4.102 -17.268
  589    HB2  TYR  74           1HB      TYR  74  12.523   5.376 -15.023
  590    HB3  TYR  74           2HB      TYR  74  14.261   5.162 -14.853
  591    HD1  TYR  74           1HD      TYR  74  11.640   6.851 -16.924
  592    HD2  TYR  74           2HD      TYR  74  15.847   6.411 -16.091
  593    HE1  TYR  74           1HE      TYR  74  12.153   8.644 -18.575
  594    HE2  TYR  74           2HE      TYR  74  16.366   8.178 -17.771
  595    HH   TYR  74           HH       TYR  74  15.541   9.518 -19.410
  596    H    SER  75           H        SER  75  15.548   2.649 -16.765
  597    HA   SER  75           HA       SER  75  14.848   0.276 -15.291
  598    HB2  SER  75           1HB      SER  75  17.528   1.122 -16.440
  599    HB3  SER  75           2HB      SER  75  17.065  -0.515 -15.935
  600    HG   SER  75           HG       SER  75  16.824  -0.196 -18.205
  601    H    ASP  76           H        ASP  76  16.168   3.220 -14.207
  602    HA   ASP  76           HA       ASP  76  16.654   2.038 -11.543
  603    HB2  ASP  76           1HB      ASP  76  18.880   2.480 -12.854
  604    HB3  ASP  76           2HB      ASP  76  18.527   4.179 -12.603
  605    H    VAL  77           H        VAL  77  15.743   3.280  -9.939
  606    HA   VAL  77           HA       VAL  77  14.031   5.498 -10.596
  607    HB   VAL  77           HB       VAL  77  13.766   3.969  -8.629
  608   HG11  VAL  77          1HG1      VAL  77  14.896   4.373  -6.544
  609   HG12  VAL  77          2HG1      VAL  77  16.116   4.007  -7.772
  610   HG13  VAL  77          3HG1      VAL  77  15.859   5.686  -7.239
  611   HG21  VAL  77          3HG2      VAL  77  12.839   5.668  -7.153
  612   HG22  VAL  77          1HG2      VAL  77  13.802   6.934  -7.942
  613   HG23  VAL  77          2HG2      VAL  77  12.519   6.097  -8.841
  614    H    LYS  78           H        LYS  78  17.442   5.361  -9.504
  615    HA   LYS  78           HA       LYS  78  17.705   8.181  -8.926
  616    HB2  LYS  78           1HB      LYS  78  19.786   6.133  -9.800
  617    HB3  LYS  78           2HB      LYS  78  20.143   7.764  -9.219
  618    HG2  LYS  78           1HG      LYS  78  19.099   7.258  -7.037
  619    HG3  LYS  78           2HG      LYS  78  18.661   5.643  -7.598
  620    HD2  LYS  78           1HD      LYS  78  20.608   5.461  -6.212
  621    HD3  LYS  78           2HD      LYS  78  21.064   5.076  -7.878
  622    HE2  LYS  78           1HE      LYS  78  22.003   7.361  -8.152
  623    HE3  LYS  78           2HE      LYS  78  21.493   7.776  -6.511
  624    HZ1  LYS  78           3HZ      LYS  78  23.001   6.052  -5.678
  625    HZ2  LYS  78           1HZ      LYS  78  23.833   7.127  -6.578
  626    HZ3  LYS  78           2HZ      LYS  78  23.469   5.662  -7.195
  627    H    ASN  79           H        ASN  79  18.009   6.362 -11.970
  628    HA   ASN  79           HA       ASN  79  18.850   8.709 -13.480
  629    HB2  ASN  79           1HB      ASN  79  17.755   5.989 -14.338
  630    HB3  ASN  79           2HB      ASN  79  18.303   7.228 -15.462
  631   HD21  ASN  79          1HD2      ASN  79  19.511   4.846 -15.702
  632   HD22  ASN  79          2HD2      ASN  79  21.141   4.937 -15.052
  633    H    LEU  80           H        LEU  80  15.687   7.294 -12.664
  634    HA   LEU  80           HA       LEU  80  14.138   8.967 -14.376
  635    HB2  LEU  80           1HB      LEU  80  13.252   6.969 -13.178
  636    HB3  LEU  80           2HB      LEU  80  13.456   7.834 -11.647
  637    HG   LEU  80           HG       LEU  80  11.809   9.513 -12.290
  638   HD11  LEU  80          1HD1      LEU  80  12.120   9.384 -14.795
  639   HD12  LEU  80          2HD1      LEU  80  10.460   9.302 -14.266
  640   HD13  LEU  80          3HD1      LEU  80  11.294   7.809 -14.755
  641   HD21  LEU  80          3HD2      LEU  80   9.829   8.107 -12.163
  642   HD22  LEU  80          1HD2      LEU  80  11.098   7.448 -11.113
  643   HD23  LEU  80          2HD2      LEU  80  10.765   6.693 -12.691
  644    H    ILE  81           H        ILE  81  15.369   9.516 -11.024
  645    HA   ILE  81           HA       ILE  81  14.142  12.050 -10.629
  646    HB   ILE  81           HB       ILE  81  16.901  11.325  -9.602
  647   HG12  ILE  81          1HG1      ILE  81  15.685   9.466  -8.984
  648   HG13  ILE  81          2HG1      ILE  81  15.802  10.445  -7.584
  649   HG21  ILE  81          1HG2      ILE  81  14.709  13.161  -8.561
  650   HG22  ILE  81          2HG2      ILE  81  16.214  12.777  -7.696
  651   HG23  ILE  81          3HG2      ILE  81  16.279  13.647  -9.233
  652   HD11  ILE  81          3HD1      ILE  81  13.312  10.154  -9.312
  653   HD12  ILE  81          1HD1      ILE  81  13.571   9.497  -7.687
  654   HD13  ILE  81          2HD1      ILE  81  13.452  11.252  -7.918
  655    H    LYS  82           H        LYS  82  17.349  11.270 -12.016
  656    HA   LYS  82           HA       LYS  82  18.117  13.927 -12.651
  657    HB2  LYS  82           1HB      LYS  82  19.584  11.903 -12.633
  658    HB3  LYS  82           2HB      LYS  82  18.833  11.354 -14.139
  659    HG2  LYS  82           1HG      LYS  82  19.621  13.413 -15.283
  660    HG3  LYS  82           2HG      LYS  82  20.375  13.968 -13.782
  661    HD2  LYS  82           1HD      LYS  82  21.101  11.415 -15.294
  662    HD3  LYS  82           2HD      LYS  82  21.970  12.952 -15.403
  663    HE2  LYS  82           1HE      LYS  82  22.451  12.849 -12.957
  664    HE3  LYS  82           2HE      LYS  82  21.642  11.279 -12.871
  665    HZ1  LYS  82           3HZ      LYS  82  23.304  10.410 -14.429
  666    HZ2  LYS  82           1HZ      LYS  82  24.043  11.022 -13.109
  667    HZ3  LYS  82           2HZ      LYS  82  24.054  11.861 -14.508
  668    H    HIS  83           H        HIS  83  16.238  11.615 -14.652
  669    HA   HIS  83           HA       HIS  83  15.791  13.343 -16.897
  670    HB2  HIS  83           1HB      HIS  83  15.312  11.026 -17.102
  671    HB3  HIS  83           2HB      HIS  83  14.281  11.008 -15.683
  672    HD1  HIS  83           1HD      HIS  83  14.162  12.208 -19.335
  673    HD2  HIS  83           2HD      HIS  83  11.733  11.551 -15.971
  674    HE1  HIS  83           1HE      HIS  83  11.778  12.461 -20.157
  675    H    ILE  84           H        ILE  84  13.835  13.026 -13.876
  676    HA   ILE  84           HA       ILE  84  11.921  15.026 -14.665
  677    HB   ILE  84           HB       ILE  84  12.768  13.902 -11.991
  678   HG12  ILE  84          1HG1      ILE  84  10.129  13.565 -13.481
  679   HG13  ILE  84          2HG1      ILE  84  11.506  12.511 -13.778
  680   HG21  ILE  84          1HG2      ILE  84  11.920  16.170 -11.525
  681   HG22  ILE  84          2HG2      ILE  84  10.488  15.868 -12.529
  682   HG23  ILE  84          3HG2      ILE  84  10.734  14.982 -11.011
  683   HD11  ILE  84          3HD1      ILE  84  10.080  12.824 -11.122
  684   HD12  ILE  84          1HD1      ILE  84  10.078  11.420 -12.206
  685   HD13  ILE  84          2HD1      ILE  84  11.580  11.900 -11.376
  686    H    ARG  85           H        ARG  85  14.937  15.302 -12.778
  687    HA   ARG  85           HA       ARG  85  14.854  18.152 -12.405
  688    HB2  ARG  85           1HB      ARG  85  17.171  16.174 -12.498
  689    HB3  ARG  85           2HB      ARG  85  17.361  17.881 -12.090
  690    HG2  ARG  85           1HG      ARG  85  15.784  17.639 -10.208
  691    HG3  ARG  85           2HG      ARG  85  15.567  15.933 -10.579
  692    HD2  ARG  85           1HD      ARG  85  17.116  16.085  -8.763
  693    HD3  ARG  85           2HD      ARG  85  17.999  15.545 -10.203
  694    HE   ARG  85           HE       ARG  85  18.128  18.416  -9.947
  695   HH11  ARG  85          2HH1      ARG  85  19.525  15.570  -8.458
  696   HH12  ARG  85          1HH1      ARG  85  20.966  16.421  -7.972
  697   HH21  ARG  85          2HH2      ARG  85  19.993  19.438  -9.306
  698   HH22  ARG  85          1HH2      ARG  85  21.214  18.555  -8.438
  699    H    ASP  86           H        ASP  86  15.762  16.360 -15.244
  700    HA   ASP  86           HA       ASP  86  16.981  18.751 -16.526
  701    HB2  ASP  86           1HB      ASP  86  16.736  15.842 -17.351
  702    HB3  ASP  86           2HB      ASP  86  17.329  17.098 -18.427
  703    H    ALA  87           H        ALA  87  14.144  16.621 -17.071
  704    HA   ALA  87           HA       ALA  87  13.300  18.316 -19.356
  705    HB1  ALA  87           1HB      ALA  87  11.945  16.377 -19.953
  706    HB2  ALA  87           2HB      ALA  87  13.624  15.884 -19.661
  707    HB3  ALA  87           3HB      ALA  87  12.373  15.567 -18.436
  708    H    HIS  88           H        HIS  88  12.240  17.541 -16.084
  709    HA   HIS  88           HA       HIS  88   9.677  19.015 -16.516
  710    HB2  HIS  88           1HB      HIS  88  10.129  16.604 -14.742
  711    HB3  HIS  88           2HB      HIS  88   8.609  17.402 -15.100
  712    HD1  HIS  88           1HD      HIS  88   8.266  17.341 -18.112
  713    HD2  HIS  88           2HD      HIS  88  10.287  14.370 -15.943
  714    HE1  HIS  88           1HE      HIS  88   8.175  15.244 -19.557
  715    H    ASP  89           H        ASP  89  12.275  20.006 -15.442
  716    HA   ASP  89           HA       ASP  89  12.531  20.095 -12.777
  717    HB2  ASP  89           1HB      ASP  89  13.920  22.019 -13.021
  718    HB3  ASP  89           2HB      ASP  89  14.165  20.906 -14.359
  719    HA   PRO  90           HA       PRO  90   9.209  22.429 -10.872
  720    HB2  PRO  90           1HB      PRO  90  11.435  23.187  -8.967
  721    HB3  PRO  90           2HB      PRO  90   9.759  22.675  -8.591
  722    HG2  PRO  90           1HG      PRO  90  11.812  20.912  -8.401
  723    HG3  PRO  90           2HG      PRO  90  10.254  20.407  -9.134
  724    HD2  PRO  90           1HD      PRO  90  12.833  21.137 -10.547
  725    HD3  PRO  90           2HD      PRO  90  11.628  19.871 -10.904
  726    H    GLN  91           H        GLN  91   8.396  24.487 -10.849
  727    HA   GLN  91           HA       GLN  91   9.963  26.604 -12.163
  728    HB2  GLN  91           1HB      GLN  91   7.028  26.420 -11.388
  729    HB3  GLN  91           2HB      GLN  91   7.767  27.758 -12.280
  730    HG2  GLN  91           1HG      GLN  91   8.449  26.187 -14.085
  731    HG3  GLN  91           2HG      GLN  91   7.651  24.863 -13.235
  732   HE21  GLN  91          1HE2      GLN  91   6.734  25.065 -15.685
  733   HE22  GLN  91          2HE2      GLN  91   5.198  25.922 -15.748
  734    H    ASP  92           H        ASP  92   9.443  25.790  -8.947
  735    HA   ASP  92           HA       ASP  92  10.305  28.438  -7.963
  736    HB2  ASP  92           1HB      ASP  92   8.615  28.656  -6.333
  737    HB3  ASP  92           2HB      ASP  92   7.800  28.414  -7.864
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1 -31.921  19.692  -0.936
    2    H2   GLY   1           2H       GLY   1 -31.969  18.192  -1.597
    3    H3   GLY   1           3H       GLY   1 -30.548  18.811  -1.059
    4    HA2  GLY   1           1HA      GLY   1 -32.867  18.122   0.628
    5    HA3  GLY   1           2HA      GLY   1 -31.373  17.176   0.500
    6    H    SER   2           H        SER   2 -31.557  17.560   2.917
    7    HA   SER   2           HA       SER   2 -31.071  20.130   4.069
    8    HB2  SER   2           1HB      SER   2 -30.513  17.373   5.224
    9    HB3  SER   2           2HB      SER   2 -30.639  18.891   6.134
   10    HG   SER   2           HG       SER   2 -32.609  17.697   6.153
   11    H    SER   3           H        SER   3 -29.242  21.008   5.075
   12    HA   SER   3           HA       SER   3 -26.726  20.714   3.749
   13    HB2  SER   3           1HB      SER   3 -27.359  22.077   6.394
   14    HB3  SER   3           2HB      SER   3 -25.908  22.323   5.406
   15    HG   SER   3           HG       SER   3 -27.504  23.941   5.032
   16    H    GLY   4           H        GLY   4 -24.686  20.065   4.561
   17    HA2  GLY   4           1HA      GLY   4 -24.601  17.639   6.121
   18    HA3  GLY   4           2HA      GLY   4 -23.218  18.563   5.543
   19    H    SER   5           H        SER   5 -23.404  17.263   8.070
   20    HA   SER   5           HA       SER   5 -23.934  19.248  10.152
   21    HB2  SER   5           1HB      SER   5 -24.364  16.792  10.395
   22    HB3  SER   5           2HB      SER   5 -22.607  16.537  10.444
   23    HG   SER   5           HG       SER   5 -23.631  16.784  12.542
   24    H    SER   6           H        SER   6 -22.444  20.156  11.583
   25    HA   SER   6           HA       SER   6 -19.859  20.874  10.378
   26    HB2  SER   6           1HB      SER   6 -21.219  21.869  12.905
   27    HB3  SER   6           2HB      SER   6 -19.744  22.537  12.183
   28    HG   SER   6           HG       SER   6 -21.630  23.699  11.553
   29    H    GLY   7           H        GLY   7 -17.832  20.726  11.369
   30    HA2  GLY   7           1HA      GLY   7 -16.140  19.888  12.702
   31    HA3  GLY   7           2HA      GLY   7 -17.339  19.574  13.951
   32    H    LYS   8           H        LYS   8 -16.296  17.655  14.497
   33    HA   LYS   8           HA       LYS   8 -16.358  15.337  12.664
   34    HB2  LYS   8           1HB      LYS   8 -14.671  15.984  15.093
   35    HB3  LYS   8           2HB      LYS   8 -14.580  14.471  14.196
   36    HG2  LYS   8           1HG      LYS   8 -13.830  15.640  12.178
   37    HG3  LYS   8           2HG      LYS   8 -14.039  17.204  12.964
   38    HD2  LYS   8           1HD      LYS   8 -12.302  16.601  14.637
   39    HD3  LYS   8           2HD      LYS   8 -12.100  15.019  13.857
   40    HE2  LYS   8           1HE      LYS   8 -11.434  16.152  11.743
   41    HE3  LYS   8           2HE      LYS   8 -11.635  17.727  12.524
   42    HZ1  LYS   8           3HZ      LYS   8  -9.864  17.107  14.083
   43    HZ2  LYS   8           1HZ      LYS   8  -9.312  17.014  12.551
   44    HZ3  LYS   8           2HZ      LYS   8  -9.680  15.648  13.365
   45    HA   PRO   9           HA       PRO   9 -19.643  14.562  15.901
   46    HB2  PRO   9           1HB      PRO   9 -21.571  13.549  14.198
   47    HB3  PRO   9           2HB      PRO   9 -21.296  15.275  14.531
   48    HG2  PRO   9           1HG      PRO   9 -20.324  13.735  12.165
   49    HG3  PRO   9           2HG      PRO   9 -21.127  15.330  12.202
   50    HD2  PRO   9           1HD      PRO   9 -18.412  15.077  12.091
   51    HD3  PRO   9           2HD      PRO   9 -19.184  16.395  12.980
   52    H    TYR  10           H        TYR  10 -18.412  12.420  13.338
   53    HA   TYR  10           HA       TYR  10 -19.495  10.035  14.594
   54    HB2  TYR  10           1HB      TYR  10 -17.533  10.372  12.300
   55    HB3  TYR  10           2HB      TYR  10 -18.268   8.862  12.793
   56    HD1  TYR  10           1HD      TYR  10 -18.943  12.189  11.284
   57    HD2  TYR  10           2HD      TYR  10 -20.597   8.341  12.309
   58    HE1  TYR  10           1HE      TYR  10 -20.881  12.642   9.817
   59    HE2  TYR  10           2HE      TYR  10 -22.567   8.805  10.861
   60    HH   TYR  10           HH       TYR  10 -23.579  10.295   9.434
   61    H    LYS  11           H        LYS  11 -18.671   9.382  16.492
   62    HA   LYS  11           HA       LYS  11 -15.777   9.696  17.126
   63    HB2  LYS  11           1HB      LYS  11 -17.993   8.839  19.012
   64    HB3  LYS  11           2HB      LYS  11 -16.388   9.425  19.422
   65    HG2  LYS  11           1HG      LYS  11 -18.714  11.034  18.312
   66    HG3  LYS  11           2HG      LYS  11 -18.039  11.092  19.934
   67    HD2  LYS  11           1HD      LYS  11 -15.911  12.020  19.028
   68    HD3  LYS  11           2HD      LYS  11 -16.585  11.935  17.393
   69    HE2  LYS  11           1HE      LYS  11 -16.800  14.191  18.088
   70    HE3  LYS  11           2HE      LYS  11 -18.414  13.482  18.061
   71    HZ1  LYS  11           3HZ      LYS  11 -18.027  14.809  20.072
   72    HZ2  LYS  11           1HZ      LYS  11 -16.768  13.873  20.511
   73    HZ3  LYS  11           2HZ      LYS  11 -18.284  13.256  20.490
   74    H    CYS  12           H        CYS  12 -14.477   8.032  17.921
   75    HA   CYS  12           HA       CYS  12 -15.126   5.319  17.112
   76    HB2  CYS  12           1HB      CYS  12 -12.935   6.250  16.827
   77    HB3  CYS  12           2HB      CYS  12 -12.773   6.526  18.569
   78    HA   PRO  13           HA       PRO  13 -16.801   4.336  21.227
   79    HB2  PRO  13           1HB      PRO  13 -17.403   1.709  20.811
   80    HB3  PRO  13           2HB      PRO  13 -18.332   3.042  20.062
   81    HG2  PRO  13           1HG      PRO  13 -16.184   1.319  18.827
   82    HG3  PRO  13           2HG      PRO  13 -17.732   1.849  18.114
   83    HD2  PRO  13           1HD      PRO  13 -15.264   3.112  17.695
   84    HD3  PRO  13           2HD      PRO  13 -16.850   3.916  17.515
   85    H    GLN  14           H        GLN  14 -13.853   3.363  19.833
   86    HA   GLN  14           HA       GLN  14 -13.060   1.650  22.147
   87    HB2  GLN  14           1HB      GLN  14 -11.738   1.740  19.426
   88    HB3  GLN  14           2HB      GLN  14 -11.574   0.533  20.699
   89    HG2  GLN  14           1HG      GLN  14 -14.108   0.111  20.369
   90    HG3  GLN  14           2HG      GLN  14 -13.959   1.073  18.894
   91   HE21  GLN  14          1HE2      GLN  14 -12.590  -1.903  20.450
   92   HE22  GLN  14          2HE2      GLN  14 -12.321  -2.688  18.899
   93    H    CYS  15           H        CYS  15 -12.138   4.568  20.342
   94    HA   CYS  15           HA       CYS  15 -10.300   5.239  22.565
   95    HB2  CYS  15           1HB      CYS  15  -8.432   5.769  21.162
   96    HB3  CYS  15           2HB      CYS  15  -8.901   4.097  20.885
   97    H    SER  16           H        SER  16  -9.247   7.579  21.736
   98    HA   SER  16           HA       SER  16 -11.498   9.390  22.068
   99    HB2  SER  16           1HB      SER  16  -9.722  11.108  22.282
  100    HB3  SER  16           2HB      SER  16  -9.498   9.722  23.359
  101    HG   SER  16           HG       SER  16  -7.547  10.331  22.291
  102    H    TYR  17           H        TYR  17 -10.381   8.049  19.274
  103    HA   TYR  17           HA       TYR  17 -10.020  10.186  17.465
  104    HB2  TYR  17           1HB      TYR  17  -9.399   7.896  17.002
  105    HB3  TYR  17           2HB      TYR  17 -11.059   7.363  17.110
  106    HD1  TYR  17           1HD      TYR  17  -8.595   9.308  15.105
  107    HD2  TYR  17           2HD      TYR  17 -12.567   7.614  15.168
  108    HE1  TYR  17           1HE      TYR  17  -8.763   9.575  12.629
  109    HE2  TYR  17           2HE      TYR  17 -12.711   7.854  12.700
  110    HH   TYR  17           HH       TYR  17 -11.532   8.292  10.786
  111    H    ALA  18           H        ALA  18 -11.281  11.209  15.976
  112    HA   ALA  18           HA       ALA  18 -14.146  10.715  15.767
  113    HB1  ALA  18           1HB      ALA  18 -13.967  12.372  17.630
  114    HB2  ALA  18           2HB      ALA  18 -13.080  13.468  16.551
  115    HB3  ALA  18           3HB      ALA  18 -14.770  13.051  16.201
  116    H    SER  19           H        SER  19 -15.050  11.521  13.790
  117    HA   SER  19           HA       SER  19 -13.366  13.226  12.062
  118    HB2  SER  19           1HB      SER  19 -12.802  10.826  11.496
  119    HB3  SER  19           2HB      SER  19 -14.478  10.633  10.947
  120    HG   SER  19           HG       SER  19 -12.478  12.430   9.977
  121    H    ALA  20           H        ALA  20 -14.490  14.485  10.600
  122    HA   ALA  20           HA       ALA  20 -17.226  14.963  10.633
  123    HB1  ALA  20           1HB      ALA  20 -15.263  15.429   8.382
  124    HB2  ALA  20           2HB      ALA  20 -16.801  16.284   8.677
  125    HB3  ALA  20           3HB      ALA  20 -15.467  16.463   9.822
  126    H    ILE  21           H        ILE  21 -15.799  12.187   9.186
  127    HA   ILE  21           HA       ILE  21 -18.151  11.800   7.361
  128    HB   ILE  21           HB       ILE  21 -15.244  11.088   6.885
  129   HG12  ILE  21          1HG1      ILE  21 -16.985  13.286   5.673
  130   HG13  ILE  21          2HG1      ILE  21 -15.578  13.512   6.712
  131   HG21  ILE  21          1HG2      ILE  21 -16.774   9.481   5.814
  132   HG22  ILE  21          2HG2      ILE  21 -17.630  10.815   5.008
  133   HG23  ILE  21          3HG2      ILE  21 -15.935  10.430   4.624
  134   HD11  ILE  21          3HD1      ILE  21 -14.139  12.474   4.929
  135   HD12  ILE  21          1HD1      ILE  21 -15.556  12.527   3.850
  136   HD13  ILE  21          2HD1      ILE  21 -14.890  14.024   4.508
  137    H    LYS  22           H        LYS  22 -19.223   9.915   7.465
  138    HA   LYS  22           HA       LYS  22 -18.799   7.999   9.523
  139    HB2  LYS  22           1HB      LYS  22 -20.980   8.435   8.439
  140    HB3  LYS  22           2HB      LYS  22 -20.377   7.787   6.919
  141    HG2  LYS  22           1HG      LYS  22 -21.800   6.170   7.997
  142    HG3  LYS  22           2HG      LYS  22 -20.158   5.538   7.935
  143    HD2  LYS  22           1HD      LYS  22 -19.831   6.197  10.330
  144    HD3  LYS  22           2HD      LYS  22 -21.492   6.789  10.382
  145    HE2  LYS  22           1HE      LYS  22 -20.628   3.918   9.847
  146    HE3  LYS  22           2HE      LYS  22 -21.190   4.559  11.396
  147    HZ1  LYS  22           3HZ      LYS  22 -23.340   5.043  10.353
  148    HZ2  LYS  22           1HZ      LYS  22 -22.991   3.455  10.237
  149    HZ3  LYS  22           2HZ      LYS  22 -22.838   4.413   8.929
  150    H    ALA  23           H        ALA  23 -17.915   7.805   6.060
  151    HA   ALA  23           HA       ALA  23 -16.778   5.218   6.083
  152    HB1  ALA  23           1HB      ALA  23 -17.300   6.518   4.048
  153    HB2  ALA  23           2HB      ALA  23 -15.967   7.640   4.418
  154    HB3  ALA  23           3HB      ALA  23 -15.625   5.940   4.047
  155    H    ASN  24           H        ASN  24 -15.295   8.321   7.085
  156    HA   ASN  24           HA       ASN  24 -12.649   7.197   7.504
  157    HB2  ASN  24           1HB      ASN  24 -14.029   9.726   8.520
  158    HB3  ASN  24           2HB      ASN  24 -12.363   9.329   8.872
  159   HD21  ASN  24          1HD2      ASN  24 -12.683  11.653   7.822
  160   HD22  ASN  24          2HD2      ASN  24 -12.156  11.673   6.135
  161    H    LEU  25           H        LEU  25 -15.574   7.319   9.528
  162    HA   LEU  25           HA       LEU  25 -14.135   6.301  11.869
  163    HB2  LEU  25           1HB      LEU  25 -16.173   7.568  12.205
  164    HB3  LEU  25           2HB      LEU  25 -17.099   6.426  11.225
  165    HG   LEU  25           HG       LEU  25 -16.686   4.629  12.868
  166   HD11  LEU  25          1HD1      LEU  25 -15.751   5.155  15.081
  167   HD12  LEU  25          2HD1      LEU  25 -15.285   6.779  14.522
  168   HD13  LEU  25          3HD1      LEU  25 -14.521   5.326  13.836
  169   HD21  LEU  25          3HD2      LEU  25 -17.751   7.131  14.213
  170   HD22  LEU  25          1HD2      LEU  25 -18.126   5.451  14.624
  171   HD23  LEU  25          2HD2      LEU  25 -18.671   6.114  13.073
  172    H    ASN  26           H        ASN  26 -16.192   4.800   9.306
  173    HA   ASN  26           HA       ASN  26 -16.028   2.119  10.148
  174    HB2  ASN  26           1HB      ASN  26 -15.816   3.148   7.275
  175    HB3  ASN  26           2HB      ASN  26 -16.258   1.518   7.747
  176   HD21  ASN  26          1HD2      ASN  26 -17.681   3.073   6.034
  177   HD22  ASN  26          2HD2      ASN  26 -19.272   3.365   6.749
  178    H    VAL  27           H        VAL  27 -13.703   3.909   8.082
  179    HA   VAL  27           HA       VAL  27 -11.968   1.694   7.681
  180    HB   VAL  27           HB       VAL  27 -12.241   4.032   6.465
  181   HG11  VAL  27          1HG1      VAL  27 -11.241   5.441   8.194
  182   HG12  VAL  27          2HG1      VAL  27  -9.689   4.593   7.976
  183   HG13  VAL  27          3HG1      VAL  27 -10.407   5.522   6.643
  184   HG21  VAL  27          3HG2      VAL  27  -9.711   2.386   6.632
  185   HG22  VAL  27          1HG2      VAL  27 -11.138   2.071   5.604
  186   HG23  VAL  27          2HG2      VAL  27 -10.126   3.493   5.291
  187    H    HIS  28           H        HIS  28 -11.982   4.223  10.072
  188    HA   HIS  28           HA       HIS  28  -9.449   3.783  11.228
  189    HB2  HIS  28           1HB      HIS  28 -10.680   5.798  11.556
  190    HB3  HIS  28           2HB      HIS  28 -12.050   4.959  12.269
  191    HD1  HIS  28           1HD      HIS  28  -8.524   6.049  13.311
  192    HD2  HIS  28           2HD      HIS  28 -12.006   4.232  14.802
  193    HE1  HIS  28           1HE      HIS  28  -8.140   5.749  15.805
  194    H    LEU  29           H        LEU  29 -12.611   2.300  12.040
  195    HA   LEU  29           HA       LEU  29 -11.833   0.987  14.434
  196    HB2  LEU  29           1HB      LEU  29 -13.858   0.163  12.318
  197    HB3  LEU  29           2HB      LEU  29 -13.773  -0.547  13.925
  198    HG   LEU  29           HG       LEU  29 -14.265   2.426  13.530
  199   HD11  LEU  29          1HD1      LEU  29 -16.332   0.208  13.797
  200   HD12  LEU  29          2HD1      LEU  29 -16.020   1.163  12.331
  201   HD13  LEU  29          3HD1      LEU  29 -16.661   1.956  13.777
  202   HD21  LEU  29          3HD2      LEU  29 -13.605   1.792  15.795
  203   HD22  LEU  29          1HD2      LEU  29 -14.875   0.547  15.833
  204   HD23  LEU  29          2HD2      LEU  29 -15.307   2.265  15.722
  205    H    ARG  30           H        ARG  30 -11.116   0.132  11.132
  206    HA   ARG  30           HA       ARG  30 -10.582  -2.635  11.351
  207    HB2  ARG  30           1HB      ARG  30  -9.156  -0.551   9.633
  208    HB3  ARG  30           2HB      ARG  30  -9.111  -2.288   9.370
  209    HG2  ARG  30           1HG      ARG  30 -11.551  -2.341   8.984
  210    HG3  ARG  30           2HG      ARG  30 -11.642  -0.589   9.253
  211    HD2  ARG  30           1HD      ARG  30 -10.110  -0.211   7.346
  212    HD3  ARG  30           2HD      ARG  30 -10.052  -1.964   7.053
  213    HE   ARG  30           HE       ARG  30 -12.779  -1.164   7.090
  214   HH11  ARG  30          2HH1      ARG  30 -10.001  -0.717   5.001
  215   HH12  ARG  30          1HH1      ARG  30 -10.987  -0.532   3.577
  216   HH21  ARG  30          2HH2      ARG  30 -13.977  -0.924   5.232
  217   HH22  ARG  30          1HH2      ARG  30 -13.178  -0.640   3.714
  218    H    LYS  31           H        LYS  31  -8.581   0.077  12.452
  219    HA   LYS  31           HA       LYS  31  -6.220  -1.591  12.804
  220    HB2  LYS  31           1HB      LYS  31  -5.116   0.313  13.508
  221    HB3  LYS  31           2HB      LYS  31  -6.354   0.936  12.408
  222    HG2  LYS  31           1HG      LYS  31  -7.747   1.490  14.474
  223    HG3  LYS  31           2HG      LYS  31  -6.383   0.994  15.461
  224    HD2  LYS  31           1HD      LYS  31  -6.482   3.413  15.220
  225    HD3  LYS  31           2HD      LYS  31  -4.981   2.773  14.565
  226    HE2  LYS  31           1HE      LYS  31  -7.259   3.091  12.630
  227    HE3  LYS  31           2HE      LYS  31  -6.620   4.586  13.314
  228    HZ1  LYS  31           3HZ      LYS  31  -5.454   3.977  11.262
  229    HZ2  LYS  31           1HZ      LYS  31  -4.904   2.581  11.907
  230    HZ3  LYS  31           2HZ      LYS  31  -4.422   4.010  12.521
  231    H    HIS  32           H        HIS  32  -8.948  -0.969  14.778
  232    HA   HIS  32           HA       HIS  32  -7.745  -1.973  17.256
  233    HB2  HIS  32           1HB      HIS  32 -10.623  -1.362  16.510
  234    HB3  HIS  32           2HB      HIS  32 -10.038  -1.729  18.131
  235    HD1  HIS  32           1HD      HIS  32  -7.656   0.177  18.541
  236    HD2  HIS  32           2HD      HIS  32 -11.226   1.167  16.561
  237    HE1  HIS  32           1HE      HIS  32  -7.852   2.697  18.703
  238    H    THR  33           H        THR  33  -8.840  -3.520  14.440
  239    HA   THR  33           HA       THR  33  -9.350  -6.093  15.895
  240    HB   THR  33           HB       THR  33 -10.705  -6.826  14.081
  241    HG1  THR  33           1HG      THR  33 -11.122  -5.532  12.302
  242   HG21  THR  33          3HG2      THR  33 -11.701  -5.237  15.772
  243   HG22  THR  33          1HG2      THR  33 -12.546  -5.266  14.201
  244   HG23  THR  33          2HG2      THR  33 -11.438  -3.926  14.595
  245    H    GLY  34           H        GLY  34  -7.965  -4.760  12.889
  246    HA2  GLY  34           1HA      GLY  34  -5.430  -5.776  13.345
  247    HA3  GLY  34           2HA      GLY  34  -6.234  -6.946  12.274
  248    H    GLU  35           H        GLU  35  -4.405  -4.093  12.343
  249    HA   GLU  35           HA       GLU  35  -5.593  -2.590  10.233
  250    HB2  GLU  35           1HB      GLU  35  -4.112  -1.678  11.983
  251    HB3  GLU  35           2HB      GLU  35  -2.732  -2.458  11.212
  252    HG2  GLU  35           1HG      GLU  35  -2.920  -1.067   9.264
  253    HG3  GLU  35           2HG      GLU  35  -4.563  -0.577   9.677
  254    H    LYS  36           H        LYS  36  -5.357  -2.430   8.091
  255    HA   LYS  36           HA       LYS  36  -3.946  -4.650   6.725
  256    HB2  LYS  36           1HB      LYS  36  -5.981  -2.633   5.718
  257    HB3  LYS  36           2HB      LYS  36  -5.088  -3.762   4.686
  258    HG2  LYS  36           1HG      LYS  36  -5.925  -5.645   6.203
  259    HG3  LYS  36           2HG      LYS  36  -7.038  -4.468   6.918
  260    HD2  LYS  36           1HD      LYS  36  -8.066  -4.066   4.717
  261    HD3  LYS  36           2HD      LYS  36  -6.860  -5.119   3.939
  262    HE2  LYS  36           1HE      LYS  36  -7.659  -7.044   5.260
  263    HE3  LYS  36           2HE      LYS  36  -8.866  -6.020   6.052
  264    HZ1  LYS  36           3HZ      LYS  36  -8.770  -6.606   3.138
  265    HZ2  LYS  36           1HZ      LYS  36  -9.888  -5.658   3.862
  266    HZ3  LYS  36           2HZ      LYS  36  -9.831  -7.253   4.193
  267    H    PHE  37           H        PHE  37  -1.980  -4.405   6.418
  268    HA   PHE  37           HA       PHE  37  -0.657  -1.878   5.650
  269    HB2  PHE  37           1HB      PHE  37   0.453  -4.680   6.118
  270    HB3  PHE  37           2HB      PHE  37   1.392  -3.208   5.922
  271    HD1  PHE  37           2HD      PHE  37   1.365  -1.413   7.665
  272    HD2  PHE  37           1HD      PHE  37  -0.626  -5.183   8.228
  273    HE1  PHE  37           2HE      PHE  37   1.087  -0.911  10.067
  274    HE2  PHE  37           1HE      PHE  37  -0.917  -4.681  10.635
  275    HZ   PHE  37           HZ       PHE  37  -0.172  -2.499  11.543
  276    H    ALA  38           H        ALA  38  -0.988  -1.307   3.579
  277    HA   ALA  38           HA       ALA  38  -1.308  -3.357   1.472
  278    HB1  ALA  38           1HB      ALA  38  -2.289  -1.537   0.178
  279    HB2  ALA  38           2HB      ALA  38  -3.053  -1.602   1.782
  280    HB3  ALA  38           3HB      ALA  38  -1.832  -0.359   1.421
  281    H    CYS  39           H        CYS  39  -0.113  -3.503  -0.411
  282    HA   CYS  39           HA       CYS  39   2.567  -2.417  -0.434
  283    HB2  CYS  39           1HB      CYS  39   1.901  -4.592  -1.219
  284    HB3  CYS  39           2HB      CYS  39   0.874  -3.879  -2.463
  285    H    ASP  40           H        ASP  40   3.431  -0.817  -1.538
  286    HA   ASP  40           HA       ASP  40   1.681   1.288  -2.642
  287    HB2  ASP  40           1HB      ASP  40   3.595   1.753  -1.063
  288    HB3  ASP  40           2HB      ASP  40   4.705   1.243  -2.333
  289    H    TYR  41           H        TYR  41   3.044  -1.515  -3.829
  290    HA   TYR  41           HA       TYR  41   3.607  -0.410  -6.561
  291    HB2  TYR  41           1HB      TYR  41   4.827  -2.802  -5.140
  292    HB3  TYR  41           2HB      TYR  41   5.160  -2.281  -6.772
  293    HD1  TYR  41           2HD      TYR  41   5.549  -1.587  -3.192
  294    HD2  TYR  41           1HD      TYR  41   6.611  -0.300  -7.160
  295    HE1  TYR  41           2HE      TYR  41   7.374  -0.146  -2.240
  296    HE2  TYR  41           1HE      TYR  41   8.434   1.125  -6.222
  297    HH   TYR  41           HH       TYR  41   9.483   1.863  -4.327
  298    H    CYS  42           H        CYS  42   1.860  -2.889  -4.761
  299    HA   CYS  42           HA       CYS  42   0.262  -3.352  -7.207
  300    HB2  CYS  42           1HB      CYS  42   0.203  -5.765  -6.988
  301    HB3  CYS  42           2HB      CYS  42   1.851  -5.196  -7.275
  302    H    SER  43           H        SER  43  -1.621  -4.996  -6.523
  303    HA   SER  43           HA       SER  43  -3.255  -3.612  -4.578
  304    HB2  SER  43           1HB      SER  43  -3.783  -6.226  -6.036
  305    HB3  SER  43           2HB      SER  43  -4.983  -5.209  -5.216
  306    HG   SER  43           HG       SER  43  -4.934  -4.835  -7.483
  307    H    PHE  44           H        PHE  44  -0.787  -5.671  -3.868
  308    HA   PHE  44           HA       PHE  44  -1.884  -7.638  -2.184
  309    HB2  PHE  44           1HB      PHE  44   0.341  -7.754  -2.930
  310    HB3  PHE  44           2HB      PHE  44   0.787  -6.240  -2.187
  311    HD1  PHE  44           1HD      PHE  44   1.183  -6.078   0.266
  312    HD2  PHE  44           2HD      PHE  44   0.314  -9.841  -1.655
  313    HE1  PHE  44           1HE      PHE  44   2.078  -7.288   2.234
  314    HE2  PHE  44           2HE      PHE  44   1.219 -11.048   0.318
  315    HZ   PHE  44           HZ       PHE  44   2.120  -9.774   2.255
  316    H    THR  45           H        THR  45  -2.225  -7.807  -0.040
  317    HA   THR  45           HA       THR  45  -1.725  -5.603   1.817
  318    HB   THR  45           HB       THR  45  -3.958  -5.856   2.866
  319    HG1  THR  45           1HG      THR  45  -4.616  -7.796   1.808
  320   HG21  THR  45          3HG2      THR  45  -5.150  -4.382   1.333
  321   HG22  THR  45          1HG2      THR  45  -3.991  -4.778   0.036
  322   HG23  THR  45          2HG2      THR  45  -3.443  -3.940   1.512
  323    H    CYS  46           H        CYS  46  -1.536  -6.191   3.933
  324    HA   CYS  46           HA       CYS  46  -1.970  -9.009   4.751
  325    HB2  CYS  46           1HB      CYS  46   0.380  -8.757   3.817
  326    HB3  CYS  46           2HB      CYS  46   0.726  -7.623   5.132
  327    HG   CYS  46           HG       CYS  46  -0.374 -10.770   5.328
  328    H    LEU  47           H        LEU  47  -1.734  -9.285   7.126
  329    HA   LEU  47           HA       LEU  47  -2.499  -6.865   8.666
  330    HB2  LEU  47           1HB      LEU  47  -3.092  -9.772   8.919
  331    HB3  LEU  47           2HB      LEU  47  -2.805  -8.921  10.426
  332    HG   LEU  47           HG       LEU  47  -4.517  -7.242   9.882
  333   HD11  LEU  47          1HD1      LEU  47  -4.522  -7.291   7.429
  334   HD12  LEU  47          2HD1      LEU  47  -6.131  -7.674   8.044
  335   HD13  LEU  47          3HD1      LEU  47  -5.083  -8.979   7.437
  336   HD21  LEU  47          3HD2      LEU  47  -5.502 -10.116   9.681
  337   HD22  LEU  47          1HD2      LEU  47  -6.459  -8.709  10.199
  338   HD23  LEU  47          2HD2      LEU  47  -5.092  -9.256  11.182
  339    H    SER  48           H        SER  48   0.335  -7.868   7.751
  340    HA   SER  48           HA       SER  48   1.636  -6.930  10.267
  341    HB2  SER  48           1HB      SER  48   2.056  -9.291  10.232
  342    HB3  SER  48           2HB      SER  48   2.541  -9.244   8.526
  343    HG   SER  48           HG       SER  48   4.257  -9.198  10.242
  344    H    LYS  49           H        LYS  49   2.667  -5.180  10.000
  345    HA   LYS  49           HA       LYS  49   3.500  -3.934   7.565
  346    HB2  LYS  49           1HB      LYS  49   5.118  -2.736   9.273
  347    HB3  LYS  49           2HB      LYS  49   3.411  -2.366   9.172
  348    HG2  LYS  49           1HG      LYS  49   2.948  -3.757  11.149
  349    HG3  LYS  49           2HG      LYS  49   4.666  -4.211  11.248
  350    HD2  LYS  49           1HD      LYS  49   5.293  -1.896  11.693
  351    HD3  LYS  49           2HD      LYS  49   3.631  -1.339  11.382
  352    HE2  LYS  49           1HE      LYS  49   2.798  -2.667  13.275
  353    HE3  LYS  49           2HE      LYS  49   4.428  -3.277  13.598
  354    HZ1  LYS  49           3HZ      LYS  49   5.120  -0.984  14.070
  355    HZ2  LYS  49           1HZ      LYS  49   3.883  -1.402  15.047
  356    HZ3  LYS  49           2HZ      LYS  49   3.613  -0.421  13.774
  357    H    GLY  50           H        GLY  50   5.104  -6.252   9.704
  358    HA2  GLY  50           1HA      GLY  50   7.770  -6.048   8.593
  359    HA3  GLY  50           2HA      GLY  50   7.112  -7.367   9.572
  360    H    HIS  51           H        HIS  51   4.983  -8.274   7.955
  361    HA   HIS  51           HA       HIS  51   6.398  -9.685   5.863
  362    HB2  HIS  51           1HB      HIS  51   4.478 -10.633   7.117
  363    HB3  HIS  51           2HB      HIS  51   3.418  -9.460   6.320
  364    HD1  HIS  51           1HD      HIS  51   2.036 -11.156   4.843
  365    HD2  HIS  51           2HD      HIS  51   6.205 -11.530   4.494
  366    HE1  HIS  51           1HE      HIS  51   2.448 -12.757   2.898
  367    H    LEU  52           H        LEU  52   4.225  -6.813   5.817
  368    HA   LEU  52           HA       LEU  52   4.162  -6.473   2.999
  369    HB2  LEU  52           1HB      LEU  52   2.743  -5.151   4.476
  370    HB3  LEU  52           2HB      LEU  52   4.151  -4.442   5.264
  371    HG   LEU  52           HG       LEU  52   4.805  -3.314   3.150
  372   HD11  LEU  52          1HD1      LEU  52   2.164  -4.408   2.083
  373   HD12  LEU  52          2HD1      LEU  52   3.787  -4.862   1.502
  374   HD13  LEU  52          3HD1      LEU  52   3.225  -3.212   1.305
  375   HD21  LEU  52          3HD2      LEU  52   3.147  -1.608   3.152
  376   HD22  LEU  52          1HD2      LEU  52   3.335  -2.183   4.817
  377   HD23  LEU  52          2HD2      LEU  52   1.934  -2.695   3.840
  378    H    LYS  53           H        LYS  53   6.666  -5.394   5.359
  379    HA   LYS  53           HA       LYS  53   8.371  -4.113   3.430
  380    HB2  LYS  53           1HB      LYS  53   8.722  -3.676   5.730
  381    HB3  LYS  53           2HB      LYS  53   8.863  -5.381   6.149
  382    HG2  LYS  53           1HG      LYS  53  10.980  -5.599   5.007
  383    HG3  LYS  53           2HG      LYS  53  10.879  -3.959   4.361
  384    HD2  LYS  53           1HD      LYS  53  10.965  -4.660   7.333
  385    HD3  LYS  53           2HD      LYS  53  12.397  -4.267   6.362
  386    HE2  LYS  53           1HE      LYS  53  11.417  -2.035   5.830
  387    HE3  LYS  53           2HE      LYS  53  10.024  -2.409   6.854
  388    HZ1  LYS  53           3HZ      LYS  53  11.683  -1.118   8.064
  389    HZ2  LYS  53           1HZ      LYS  53  12.835  -2.241   7.804
  390    HZ3  LYS  53           2HZ      LYS  53  11.550  -2.592   8.750
  391    H    VAL  54           H        VAL  54   8.414  -7.502   4.622
  392    HA   VAL  54           HA       VAL  54  10.525  -8.355   2.906
  393    HB   VAL  54           HB       VAL  54   8.235  -9.942   4.133
  394   HG11  VAL  54          1HG1      VAL  54   9.704 -11.939   3.779
  395   HG12  VAL  54          2HG1      VAL  54   9.119 -11.246   2.267
  396   HG13  VAL  54          3HG1      VAL  54  10.788 -10.936   2.781
  397   HG21  VAL  54          3HG2      VAL  54   9.814  -8.862   5.738
  398   HG22  VAL  54          1HG2      VAL  54   9.948 -10.625   5.753
  399   HG23  VAL  54          2HG2      VAL  54  11.171  -9.645   4.905
  400    H    HIS  55           H        HIS  55   6.991  -8.284   2.305
  401    HA   HIS  55           HA       HIS  55   6.998  -9.488  -0.241
  402    HB2  HIS  55           1HB      HIS  55   4.915  -9.096   0.893
  403    HB3  HIS  55           2HB      HIS  55   5.227  -7.369   1.022
  404    HD1  HIS  55           1HD      HIS  55   4.196  -9.946  -1.638
  405    HD2  HIS  55           2HD      HIS  55   4.534  -5.803  -1.009
  406    HE1  HIS  55           1HE      HIS  55   3.171  -8.850  -3.681
  407    H    ILE  56           H        ILE  56   7.500  -6.007   0.565
  408    HA   ILE  56           HA       ILE  56   7.887  -5.283  -2.224
  409    HB   ILE  56           HB       ILE  56   8.566  -3.860   0.351
  410   HG12  ILE  56          1HG1      ILE  56   6.303  -3.315  -1.618
  411   HG13  ILE  56          2HG1      ILE  56   6.105  -4.319  -0.190
  412   HG21  ILE  56          1HG2      ILE  56  10.009  -3.080  -1.534
  413   HG22  ILE  56          2HG2      ILE  56   8.555  -2.789  -2.510
  414   HG23  ILE  56          3HG2      ILE  56   8.867  -1.833  -1.046
  415   HD11  ILE  56          3HD1      ILE  56   6.711  -2.443   1.279
  416   HD12  ILE  56          1HD1      ILE  56   6.825  -1.374  -0.143
  417   HD13  ILE  56          2HD1      ILE  56   5.277  -2.120   0.287
  418    H    GLU  57           H        GLU  57  10.149  -6.148   0.393
  419    HA   GLU  57           HA       GLU  57  12.576  -5.668  -1.068
  420    HB2  GLU  57           1HB      GLU  57  11.859  -7.439   1.292
  421    HB3  GLU  57           2HB      GLU  57  13.508  -7.280   0.715
  422    HG2  GLU  57           1HG      GLU  57  11.914  -4.799   1.448
  423    HG3  GLU  57           2HG      GLU  57  12.663  -5.815   2.671
  424    H    ARG  58           H        ARG  58  10.347  -8.255  -1.252
  425    HA   ARG  58           HA       ARG  58  12.280  -9.948  -2.814
  426    HB2  ARG  58           1HB      ARG  58  11.145 -11.856  -2.257
  427    HB3  ARG  58           2HB      ARG  58  11.029 -10.871  -0.814
  428    HG2  ARG  58           1HG      ARG  58   8.706 -10.188  -1.594
  429    HG3  ARG  58           2HG      ARG  58   8.857 -11.452  -2.835
  430    HD2  ARG  58           1HD      ARG  58   9.200 -13.127  -1.015
  431    HD3  ARG  58           2HD      ARG  58   8.991 -11.824   0.169
  432    HE   ARG  58           HE       ARG  58   6.835 -12.419  -1.818
  433   HH11  ARG  58          2HH1      ARG  58   7.739 -12.534   1.574
  434   HH12  ARG  58          1HH1      ARG  58   6.063 -12.573   2.088
  435   HH21  ARG  58          2HH2      ARG  58   4.748 -12.675  -1.039
  436   HH22  ARG  58          1HH2      ARG  58   4.483 -12.685   0.684
  437    H    VAL  59           H        VAL  59   9.026  -8.518  -3.172
  438    HA   VAL  59           HA       VAL  59   8.912  -9.603  -5.879
  439    HB   VAL  59           HB       VAL  59   6.818  -7.906  -4.477
  440   HG11  VAL  59          1HG1      VAL  59   5.276  -8.873  -6.150
  441   HG12  VAL  59          2HG1      VAL  59   6.543  -7.935  -6.936
  442   HG13  VAL  59          3HG1      VAL  59   6.637  -9.709  -6.931
  443   HG21  VAL  59          3HG2      VAL  59   7.124 -10.932  -4.687
  444   HG22  VAL  59          1HG2      VAL  59   7.048  -9.943  -3.206
  445   HG23  VAL  59          2HG2      VAL  59   5.620 -10.115  -4.211
  446    H    HIS  60           H        HIS  60   9.014  -6.365  -4.350
  447    HA   HIS  60           HA       HIS  60   9.243  -5.069  -7.011
  448    HB2  HIS  60           1HB      HIS  60   8.396  -3.849  -4.400
  449    HB3  HIS  60           2HB      HIS  60   8.270  -3.140  -6.008
  450    HD1  HIS  60           1HD      HIS  60   6.535  -4.708  -7.726
  451    HD2  HIS  60           2HD      HIS  60   6.308  -5.065  -3.543
  452    HE1  HIS  60           1HE      HIS  60   4.260  -5.740  -7.242
  453    H    LYS  61           H        LYS  61  11.476  -6.260  -5.396
  454    HA   LYS  61           HA       LYS  61  13.269  -3.947  -4.972
  455    HB2  LYS  61           1HB      LYS  61  13.200  -5.726  -3.376
  456    HB3  LYS  61           2HB      LYS  61  13.579  -6.942  -4.578
  457    HG2  LYS  61           1HG      LYS  61  15.511  -4.656  -4.065
  458    HG3  LYS  61           2HG      LYS  61  15.367  -5.925  -2.867
  459    HD2  LYS  61           1HD      LYS  61  16.247  -6.279  -5.752
  460    HD3  LYS  61           2HD      LYS  61  17.244  -6.402  -4.315
  461    HE2  LYS  61           1HE      LYS  61  15.045  -8.307  -5.214
  462    HE3  LYS  61           2HE      LYS  61  16.778  -8.608  -5.183
  463    HZ1  LYS  61           3HZ      LYS  61  15.027  -8.260  -2.794
  464    HZ2  LYS  61           1HZ      LYS  61  16.665  -8.397  -2.719
  465    HZ3  LYS  61           2HZ      LYS  61  15.760  -9.634  -3.276
  466    H    LYS  62           H        LYS  62  15.215  -3.645  -6.167
  467    HA   LYS  62           HA       LYS  62  16.145  -3.057  -8.094
  468    HB2  LYS  62           1HB      LYS  62  16.915  -5.461  -7.859
  469    HB3  LYS  62           2HB      LYS  62  15.757  -5.873  -9.131
  470    HG2  LYS  62           1HG      LYS  62  16.922  -4.243 -10.653
  471    HG3  LYS  62           2HG      LYS  62  18.048  -3.855  -9.340
  472    HD2  LYS  62           1HD      LYS  62  18.821  -6.214  -9.305
  473    HD3  LYS  62           2HD      LYS  62  17.681  -6.606 -10.610
  474    HE2  LYS  62           1HE      LYS  62  18.810  -4.955 -12.086
  475    HE3  LYS  62           2HE      LYS  62  19.945  -4.567 -10.788
  476    HZ1  LYS  62           3HZ      LYS  62  20.725  -6.878 -10.871
  477    HZ2  LYS  62           1HZ      LYS  62  20.891  -6.182 -12.336
  478    HZ3  LYS  62           2HZ      LYS  62  19.674  -7.236 -12.071
  479    H    ILE  63           H        ILE  63  13.832  -2.058  -7.950
  480    HA   ILE  63           HA       ILE  63  12.440  -2.341 -10.569
  481    HB   ILE  63           HB       ILE  63  11.164  -2.786  -8.438
  482   HG12  ILE  63          1HG1      ILE  63  10.012  -0.589 -10.200
  483   HG13  ILE  63          2HG1      ILE  63  10.159  -2.285 -10.678
  484   HG21  ILE  63          1HG2      ILE  63  11.170   0.256  -8.143
  485   HG22  ILE  63          2HG2      ILE  63  10.361  -0.923  -7.099
  486   HG23  ILE  63          3HG2      ILE  63  12.121  -0.851  -7.126
  487   HD11  ILE  63          3HD1      ILE  63   7.906  -1.874  -9.908
  488   HD12  ILE  63          1HD1      ILE  63   8.718  -2.941  -8.746
  489   HD13  ILE  63          2HD1      ILE  63   8.486  -1.216  -8.371
  490    H    LYS  64           H        LYS  64  11.860  -0.483 -11.770
  491    HA   LYS  64           HA       LYS  64  13.812   1.645 -11.728
  492    HB2  LYS  64           1HB      LYS  64  11.235   1.346 -13.313
  493    HB3  LYS  64           2HB      LYS  64  12.426   2.615 -13.576
  494    HG2  LYS  64           1HG      LYS  64  12.977  -0.371 -13.889
  495    HG3  LYS  64           2HG      LYS  64  12.594   0.746 -15.198
  496    HD2  LYS  64           1HD      LYS  64  14.640   2.061 -14.705
  497    HD3  LYS  64           2HD      LYS  64  15.051   0.932 -13.398
  498    HE2  LYS  64           1HE      LYS  64  15.126  -0.939 -15.010
  499    HE3  LYS  64           2HE      LYS  64  14.713   0.166 -16.327
  500    HZ1  LYS  64           3HZ      LYS  64  16.793   1.353 -15.902
  501    HZ2  LYS  64           1HZ      LYS  64  17.116  -0.222 -16.182
  502    HZ3  LYS  64           2HZ      LYS  64  17.175   0.363 -14.657
  503    H    GLN  65           H        GLN  65  13.802   3.576 -10.937
  504    HA   GLN  65           HA       GLN  65  11.394   4.923  -9.813
  505    HB2  GLN  65           1HB      GLN  65  14.050   4.480  -8.368
  506    HB3  GLN  65           2HB      GLN  65  12.741   5.509  -7.790
  507    HG2  GLN  65           1HG      GLN  65  12.454   2.495  -8.141
  508    HG3  GLN  65           2HG      GLN  65  12.956   3.288  -6.663
  509   HE21  GLN  65          1HE2      GLN  65  10.186   3.022  -8.940
  510   HE22  GLN  65          2HE2      GLN  65   9.004   3.562  -7.745
  511    H    HIS  66           H        HIS  66  12.022   7.321  -9.283
  512    HA   HIS  66           HA       HIS  66  14.466   8.206 -10.638
  513    HB2  HIS  66           1HB      HIS  66  13.519   9.829 -12.039
  514    HB3  HIS  66           2HB      HIS  66  12.648   8.340 -12.365
  515    HD1  HIS  66           1HD      HIS  66  10.004   8.341 -11.618
  516    HD2  HIS  66           2HD      HIS  66  12.186  11.877 -10.976
  517    HE1  HIS  66           1HE      HIS  66   8.287  10.160 -11.129
  518    H    CYS  67           H        CYS  67  15.262  10.207 -10.095
  519    HA   CYS  67           HA       CYS  67  14.860  11.023  -7.348
  520    HB2  CYS  67           1HB      CYS  67  17.031  10.819  -8.513
  521    HB3  CYS  67           2HB      CYS  67  16.548  12.100  -9.631
  522    H    ARG  68           H        ARG  68  13.695  12.623  -6.543
  523    HA   ARG  68           HA       ARG  68  12.028  14.276  -8.302
  524    HB2  ARG  68           1HB      ARG  68  10.811  14.951  -6.464
  525    HB3  ARG  68           2HB      ARG  68  11.167  13.265  -6.172
  526    HG2  ARG  68           1HG      ARG  68  12.543  15.668  -4.873
  527    HG3  ARG  68           2HG      ARG  68  11.300  14.670  -4.140
  528    HD2  ARG  68           1HD      ARG  68  14.089  13.725  -4.901
  529    HD3  ARG  68           2HD      ARG  68  13.544  14.185  -3.301
  530    HE   ARG  68           HE       ARG  68  12.335  11.877  -4.803
  531   HH11  ARG  68          2HH1      ARG  68  13.442  13.155  -1.731
  532   HH12  ARG  68          1HH1      ARG  68  13.049  11.682  -0.889
  533   HH21  ARG  68          2HH2      ARG  68  11.892  10.036  -3.670
  534   HH22  ARG  68          1HH2      ARG  68  12.197   9.977  -1.961
  535    H    PHE  69           H        PHE  69  15.165  14.677  -7.162
  536    HA   PHE  69           HA       PHE  69  14.997  17.645  -7.117
  537    HB2  PHE  69           1HB      PHE  69  17.285  15.789  -6.479
  538    HB3  PHE  69           2HB      PHE  69  17.290  17.530  -6.278
  539    HD1  PHE  69           2HD      PHE  69  15.336  18.496  -4.718
  540    HD2  PHE  69           1HD      PHE  69  16.830  14.455  -4.612
  541    HE1  PHE  69           2HE      PHE  69  14.577  18.274  -2.362
  542    HE2  PHE  69           1HE      PHE  69  16.116  14.252  -2.242
  543    HZ   PHE  69           HZ       PHE  69  14.984  16.161  -1.115
  544    H    CYS  70           H        CYS  70  16.473  15.034  -9.059
  545    HA   CYS  70           HA       CYS  70  17.264  17.050 -11.107
  546    HB2  CYS  70           1HB      CYS  70  19.362  16.011 -11.473
  547    HB3  CYS  70           2HB      CYS  70  19.211  16.515  -9.795
  548    H    LYS  71           H        LYS  71  15.212  14.576 -10.712
  549    HA   LYS  71           HA       LYS  71  14.063  13.158 -12.038
  550    HB2  LYS  71           1HB      LYS  71  14.884  15.032 -14.271
  551    HB3  LYS  71           2HB      LYS  71  13.562  13.884 -14.336
  552    HG2  LYS  71           1HG      LYS  71  13.738  16.248 -12.415
  553    HG3  LYS  71           2HG      LYS  71  12.837  16.223 -13.919
  554    HD2  LYS  71           1HD      LYS  71  12.250  14.407 -11.534
  555    HD3  LYS  71           2HD      LYS  71  11.416  15.913 -11.917
  556    HE2  LYS  71           1HE      LYS  71  10.757  14.976 -14.138
  557    HE3  LYS  71           2HE      LYS  71  11.499  13.434 -13.696
  558    HZ1  LYS  71           3HZ      LYS  71   9.907  13.222 -11.889
  559    HZ2  LYS  71           1HZ      LYS  71   9.088  13.491 -13.269
  560    HZ3  LYS  71           2HZ      LYS  71   9.268  14.704 -12.194
  561    H    LYS  72           H        LYS  72  17.116  12.716 -11.841
  562    HA   LYS  72           HA       LYS  72  17.787  11.006 -14.060
  563    HB2  LYS  72           1HB      LYS  72  19.390  12.080 -12.385
  564    HB3  LYS  72           2HB      LYS  72  18.843  10.913 -11.203
  565    HG2  LYS  72           1HG      LYS  72  19.646   9.048 -12.562
  566    HG3  LYS  72           2HG      LYS  72  20.017  10.130 -13.916
  567    HD2  LYS  72           1HD      LYS  72  21.810  11.188 -12.674
  568    HD3  LYS  72           2HD      LYS  72  21.364  10.323 -11.194
  569    HE2  LYS  72           1HE      LYS  72  21.796   8.144 -12.402
  570    HE3  LYS  72           2HE      LYS  72  22.364   9.073 -13.795
  571    HZ1  LYS  72           3HZ      LYS  72  24.226   8.395 -12.436
  572    HZ2  LYS  72           1HZ      LYS  72  23.594   9.054 -11.088
  573    HZ3  LYS  72           2HZ      LYS  72  24.101  10.016 -12.318
  574    H    LYS  73           H        LYS  73  17.454   8.839 -14.383
  575    HA   LYS  73           HA       LYS  73  15.513   7.444 -12.635
  576    HB2  LYS  73           1HB      LYS  73  16.614   6.833 -15.392
  577    HB3  LYS  73           2HB      LYS  73  15.662   5.664 -14.459
  578    HG2  LYS  73           1HG      LYS  73  13.802   7.251 -14.264
  579    HG3  LYS  73           2HG      LYS  73  14.715   8.472 -15.168
  580    HD2  LYS  73           1HD      LYS  73  14.741   7.012 -17.157
  581    HD3  LYS  73           2HD      LYS  73  13.895   5.735 -16.249
  582    HE2  LYS  73           1HE      LYS  73  11.979   7.255 -15.876
  583    HE3  LYS  73           2HE      LYS  73  12.811   8.541 -16.760
  584    HZ1  LYS  73           3HZ      LYS  73  11.975   5.940 -17.936
  585    HZ2  LYS  73           1HZ      LYS  73  12.746   7.129 -18.749
  586    HZ3  LYS  73           2HZ      LYS  73  11.233   7.369 -18.189
  587    H    TYR  74           H        TYR  74  15.770   5.580 -11.663
  588    HA   TYR  74           HA       TYR  74  18.512   4.503 -11.163
  589    HB2  TYR  74           1HB      TYR  74  16.522   5.659  -9.195
  590    HB3  TYR  74           2HB      TYR  74  17.563   4.331  -8.699
  591    HD1  TYR  74           1HD      TYR  74  17.601   7.861  -9.942
  592    HD2  TYR  74           2HD      TYR  74  19.880   4.586  -8.313
  593    HE1  TYR  74           1HE      TYR  74  19.634   9.298  -9.924
  594    HE2  TYR  74           2HE      TYR  74  21.938   6.008  -8.343
  595    HH   TYR  74           HH       TYR  74  21.873   9.404  -9.413
  596    H    SER  75           H        SER  75  18.649   2.325 -10.736
  597    HA   SER  75           HA       SER  75  16.269   0.752 -11.536
  598    HB2  SER  75           1HB      SER  75  19.179  -0.073 -11.388
  599    HB3  SER  75           2HB      SER  75  17.834  -1.064 -11.983
  600    HG   SER  75           HG       SER  75  18.913   1.313 -13.088
  601    H    ASP  76           H        ASP  76  17.350   1.678  -8.612
  602    HA   ASP  76           HA       ASP  76  15.667  -0.305  -7.353
  603    HB2  ASP  76           1HB      ASP  76  18.032  -1.332  -7.200
  604    HB3  ASP  76           2HB      ASP  76  18.464   0.035  -6.193
  605    H    VAL  77           H        VAL  77  14.699   0.557  -5.465
  606    HA   VAL  77           HA       VAL  77  14.804   3.417  -5.168
  607    HB   VAL  77           HB       VAL  77  12.834   1.955  -4.656
  608   HG11  VAL  77          1HG1      VAL  77  14.159   1.407  -1.974
  609   HG12  VAL  77          2HG1      VAL  77  12.551   0.904  -2.515
  610   HG13  VAL  77          3HG1      VAL  77  13.987   0.207  -3.281
  611   HG21  VAL  77          3HG2      VAL  77  12.015   3.333  -2.818
  612   HG22  VAL  77          1HG2      VAL  77  13.669   3.831  -2.407
  613   HG23  VAL  77          2HG2      VAL  77  12.945   4.318  -3.956
  614    H    LYS  78           H        LYS  78  16.484   0.813  -3.360
  615    HA   LYS  78           HA       LYS  78  17.470   2.584  -1.270
  616    HB2  LYS  78           1HB      LYS  78  18.551  -0.093  -2.221
  617    HB3  LYS  78           2HB      LYS  78  19.044   0.757  -0.764
  618    HG2  LYS  78           1HG      LYS  78  16.828   0.625   0.193
  619    HG3  LYS  78           2HG      LYS  78  16.153  -0.116  -1.255
  620    HD2  LYS  78           1HD      LYS  78  18.456  -1.520   0.114
  621    HD3  LYS  78           2HD      LYS  78  16.878  -1.526   0.889
  622    HE2  LYS  78           1HE      LYS  78  17.055  -3.528  -0.398
  623    HE3  LYS  78           2HE      LYS  78  15.819  -2.491  -1.104
  624    HZ1  LYS  78           3HZ      LYS  78  17.382  -1.858  -2.841
  625    HZ2  LYS  78           1HZ      LYS  78  17.278  -3.475  -2.790
  626    HZ3  LYS  78           2HZ      LYS  78  18.591  -2.741  -2.151
  627    H    ASN  79           H        ASN  79  18.705   1.675  -4.490
  628    HA   ASN  79           HA       ASN  79  21.182   3.147  -4.122
  629    HB2  ASN  79           1HB      ASN  79  19.720   2.202  -6.636
  630    HB3  ASN  79           2HB      ASN  79  21.303   2.973  -6.652
  631   HD21  ASN  79          1HD2      ASN  79  21.157   0.536  -7.802
  632   HD22  ASN  79          2HD2      ASN  79  21.949  -0.643  -6.769
  633    H    LEU  80           H        LEU  80  17.949   4.103  -5.283
  634    HA   LEU  80           HA       LEU  80  18.655   6.759  -6.053
  635    HB2  LEU  80           1HB      LEU  80  16.485   5.661  -6.574
  636    HB3  LEU  80           2HB      LEU  80  16.095   5.686  -4.851
  637    HG   LEU  80           HG       LEU  80  16.068   8.131  -4.821
  638   HD11  LEU  80          1HD1      LEU  80  17.638   8.532  -6.742
  639   HD12  LEU  80          2HD1      LEU  80  16.119   9.400  -6.870
  640   HD13  LEU  80          3HD1      LEU  80  16.373   7.932  -7.840
  641   HD21  LEU  80          3HD2      LEU  80  13.989   8.413  -6.055
  642   HD22  LEU  80          1HD2      LEU  80  14.000   6.831  -5.258
  643   HD23  LEU  80          2HD2      LEU  80  14.316   6.949  -7.005
  644    H    ILE  81           H        ILE  81  17.720   5.410  -2.829
  645    HA   ILE  81           HA       ILE  81  17.835   7.881  -1.415
  646    HB   ILE  81           HB       ILE  81  18.679   5.225  -0.228
  647   HG12  ILE  81          1HG1      ILE  81  16.681   4.671  -1.217
  648   HG13  ILE  81          2HG1      ILE  81  16.352   4.886   0.447
  649   HG21  ILE  81          1HG2      ILE  81  17.714   6.231   1.841
  650   HG22  ILE  81          2HG2      ILE  81  19.096   7.137   1.208
  651   HG23  ILE  81          3HG2      ILE  81  17.444   7.744   0.946
  652   HD11  ILE  81          3HD1      ILE  81  14.516   5.820  -0.849
  653   HD12  ILE  81          1HD1      ILE  81  15.355   7.140  -0.011
  654   HD13  ILE  81          2HD1      ILE  81  15.625   6.869  -1.748
  655    H    LYS  82           H        LYS  82  20.402   5.458  -2.018
  656    HA   LYS  82           HA       LYS  82  22.497   6.815  -0.666
  657    HB2  LYS  82           1HB      LYS  82  22.518   4.453  -1.496
  658    HB3  LYS  82           2HB      LYS  82  22.718   5.049  -3.150
  659    HG2  LYS  82           1HG      LYS  82  24.857   6.135  -2.499
  660    HG3  LYS  82           2HG      LYS  82  24.663   5.539  -0.845
  661    HD2  LYS  82           1HD      LYS  82  24.922   3.795  -3.340
  662    HD3  LYS  82           2HD      LYS  82  26.239   4.195  -2.228
  663    HE2  LYS  82           1HE      LYS  82  24.991   3.108  -0.362
  664    HE3  LYS  82           2HE      LYS  82  23.709   2.654  -1.493
  665    HZ1  LYS  82           3HZ      LYS  82  25.287   0.838  -1.170
  666    HZ2  LYS  82           1HZ      LYS  82  26.536   1.754  -1.680
  667    HZ3  LYS  82           2HZ      LYS  82  25.349   1.335  -2.724
  668    H    HIS  83           H        HIS  83  21.442   7.188  -4.071
  669    HA   HIS  83           HA       HIS  83  23.268   9.280  -4.808
  670    HB2  HIS  83           1HB      HIS  83  22.044   8.197  -6.514
  671    HB3  HIS  83           2HB      HIS  83  20.500   8.441  -5.724
  672    HD1  HIS  83           1HD      HIS  83  23.160  10.630  -7.496
  673    HD2  HIS  83           2HD      HIS  83  19.121  10.564  -6.330
  674    HE1  HIS  83           1HE      HIS  83  22.103  12.667  -8.578
  675    H    ILE  84           H        ILE  84  19.987   9.563  -3.314
  676    HA   ILE  84           HA       ILE  84  20.055  12.424  -3.185
  677    HB   ILE  84           HB       ILE  84  18.554  10.315  -1.626
  678   HG12  ILE  84          1HG1      ILE  84  17.478  12.350  -3.616
  679   HG13  ILE  84          2HG1      ILE  84  18.138  10.806  -4.143
  680   HG21  ILE  84          1HG2      ILE  84  18.712  12.238  -0.111
  681   HG22  ILE  84          2HG2      ILE  84  18.267  13.349  -1.417
  682   HG23  ILE  84          3HG2      ILE  84  17.087  12.182  -0.779
  683   HD11  ILE  84          3HD1      ILE  84  15.765  11.148  -2.282
  684   HD12  ILE  84          1HD1      ILE  84  15.749  10.597  -3.968
  685   HD13  ILE  84          2HD1      ILE  84  16.521   9.598  -2.712
  686    H    ARG  85           H        ARG  85  21.098   9.994  -0.781
  687    HA   ARG  85           HA       ARG  85  22.055  11.840   1.197
  688    HB2  ARG  85           1HB      ARG  85  22.824   8.966   0.531
  689    HB3  ARG  85           2HB      ARG  85  23.477   9.847   1.916
  690    HG2  ARG  85           1HG      ARG  85  21.197  10.223   2.789
  691    HG3  ARG  85           2HG      ARG  85  20.506   9.350   1.427
  692    HD2  ARG  85           1HD      ARG  85  20.559   7.849   3.287
  693    HD3  ARG  85           2HD      ARG  85  21.771   7.305   2.114
  694    HE   ARG  85           HE       ARG  85  22.994   9.050   4.045
  695   HH11  ARG  85          1HH1      ARG  85  21.718   5.790   3.911
  696   HH12  ARG  85          2HH1      ARG  85  22.753   5.236   5.198
  697   HH21  ARG  85          2HH2      ARG  85  24.290   8.274   5.672
  698   HH22  ARG  85          1HH2      ARG  85  24.166   6.612   6.166
  699    H    ASP  86           H        ASP  86  23.569  10.900  -1.786
  700    HA   ASP  86           HA       ASP  86  26.189  12.057  -0.974
  701    HB2  ASP  86           1HB      ASP  86  25.260  10.526  -3.423
  702    HB3  ASP  86           2HB      ASP  86  26.843  11.284  -3.302
  703    H    ALA  87           H        ALA  87  23.669  12.690  -3.447
  704    HA   ALA  87           HA       ALA  87  25.142  15.090  -4.371
  705    HB1  ALA  87           1HB      ALA  87  23.716  14.866  -6.344
  706    HB2  ALA  87           2HB      ALA  87  24.501  13.319  -5.969
  707    HB3  ALA  87           3HB      ALA  87  22.788  13.573  -5.560
  708    H    HIS  88           H        HIS  88  22.143  14.295  -2.693
  709    HA   HIS  88           HA       HIS  88  21.326  17.167  -2.666
  710    HB2  HIS  88           1HB      HIS  88  19.492  14.759  -2.749
  711    HB3  HIS  88           2HB      HIS  88  19.053  16.451  -2.893
  712    HD1  HIS  88           1HD      HIS  88  20.515  17.544  -5.310
  713    HD2  HIS  88           2HD      HIS  88  19.298  13.543  -4.955
  714    HE1  HIS  88           1HE      HIS  88  20.345  16.657  -7.690
  715    H    ASP  89           H        ASP  89  22.957  15.796  -0.746
  716    HA   ASP  89           HA       ASP  89  21.865  14.460   1.261
  717    HB2  ASP  89           1HB      ASP  89  23.747  14.935   2.605
  718    HB3  ASP  89           2HB      ASP  89  24.262  14.892   0.925
  719    HA   PRO  90           HA       PRO  90  19.487  17.277   3.914
  720    HB2  PRO  90           1HB      PRO  90  18.705  15.539   5.829
  721    HB3  PRO  90           2HB      PRO  90  18.096  15.405   4.148
  722    HG2  PRO  90           1HG      PRO  90  20.376  13.864   5.436
  723    HG3  PRO  90           2HG      PRO  90  19.004  13.214   4.482
  724    HD2  PRO  90           1HD      PRO  90  21.483  13.756   3.402
  725    HD3  PRO  90           2HD      PRO  90  19.969  13.894   2.459
  726    H    GLN  91           H        GLN  91  19.549  18.002   6.211
  727    HA   GLN  91           HA       GLN  91  22.148  17.562   7.609
  728    HB2  GLN  91           1HB      GLN  91  20.691  20.221   7.313
  729    HB3  GLN  91           2HB      GLN  91  22.061  19.899   8.367
  730    HG2  GLN  91           1HG      GLN  91  22.987  20.962   6.472
  731    HG3  GLN  91           2HG      GLN  91  23.425  19.264   6.331
  732   HE21  GLN  91          1HE2      GLN  91  23.424  18.785   4.085
  733   HE22  GLN  91          2HE2      GLN  91  22.072  19.158   3.064
  734    H    ASP  92           H        ASP  92  21.967  16.976   9.623
  735    HA   ASP  92           HA       ASP  92  19.529  17.416  11.262
  736    HB2  ASP  92           1HB      ASP  92  19.170  15.286  10.088
  737    HB3  ASP  92           2HB      ASP  92  20.730  14.689  10.639
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1 -25.536 -40.292 -13.226
    2    H2   GLY   1           2H       GLY   1 -23.936 -40.075 -12.950
    3    H3   GLY   1           3H       GLY   1 -24.647 -39.358 -14.237
    4    HA2  GLY   1           1HA      GLY   1 -25.990 -37.967 -12.810
    5    HA3  GLY   1           2HA      GLY   1 -25.237 -38.753 -11.411
    6    H    SER   2           H        SER   2 -25.211 -35.945 -11.916
    7    HA   SER   2           HA       SER   2 -22.788 -35.023 -13.111
    8    HB2  SER   2           1HB      SER   2 -24.504 -33.691 -10.984
    9    HB3  SER   2           2HB      SER   2 -23.300 -32.895 -12.016
   10    HG   SER   2           HG       SER   2 -25.439 -32.679 -12.842
   11    H    SER   3           H        SER   3 -20.831 -34.331 -12.265
   12    HA   SER   3           HA       SER   3 -19.899 -35.723  -9.864
   13    HB2  SER   3           1HB      SER   3 -17.674 -34.966 -10.651
   14    HB3  SER   3           2HB      SER   3 -18.591 -35.866 -11.872
   15    HG   SER   3           HG       SER   3 -17.623 -33.957 -12.732
   16    H    GLY   4           H        GLY   4 -20.896 -32.468 -10.548
   17    HA2  GLY   4           1HA      GLY   4 -19.302 -31.117  -8.537
   18    HA3  GLY   4           2HA      GLY   4 -20.702 -30.466  -9.378
   19    H    SER   5           H        SER   5 -19.898 -30.322  -6.538
   20    HA   SER   5           HA       SER   5 -22.478 -31.080  -5.278
   21    HB2  SER   5           1HB      SER   5 -19.756 -31.756  -4.083
   22    HB3  SER   5           2HB      SER   5 -21.317 -31.949  -3.275
   23    HG   SER   5           HG       SER   5 -21.894 -33.451  -4.942
   24    H    SER   6           H        SER   6 -23.030 -29.858  -3.473
   25    HA   SER   6           HA       SER   6 -23.335 -27.996  -2.264
   26    HB2  SER   6           1HB      SER   6 -21.210 -28.815  -1.240
   27    HB3  SER   6           2HB      SER   6 -20.333 -27.623  -2.215
   28    HG   SER   6           HG       SER   6 -20.995 -26.992  -0.013
   29    H    GLY   7           H        GLY   7 -22.768 -25.603  -2.010
   30    HA2  GLY   7           1HA      GLY   7 -22.325 -24.177  -4.592
   31    HA3  GLY   7           2HA      GLY   7 -23.863 -23.943  -3.757
   32    H    LYS   8           H        LYS   8 -21.379 -24.352  -1.462
   33    HA   LYS   8           HA       LYS   8 -20.572 -22.960   0.148
   34    HB2  LYS   8           1HB      LYS   8 -19.668 -21.449  -2.307
   35    HB3  LYS   8           2HB      LYS   8 -19.059 -21.180  -0.669
   36    HG2  LYS   8           1HG      LYS   8 -18.351 -23.564  -0.533
   37    HG3  LYS   8           2HG      LYS   8 -18.860 -23.809  -2.206
   38    HD2  LYS   8           1HD      LYS   8 -16.699 -21.866  -1.280
   39    HD3  LYS   8           2HD      LYS   8 -16.419 -23.471  -1.968
   40    HE2  LYS   8           1HE      LYS   8 -17.566 -22.759  -4.069
   41    HE3  LYS   8           2HE      LYS   8 -17.775 -21.136  -3.396
   42    HZ1  LYS   8           3HZ      LYS   8 -15.800 -21.255  -4.797
   43    HZ2  LYS   8           1HZ      LYS   8 -15.157 -22.453  -3.899
   44    HZ3  LYS   8           2HZ      LYS   8 -15.340 -20.960  -3.259
   45    HA   PRO   9           HA       PRO   9 -24.403 -20.269  -0.123
   46    HB2  PRO   9           1HB      PRO   9 -25.414 -21.006   2.380
   47    HB3  PRO   9           2HB      PRO   9 -25.732 -21.815   0.830
   48    HG2  PRO   9           1HG      PRO   9 -23.726 -22.614   2.906
   49    HG3  PRO   9           2HG      PRO   9 -24.897 -23.645   2.034
   50    HD2  PRO   9           1HD      PRO   9 -22.327 -23.454   1.237
   51    HD3  PRO   9           2HD      PRO   9 -23.641 -23.525   0.032
   52    H    TYR  10           H        TYR  10 -22.031 -20.604   2.492
   53    HA   TYR  10           HA       TYR  10 -22.819 -18.075   3.725
   54    HB2  TYR  10           1HB      TYR  10 -20.543 -19.993   4.307
   55    HB3  TYR  10           2HB      TYR  10 -20.980 -18.594   5.286
   56    HD1  TYR  10           1HD      TYR  10 -21.979 -21.982   4.210
   57    HD2  TYR  10           2HD      TYR  10 -23.048 -18.591   6.649
   58    HE1  TYR  10           1HE      TYR  10 -23.618 -23.382   5.414
   59    HE2  TYR  10           2HE      TYR  10 -24.738 -19.992   7.837
   60    HH   TYR  10           HH       TYR  10 -25.228 -23.458   7.063
   61    H    LYS  11           H        LYS  11 -22.332 -16.286   2.589
   62    HA   LYS  11           HA       LYS  11 -19.706 -15.974   1.176
   63    HB2  LYS  11           1HB      LYS  11 -22.347 -14.484   0.906
   64    HB3  LYS  11           2HB      LYS  11 -20.841 -13.909   0.220
   65    HG2  LYS  11           1HG      LYS  11 -21.991 -14.926  -1.532
   66    HG3  LYS  11           2HG      LYS  11 -20.643 -15.991  -1.137
   67    HD2  LYS  11           1HD      LYS  11 -22.150 -17.563  -0.032
   68    HD3  LYS  11           2HD      LYS  11 -23.485 -16.403  -0.126
   69    HE2  LYS  11           1HE      LYS  11 -23.910 -17.997  -1.807
   70    HE3  LYS  11           2HE      LYS  11 -23.361 -16.542  -2.640
   71    HZ1  LYS  11           3HZ      LYS  11 -22.308 -18.579  -3.496
   72    HZ2  LYS  11           1HZ      LYS  11 -21.679 -18.917  -2.026
   73    HZ3  LYS  11           2HZ      LYS  11 -21.167 -17.594  -2.864
   74    H    CYS  12           H        CYS  12 -18.388 -14.183   1.457
   75    HA   CYS  12           HA       CYS  12 -18.423 -12.862   4.041
   76    HB2  CYS  12           1HB      CYS  12 -16.393 -13.623   3.025
   77    HB3  CYS  12           2HB      CYS  12 -16.673 -12.625   1.592
   78    HA   PRO  13           HA       PRO  13 -20.736  -9.302   2.459
   79    HB2  PRO  13           1HB      PRO  13 -20.660  -7.701   4.654
   80    HB3  PRO  13           2HB      PRO  13 -21.598  -9.224   4.621
   81    HG2  PRO  13           1HG      PRO  13 -18.848  -8.746   5.794
   82    HG3  PRO  13           2HG      PRO  13 -20.230  -9.615   6.526
   83    HD2  PRO  13           1HD      PRO  13 -18.152 -10.866   5.167
   84    HD3  PRO  13           2HD      PRO  13 -19.803 -11.536   5.260
   85    H    GLN  14           H        GLN  14 -17.364  -9.417   3.180
   86    HA   GLN  14           HA       GLN  14 -16.935  -6.584   2.316
   87    HB2  GLN  14           1HB      GLN  14 -15.019  -8.348   3.868
   88    HB3  GLN  14           2HB      GLN  14 -14.888  -6.628   3.507
   89    HG2  GLN  14           1HG      GLN  14 -17.253  -6.545   4.766
   90    HG3  GLN  14           2HG      GLN  14 -16.688  -8.063   5.455
   91   HE21  GLN  14          1HE2      GLN  14 -16.457  -7.287   7.613
   92   HE22  GLN  14          2HE2      GLN  14 -15.287  -6.043   8.024
   93    H    CYS  15           H        CYS  15 -16.119  -9.930   1.453
   94    HA   CYS  15           HA       CYS  15 -14.943  -8.855  -1.048
   95    HB2  CYS  15           1HB      CYS  15 -12.937 -10.143  -0.920
   96    HB3  CYS  15           2HB      CYS  15 -13.057  -9.141   0.519
   97    H    SER  16           H        SER  16 -14.174 -11.002  -2.370
   98    HA   SER  16           HA       SER  16 -16.689 -12.195  -3.187
   99    HB2  SER  16           1HB      SER  16 -15.301 -13.208  -4.978
  100    HB3  SER  16           2HB      SER  16 -15.112 -11.452  -4.845
  101    HG   SER  16           HG       SER  16 -13.089 -12.538  -5.054
  102    H    TYR  17           H        TYR  17 -14.754 -13.111  -0.672
  103    HA   TYR  17           HA       TYR  17 -14.393 -15.900  -0.956
  104    HB2  TYR  17           1HB      TYR  17 -13.321 -14.570   0.757
  105    HB3  TYR  17           2HB      TYR  17 -14.862 -14.157   1.482
  106    HD1  TYR  17           1HD      TYR  17 -12.410 -16.888   0.838
  107    HD2  TYR  17           2HD      TYR  17 -15.945 -15.744   3.040
  108    HE1  TYR  17           1HE      TYR  17 -12.156 -18.889   2.298
  109    HE2  TYR  17           2HE      TYR  17 -15.658 -17.721   4.522
  110    HH   TYR  17           HH       TYR  17 -12.969 -20.050   4.077
  111    H    ALA  18           H        ALA  18 -15.504 -17.683  -0.361
  112    HA   ALA  18           HA       ALA  18 -18.025 -17.533   1.040
  113    HB1  ALA  18           1HB      ALA  18 -19.363 -18.725  -0.608
  114    HB2  ALA  18           2HB      ALA  18 -18.718 -17.253  -1.359
  115    HB3  ALA  18           3HB      ALA  18 -17.980 -18.825  -1.725
  116    H    SER  19           H        SER  19 -18.715 -19.580   1.896
  117    HA   SER  19           HA       SER  19 -17.057 -21.974   1.404
  118    HB2  SER  19           1HB      SER  19 -16.024 -20.654   3.337
  119    HB3  SER  19           2HB      SER  19 -17.491 -21.025   4.258
  120    HG   SER  19           HG       SER  19 -15.593 -22.826   3.108
  121    H    ALA  20           H        ALA  20 -17.939 -23.918   2.431
  122    HA   ALA  20           HA       ALA  20 -20.868 -24.027   2.393
  123    HB1  ALA  20           1HB      ALA  20 -19.494 -25.670   1.169
  124    HB2  ALA  20           2HB      ALA  20 -18.781 -26.210   2.708
  125    HB3  ALA  20           3HB      ALA  20 -20.516 -26.440   2.399
  126    H    ILE  21           H        ILE  21 -18.713 -23.265   4.810
  127    HA   ILE  21           HA       ILE  21 -20.420 -24.427   6.986
  128    HB   ILE  21           HB       ILE  21 -17.388 -24.222   6.846
  129   HG12  ILE  21          1HG1      ILE  21 -19.219 -26.668   6.785
  130   HG13  ILE  21          2HG1      ILE  21 -18.238 -26.068   5.449
  131   HG21  ILE  21          1HG2      ILE  21 -17.361 -25.368   9.024
  132   HG22  ILE  21          2HG2      ILE  21 -18.207 -23.852   9.135
  133   HG23  ILE  21          3HG2      ILE  21 -19.141 -25.366   9.067
  134   HD11  ILE  21          3HD1      ILE  21 -16.171 -26.531   6.800
  135   HD12  ILE  21          1HD1      ILE  21 -17.210 -27.363   7.986
  136   HD13  ILE  21          2HD1      ILE  21 -17.116 -27.956   6.325
  137    H    LYS  22           H        LYS  22 -21.080 -22.977   8.540
  138    HA   LYS  22           HA       LYS  22 -20.556 -20.173   8.216
  139    HB2  LYS  22           1HB      LYS  22 -22.620 -21.120   9.228
  140    HB3  LYS  22           2HB      LYS  22 -21.699 -21.470  10.705
  141    HG2  LYS  22           1HG      LYS  22 -21.117 -19.109  10.962
  142    HG3  LYS  22           2HG      LYS  22 -21.812 -18.712   9.378
  143    HD2  LYS  22           1HD      LYS  22 -24.036 -19.364  10.209
  144    HD3  LYS  22           2HD      LYS  22 -23.354 -19.666  11.819
  145    HE2  LYS  22           1HE      LYS  22 -23.320 -17.003  10.305
  146    HE3  LYS  22           2HE      LYS  22 -24.437 -17.414  11.606
  147    HZ1  LYS  22           3HZ      LYS  22 -22.590 -16.101  12.440
  148    HZ2  LYS  22           1HZ      LYS  22 -21.477 -17.171  11.916
  149    HZ3  LYS  22           2HZ      LYS  22 -22.525 -17.582  13.112
  150    H    ALA  23           H        ALA  23 -19.101 -22.542  10.468
  151    HA   ALA  23           HA       ALA  23 -17.529 -20.759  11.988
  152    HB1  ALA  23           1HB      ALA  23 -17.856 -23.158  12.498
  153    HB2  ALA  23           2HB      ALA  23 -16.837 -23.594  11.105
  154    HB3  ALA  23           3HB      ALA  23 -16.140 -22.713  12.476
  155    H    ASN  24           H        ASN  24 -16.863 -22.069   8.729
  156    HA   ASN  24           HA       ASN  24 -14.217 -20.921   8.490
  157    HB2  ASN  24           1HB      ASN  24 -16.290 -21.902   6.466
  158    HB3  ASN  24           2HB      ASN  24 -14.717 -21.318   6.005
  159   HD21  ASN  24          1HD2      ASN  24 -15.298 -23.700   5.151
  160   HD22  ASN  24          2HD2      ASN  24 -14.396 -24.930   6.045
  161    H    LEU  25           H        LEU  25 -17.508 -19.691   7.630
  162    HA   LEU  25           HA       LEU  25 -16.480 -17.206   6.582
  163    HB2  LEU  25           1HB      LEU  25 -18.720 -17.962   6.039
  164    HB3  LEU  25           2HB      LEU  25 -19.201 -17.900   7.738
  165    HG   LEU  25           HG       LEU  25 -18.899 -15.452   7.770
  166   HD11  LEU  25          1HD1      LEU  25 -18.573 -14.205   5.674
  167   HD12  LEU  25          2HD1      LEU  25 -18.250 -15.719   4.797
  168   HD13  LEU  25          3HD1      LEU  25 -17.139 -15.145   6.060
  169   HD21  LEU  25          3HD2      LEU  25 -20.608 -16.319   5.414
  170   HD22  LEU  25          1HD2      LEU  25 -20.803 -14.859   6.400
  171   HD23  LEU  25          2HD2      LEU  25 -21.083 -16.452   7.127
  172    H    ASN  26           H        ASN  26 -17.614 -18.094   9.894
  173    HA   ASN  26           HA       ASN  26 -17.205 -15.605  11.157
  174    HB2  ASN  26           1HB      ASN  26 -16.527 -18.362  12.290
  175    HB3  ASN  26           2HB      ASN  26 -16.784 -16.908  13.229
  176   HD21  ASN  26          1HD2      ASN  26 -17.981 -19.272  13.723
  177   HD22  ASN  26          2HD2      ASN  26 -19.722 -19.089  13.504
  178    H    VAL  27           H        VAL  27 -14.805 -18.236  10.617
  179    HA   VAL  27           HA       VAL  27 -12.685 -16.849  11.927
  180    HB   VAL  27           HB       VAL  27 -13.037 -19.403  11.220
  181   HG11  VAL  27          1HG1      VAL  27 -12.571 -19.216   8.837
  182   HG12  VAL  27          2HG1      VAL  27 -10.946 -18.585   9.196
  183   HG13  VAL  27          3HG1      VAL  27 -11.412 -20.229   9.678
  184   HG21  VAL  27          3HG2      VAL  27 -11.518 -18.495  12.895
  185   HG22  VAL  27          1HG2      VAL  27 -10.677 -19.709  11.910
  186   HG23  VAL  27          2HG2      VAL  27 -10.401 -17.969  11.597
  187    H    HIS  28           H        HIS  28 -13.611 -17.056   8.563
  188    HA   HIS  28           HA       HIS  28 -11.411 -15.764   7.410
  189    HB2  HIS  28           1HB      HIS  28 -13.027 -16.992   6.138
  190    HB3  HIS  28           2HB      HIS  28 -14.349 -15.943   6.636
  191    HD1  HIS  28           1HD      HIS  28 -11.461 -15.881   4.135
  192    HD2  HIS  28           2HD      HIS  28 -14.692 -13.571   5.491
  193    HE1  HIS  28           1HE      HIS  28 -11.552 -13.846   2.610
  194    H    LEU  29           H        LEU  29 -14.370 -14.298   8.781
  195    HA   LEU  29           HA       LEU  29 -14.003 -11.641   7.887
  196    HB2  LEU  29           1HB      LEU  29 -15.260 -12.734  10.426
  197    HB3  LEU  29           2HB      LEU  29 -15.422 -11.058   9.924
  198    HG   LEU  29           HG       LEU  29 -16.318 -13.354   8.148
  199   HD11  LEU  29          1HD1      LEU  29 -18.598 -12.960   8.985
  200   HD12  LEU  29          2HD1      LEU  29 -17.984 -11.748  10.135
  201   HD13  LEU  29          3HD1      LEU  29 -17.535 -13.459  10.307
  202   HD21  LEU  29          3HD2      LEU  29 -17.043 -10.407   8.195
  203   HD22  LEU  29          1HD2      LEU  29 -17.781 -11.654   7.168
  204   HD23  LEU  29          2HD2      LEU  29 -16.077 -11.251   6.955
  205    H    ARG  30           H        ARG  30 -12.351 -13.307  10.468
  206    HA   ARG  30           HA       ARG  30 -11.442 -11.154  12.046
  207    HB2  ARG  30           1HB      ARG  30 -10.016 -13.777  11.410
  208    HB3  ARG  30           2HB      ARG  30  -9.636 -12.707  12.753
  209    HG2  ARG  30           1HG      ARG  30 -11.896 -13.060  13.716
  210    HG3  ARG  30           2HG      ARG  30 -12.311 -14.120  12.366
  211    HD2  ARG  30           1HD      ARG  30 -11.727 -15.531  14.211
  212    HD3  ARG  30           2HD      ARG  30 -10.465 -15.659  12.994
  213    HE   ARG  30           HE       ARG  30  -8.930 -14.691  14.446
  214   HH11  ARG  30          2HH1      ARG  30 -12.093 -14.290  15.911
  215   HH12  ARG  30          1HH1      ARG  30 -11.417 -13.769  17.430
  216   HH21  ARG  30          2HH2      ARG  30  -8.146 -14.013  16.405
  217   HH22  ARG  30          1HH2      ARG  30  -9.244 -13.618  17.695
  218    H    LYS  31           H        LYS  31 -10.278 -12.143   8.893
  219    HA   LYS  31           HA       LYS  31  -7.825 -10.551   9.063
  220    HB2  LYS  31           1HB      LYS  31  -7.269 -11.387   7.009
  221    HB3  LYS  31           2HB      LYS  31  -8.279 -12.663   7.677
  222    HG2  LYS  31           1HG      LYS  31 -10.203 -11.751   6.268
  223    HG3  LYS  31           2HG      LYS  31  -9.076 -10.584   5.585
  224    HD2  LYS  31           1HD      LYS  31  -9.282 -12.425   4.049
  225    HD3  LYS  31           2HD      LYS  31  -7.651 -12.417   4.733
  226    HE2  LYS  31           1HE      LYS  31  -8.423 -14.194   6.383
  227    HE3  LYS  31           2HE      LYS  31  -9.967 -14.243   5.533
  228    HZ1  LYS  31           3HZ      LYS  31  -8.697 -14.900   3.508
  229    HZ2  LYS  31           1HZ      LYS  31  -8.429 -15.964   4.725
  230    HZ3  LYS  31           2HZ      LYS  31  -7.300 -14.858   4.347
  231    H    HIS  32           H        HIS  32 -11.051  -9.815   8.299
  232    HA   HIS  32           HA       HIS  32 -10.398  -7.230   7.001
  233    HB2  HIS  32           1HB      HIS  32 -13.082  -8.439   7.762
  234    HB3  HIS  32           2HB      HIS  32 -12.818  -6.967   6.837
  235    HD1  HIS  32           1HD      HIS  32 -11.064  -7.619   4.513
  236    HD2  HIS  32           2HD      HIS  32 -13.803 -10.342   6.159
  237    HE1  HIS  32           1HE      HIS  32 -11.535  -9.306   2.681
  238    H    THR  33           H        THR  33 -11.187  -8.421  10.242
  239    HA   THR  33           HA       THR  33 -11.791  -5.750  11.300
  240    HB   THR  33           HB       THR  33 -11.936  -6.754  13.454
  241    HG1  THR  33           1HG      THR  33 -11.336  -8.850  13.845
  242   HG21  THR  33          3HG2      THR  33 -13.613  -8.450  13.127
  243   HG22  THR  33          1HG2      THR  33 -12.983  -8.836  11.513
  244   HG23  THR  33          2HG2      THR  33 -13.785  -7.273  11.803
  245    H    GLY  34           H        GLY  34  -8.992  -7.887  11.211
  246    HA2  GLY  34           1HA      GLY  34  -7.231  -6.360  12.867
  247    HA3  GLY  34           2HA      GLY  34  -6.813  -7.601  11.687
  248    H    GLU  35           H        GLU  35  -5.182  -5.333  12.125
  249    HA   GLU  35           HA       GLU  35  -5.840  -3.178  10.314
  250    HB2  GLU  35           1HB      GLU  35  -4.531  -2.958  12.447
  251    HB3  GLU  35           2HB      GLU  35  -3.154  -3.717  11.613
  252    HG2  GLU  35           1HG      GLU  35  -3.042  -1.892  10.016
  253    HG3  GLU  35           2HG      GLU  35  -4.587  -1.243  10.569
  254    H    LYS  36           H        LYS  36  -5.570  -2.948   8.292
  255    HA   LYS  36           HA       LYS  36  -3.986  -4.917   6.722
  256    HB2  LYS  36           1HB      LYS  36  -6.445  -3.246   6.234
  257    HB3  LYS  36           2HB      LYS  36  -5.495  -3.827   4.871
  258    HG2  LYS  36           1HG      LYS  36  -6.231  -5.839   7.011
  259    HG3  LYS  36           2HG      LYS  36  -7.504  -5.253   5.940
  260    HD2  LYS  36           1HD      LYS  36  -6.014  -5.826   3.965
  261    HD3  LYS  36           2HD      LYS  36  -4.859  -6.550   5.106
  262    HE2  LYS  36           1HE      LYS  36  -6.672  -8.144   5.815
  263    HE3  LYS  36           2HE      LYS  36  -7.746  -7.401   4.623
  264    HZ1  LYS  36           3HZ      LYS  36  -6.761  -9.300   3.581
  265    HZ2  LYS  36           1HZ      LYS  36  -5.245  -8.897   4.041
  266    HZ3  LYS  36           2HZ      LYS  36  -6.003  -8.006   2.911
  267    H    PHE  37           H        PHE  37  -2.071  -4.354   6.458
  268    HA   PHE  37           HA       PHE  37  -1.307  -1.639   5.534
  269    HB2  PHE  37           1HB      PHE  37   0.537  -4.009   5.898
  270    HB3  PHE  37           2HB      PHE  37   0.915  -2.279   5.878
  271    HD1  PHE  37           2HD      PHE  37   0.479  -0.841   7.825
  272    HD2  PHE  37           1HD      PHE  37  -0.292  -5.083   7.898
  273    HE1  PHE  37           2HE      PHE  37   0.164  -0.744  10.259
  274    HE2  PHE  37           1HE      PHE  37  -0.553  -4.996  10.347
  275    HZ   PHE  37           HZ       PHE  37  -0.438  -2.815  11.542
  276    H    ALA  38           H        ALA  38  -1.478  -1.192   3.436
  277    HA   ALA  38           HA       ALA  38  -1.511  -3.310   1.385
  278    HB1  ALA  38           1HB      ALA  38  -3.265  -1.548   1.420
  279    HB2  ALA  38           2HB      ALA  38  -2.005  -0.318   1.146
  280    HB3  ALA  38           3HB      ALA  38  -2.329  -1.546  -0.091
  281    H    CYS  39           H        CYS  39  -0.186  -3.485  -0.428
  282    HA   CYS  39           HA       CYS  39   2.515  -2.474  -0.267
  283    HB2  CYS  39           1HB      CYS  39   1.911  -4.624  -1.113
  284    HB3  CYS  39           2HB      CYS  39   0.896  -3.922  -2.366
  285    H    ASP  40           H        ASP  40   3.539  -0.990  -1.416
  286    HA   ASP  40           HA       ASP  40   1.960   1.266  -2.474
  287    HB2  ASP  40           1HB      ASP  40   3.902   1.534  -0.884
  288    HB3  ASP  40           2HB      ASP  40   4.973   0.972  -2.166
  289    H    TYR  41           H        TYR  41   3.188  -1.601  -3.737
  290    HA   TYR  41           HA       TYR  41   3.715  -0.437  -6.462
  291    HB2  TYR  41           1HB      TYR  41   4.865  -2.901  -5.116
  292    HB3  TYR  41           2HB      TYR  41   5.123  -2.441  -6.789
  293    HD1  TYR  41           2HD      TYR  41   5.635  -1.495  -3.258
  294    HD2  TYR  41           1HD      TYR  41   6.845  -0.829  -7.337
  295    HE1  TYR  41           2HE      TYR  41   7.603  -0.178  -2.454
  296    HE2  TYR  41           1HE      TYR  41   8.842   0.440  -6.549
  297    HH   TYR  41           HH       TYR  41   9.488   0.995  -3.059
  298    H    CYS  42           H        CYS  42   1.901  -2.877  -4.681
  299    HA   CYS  42           HA       CYS  42   0.269  -3.274  -7.110
  300    HB2  CYS  42           1HB      CYS  42   0.171  -5.686  -6.926
  301    HB3  CYS  42           2HB      CYS  42   1.830  -5.143  -7.197
  302    H    SER  43           H        SER  43  -1.661  -4.827  -6.495
  303    HA   SER  43           HA       SER  43  -3.251  -3.470  -4.498
  304    HB2  SER  43           1HB      SER  43  -3.876  -5.990  -6.077
  305    HB3  SER  43           2HB      SER  43  -5.039  -4.961  -5.219
  306    HG   SER  43           HG       SER  43  -4.959  -4.485  -7.466
  307    H    PHE  44           H        PHE  44  -0.863  -5.616  -3.835
  308    HA   PHE  44           HA       PHE  44  -2.046  -7.598  -2.204
  309    HB2  PHE  44           1HB      PHE  44   0.203  -7.736  -2.961
  310    HB3  PHE  44           2HB      PHE  44   0.674  -6.278  -2.113
  311    HD1  PHE  44           2HD      PHE  44  -0.457  -9.812  -1.604
  312    HD2  PHE  44           1HD      PHE  44   1.513  -6.386   0.120
  313    HE1  PHE  44           2HE      PHE  44   0.295 -11.201   0.317
  314    HE2  PHE  44           1HE      PHE  44   2.299  -7.789   2.014
  315    HZ   PHE  44           HZ       PHE  44   1.674 -10.190   2.125
  316    H    THR  45           H        THR  45  -2.326  -7.779  -0.028
  317    HA   THR  45           HA       THR  45  -1.824  -5.532   1.765
  318    HB   THR  45           HB       THR  45  -3.942  -5.749   2.918
  319    HG1  THR  45           1HG      THR  45  -4.841  -7.193   0.658
  320   HG21  THR  45          3HG2      THR  45  -3.664  -3.958   1.359
  321   HG22  THR  45          1HG2      THR  45  -5.351  -4.509   1.345
  322   HG23  THR  45          2HG2      THR  45  -4.251  -4.957   0.009
  323    H    CYS  46           H        CYS  46  -1.648  -6.051   3.896
  324    HA   CYS  46           HA       CYS  46  -1.459  -8.947   4.618
  325    HB2  CYS  46           1HB      CYS  46   0.722  -7.993   3.705
  326    HB3  CYS  46           2HB      CYS  46   0.771  -6.935   5.125
  327    HG   CYS  46           HG       CYS  46   2.383  -8.927   5.508
  328    H    LEU  47           H        LEU  47  -1.461  -9.402   6.831
  329    HA   LEU  47           HA       LEU  47  -2.650  -7.364   8.620
  330    HB2  LEU  47           1HB      LEU  47  -2.365 -10.377   8.710
  331    HB3  LEU  47           2HB      LEU  47  -2.733  -9.475  10.160
  332    HG   LEU  47           HG       LEU  47  -4.725 -10.425   9.172
  333   HD11  LEU  47          1HD1      LEU  47  -4.838  -8.291  10.473
  334   HD12  LEU  47          2HD1      LEU  47  -6.167  -8.514   9.318
  335   HD13  LEU  47          3HD1      LEU  47  -4.848  -7.399   8.936
  336   HD21  LEU  47          3HD2      LEU  47  -5.730  -9.643   7.132
  337   HD22  LEU  47          1HD2      LEU  47  -4.117 -10.284   6.763
  338   HD23  LEU  47          2HD2      LEU  47  -4.394  -8.521   6.827
  339    H    SER  48           H        SER  48   0.422  -8.113   7.748
  340    HA   SER  48           HA       SER  48   1.539  -7.056  10.306
  341    HB2  SER  48           1HB      SER  48   2.117  -9.397  10.305
  342    HB3  SER  48           2HB      SER  48   2.668  -9.317   8.620
  343    HG   SER  48           HG       SER  48   4.314  -9.147  10.386
  344    H    LYS  49           H        LYS  49   2.380  -5.223  10.033
  345    HA   LYS  49           HA       LYS  49   3.160  -3.949   7.619
  346    HB2  LYS  49           1HB      LYS  49   4.370  -2.417   9.115
  347    HB3  LYS  49           2HB      LYS  49   2.676  -2.662   9.550
  348    HG2  LYS  49           1HG      LYS  49   3.489  -4.226  11.401
  349    HG3  LYS  49           2HG      LYS  49   5.141  -3.786  10.944
  350    HD2  LYS  49           1HD      LYS  49   4.624  -2.384  12.763
  351    HD3  LYS  49           2HD      LYS  49   4.475  -1.345  11.331
  352    HE2  LYS  49           1HE      LYS  49   2.021  -1.649  11.364
  353    HE3  LYS  49           2HE      LYS  49   2.157  -2.730  12.757
  354    HZ1  LYS  49           3HZ      LYS  49   3.061  -0.858  14.032
  355    HZ2  LYS  49           1HZ      LYS  49   1.591  -0.470  13.443
  356    HZ3  LYS  49           2HZ      LYS  49   2.934   0.141  12.745
  357    H    GLY  50           H        GLY  50   4.895  -6.125   9.746
  358    HA2  GLY  50           1HA      GLY  50   7.569  -5.529   8.761
  359    HA3  GLY  50           2HA      GLY  50   7.058  -6.824   9.842
  360    H    HIS  51           H        HIS  51   5.128  -8.132   8.094
  361    HA   HIS  51           HA       HIS  51   6.867  -9.497   6.205
  362    HB2  HIS  51           1HB      HIS  51   4.897 -10.464   7.527
  363    HB3  HIS  51           2HB      HIS  51   3.850  -9.667   6.354
  364    HD1  HIS  51           1HD      HIS  51   5.342 -12.933   6.896
  365    HD2  HIS  51           2HD      HIS  51   4.763 -10.390   3.609
  366    HE1  HIS  51           1HE      HIS  51   5.505 -14.407   4.825
  367    H    LEU  52           H        LEU  52   4.405  -6.897   5.950
  368    HA   LEU  52           HA       LEU  52   4.252  -6.724   3.135
  369    HB2  LEU  52           1HB      LEU  52   2.752  -5.499   4.588
  370    HB3  LEU  52           2HB      LEU  52   4.095  -4.628   5.324
  371    HG   LEU  52           HG       LEU  52   4.560  -3.472   3.172
  372   HD11  LEU  52          1HD1      LEU  52   2.898  -3.576   1.381
  373   HD12  LEU  52          2HD1      LEU  52   2.005  -4.857   2.220
  374   HD13  LEU  52          3HD1      LEU  52   3.642  -5.150   1.578
  375   HD21  LEU  52          3HD2      LEU  52   2.725  -1.957   3.293
  376   HD22  LEU  52          1HD2      LEU  52   3.011  -2.556   4.939
  377   HD23  LEU  52          2HD2      LEU  52   1.668  -3.208   3.968
  378    H    LYS  53           H        LYS  53   6.814  -5.402   5.324
  379    HA   LYS  53           HA       LYS  53   8.293  -4.056   3.268
  380    HB2  LYS  53           1HB      LYS  53   8.779  -3.494   5.494
  381    HB3  LYS  53           2HB      LYS  53   8.894  -5.175   6.013
  382    HG2  LYS  53           1HG      LYS  53  10.965  -5.492   4.804
  383    HG3  LYS  53           2HG      LYS  53  10.897  -3.841   4.154
  384    HD2  LYS  53           1HD      LYS  53  11.236  -2.884   6.342
  385    HD3  LYS  53           2HD      LYS  53  10.908  -4.443   7.151
  386    HE2  LYS  53           1HE      LYS  53  12.833  -5.458   6.066
  387    HE3  LYS  53           2HE      LYS  53  13.197  -3.952   5.214
  388    HZ1  LYS  53           3HZ      LYS  53  14.578  -4.188   7.208
  389    HZ2  LYS  53           1HZ      LYS  53  13.267  -4.294   8.172
  390    HZ3  LYS  53           2HZ      LYS  53  13.594  -2.898   7.386
  391    H    VAL  54           H        VAL  54   8.538  -7.424   4.529
  392    HA   VAL  54           HA       VAL  54  10.625  -8.252   2.802
  393    HB   VAL  54           HB       VAL  54   8.319 -10.002   3.795
  394   HG11  VAL  54          1HG1      VAL  54   9.962 -11.830   3.657
  395   HG12  VAL  54          2HG1      VAL  54   9.678 -11.083   2.082
  396   HG13  VAL  54          3HG1      VAL  54  11.160 -10.701   2.972
  397   HG21  VAL  54          3HG2      VAL  54   9.334  -8.896   5.716
  398   HG22  VAL  54          1HG2      VAL  54   9.765 -10.600   5.683
  399   HG23  VAL  54          2HG2      VAL  54  10.957  -9.376   5.167
  400    H    HIS  55           H        HIS  55   7.076  -8.399   2.245
  401    HA   HIS  55           HA       HIS  55   7.050  -9.563  -0.326
  402    HB2  HIS  55           1HB      HIS  55   5.010  -9.200   0.876
  403    HB3  HIS  55           2HB      HIS  55   5.339  -7.482   1.035
  404    HD1  HIS  55           1HD      HIS  55   4.132 -10.015  -1.594
  405    HD2  HIS  55           2HD      HIS  55   4.582  -5.876  -0.997
  406    HE1  HIS  55           1HE      HIS  55   3.012  -8.905  -3.575
  407    H    ILE  56           H        ILE  56   7.611  -6.099   0.509
  408    HA   ILE  56           HA       ILE  56   7.984  -5.369  -2.293
  409    HB   ILE  56           HB       ILE  56   8.634  -3.929   0.285
  410   HG12  ILE  56          1HG1      ILE  56   6.413  -3.371  -1.735
  411   HG13  ILE  56          2HG1      ILE  56   6.177  -4.398  -0.327
  412   HG21  ILE  56          1HG2      ILE  56  10.116  -3.172  -1.566
  413   HG22  ILE  56          2HG2      ILE  56   8.690  -2.910  -2.596
  414   HG23  ILE  56          3HG2      ILE  56   8.950  -1.919  -1.144
  415   HD11  ILE  56          3HD1      ILE  56   5.342  -2.215   0.170
  416   HD12  ILE  56          1HD1      ILE  56   6.756  -2.553   1.185
  417   HD13  ILE  56          2HD1      ILE  56   6.899  -1.458  -0.217
  418    H    GLU  57           H        GLU  57  10.220  -6.269   0.350
  419    HA   GLU  57           HA       GLU  57  12.662  -5.817  -1.066
  420    HB2  GLU  57           1HB      GLU  57  12.020  -7.771   1.173
  421    HB3  GLU  57           2HB      GLU  57  13.635  -7.440   0.554
  422    HG2  GLU  57           1HG      GLU  57  13.365  -5.053   1.104
  423    HG3  GLU  57           2HG      GLU  57  11.849  -5.385   1.897
  424    H    ARG  58           H        ARG  58  10.371  -8.359  -1.407
  425    HA   ARG  58           HA       ARG  58  12.301 -10.041  -2.979
  426    HB2  ARG  58           1HB      ARG  58  11.147 -11.955  -2.404
  427    HB3  ARG  58           2HB      ARG  58  11.138 -10.965  -0.962
  428    HG2  ARG  58           1HG      ARG  58   8.772 -10.241  -1.622
  429    HG3  ARG  58           2HG      ARG  58   8.826 -11.552  -2.820
  430    HD2  ARG  58           1HD      ARG  58   9.242 -13.188  -1.017
  431    HD3  ARG  58           2HD      ARG  58   9.283 -11.867   0.159
  432    HE   ARG  58           HE       ARG  58   6.807 -12.311  -1.441
  433   HH11  ARG  58          2HH1      ARG  58   8.296 -12.626   1.732
  434   HH12  ARG  58          1HH1      ARG  58   6.735 -12.627   2.531
  435   HH21  ARG  58          2HH2      ARG  58   4.867 -12.508  -0.280
  436   HH22  ARG  58          1HH2      ARG  58   4.942 -12.605   1.462
  437    H    VAL  59           H        VAL  59   9.059  -8.581  -3.268
  438    HA   VAL  59           HA       VAL  59   8.887  -9.669  -5.972
  439    HB   VAL  59           HB       VAL  59   6.819  -7.968  -4.537
  440   HG11  VAL  59          1HG1      VAL  59   6.596  -9.800  -6.963
  441   HG12  VAL  59          2HG1      VAL  59   5.251  -8.949  -6.170
  442   HG13  VAL  59          3HG1      VAL  59   6.507  -8.026  -6.992
  443   HG21  VAL  59          3HG2      VAL  59   7.090 -10.013  -3.260
  444   HG22  VAL  59          1HG2      VAL  59   5.623 -10.157  -4.211
  445   HG23  VAL  59          2HG2      VAL  59   7.096 -10.999  -4.743
  446    H    HIS  60           H        HIS  60   9.072  -6.442  -4.428
  447    HA   HIS  60           HA       HIS  60   9.252  -5.152  -7.099
  448    HB2  HIS  60           1HB      HIS  60   8.349  -3.921  -4.507
  449    HB3  HIS  60           2HB      HIS  60   8.168  -3.274  -6.134
  450    HD1  HIS  60           1HD      HIS  60   6.422  -4.911  -7.750
  451    HD2  HIS  60           2HD      HIS  60   6.313  -5.121  -3.555
  452    HE1  HIS  60           1HE      HIS  60   4.137  -5.866  -7.161
  453    H    LYS  61           H        LYS  61  11.528  -6.151  -5.358
  454    HA   LYS  61           HA       LYS  61  13.008  -3.710  -4.660
  455    HB2  LYS  61           1HB      LYS  61  13.019  -5.555  -3.206
  456    HB3  LYS  61           2HB      LYS  61  13.577  -6.673  -4.427
  457    HG2  LYS  61           1HG      LYS  61  15.252  -4.295  -3.497
  458    HG3  LYS  61           2HG      LYS  61  15.185  -5.783  -2.572
  459    HD2  LYS  61           1HD      LYS  61  16.314  -5.431  -5.360
  460    HD3  LYS  61           2HD      LYS  61  17.172  -5.854  -3.890
  461    HE2  LYS  61           1HE      LYS  61  15.192  -7.560  -5.450
  462    HE3  LYS  61           2HE      LYS  61  16.935  -7.779  -5.357
  463    HZ1  LYS  61           3HZ      LYS  61  16.667  -8.239  -2.950
  464    HZ2  LYS  61           1HZ      LYS  61  15.839  -9.310  -3.855
  465    HZ3  LYS  61           2HZ      LYS  61  15.035  -8.124  -3.077
  466    H    LYS  62           H        LYS  62  14.621  -2.783  -5.689
  467    HA   LYS  62           HA       LYS  62  15.597  -1.883  -7.518
  468    HB2  LYS  62           1HB      LYS  62  16.661  -4.716  -7.733
  469    HB3  LYS  62           2HB      LYS  62  17.262  -3.375  -8.716
  470    HG2  LYS  62           1HG      LYS  62  17.920  -2.110  -6.748
  471    HG3  LYS  62           2HG      LYS  62  17.278  -3.356  -5.669
  472    HD2  LYS  62           1HD      LYS  62  18.872  -5.007  -6.639
  473    HD3  LYS  62           2HD      LYS  62  19.559  -3.747  -7.668
  474    HE2  LYS  62           1HE      LYS  62  19.504  -3.683  -4.612
  475    HE3  LYS  62           2HE      LYS  62  20.866  -4.264  -5.572
  476    HZ1  LYS  62           3HZ      LYS  62  19.804  -1.488  -5.642
  477    HZ2  LYS  62           1HZ      LYS  62  21.041  -2.040  -6.561
  478    HZ3  LYS  62           2HZ      LYS  62  21.197  -1.961  -4.941
  479    H    ILE  63           H        ILE  63  13.096  -2.099  -7.972
  480    HA   ILE  63           HA       ILE  63  12.607  -3.175 -10.687
  481    HB   ILE  63           HB       ILE  63  11.044  -3.537  -8.718
  482   HG12  ILE  63          1HG1      ILE  63   9.701  -2.319 -11.155
  483   HG13  ILE  63          2HG1      ILE  63  10.495  -3.900 -11.166
  484   HG21  ILE  63          1HG2      ILE  63  10.059  -0.720  -9.370
  485   HG22  ILE  63          2HG2      ILE  63   9.453  -1.818  -8.119
  486   HG23  ILE  63          3HG2      ILE  63  11.059  -1.110  -7.950
  487   HD11  ILE  63          3HD1      ILE  63   8.953  -4.688  -9.386
  488   HD12  ILE  63          1HD1      ILE  63   8.110  -3.118  -9.437
  489   HD13  ILE  63          2HD1      ILE  63   8.105  -4.176 -10.855
  490    H    LYS  64           H        LYS  64  11.632  -1.898 -12.337
  491    HA   LYS  64           HA       LYS  64  11.712   1.049 -12.080
  492    HB2  LYS  64           1HB      LYS  64  12.615   1.393 -14.283
  493    HB3  LYS  64           2HB      LYS  64  13.768   0.529 -13.266
  494    HG2  LYS  64           1HG      LYS  64  13.170  -1.609 -14.404
  495    HG3  LYS  64           2HG      LYS  64  11.972  -0.754 -15.378
  496    HD2  LYS  64           1HD      LYS  64  13.954  -1.097 -16.716
  497    HD3  LYS  64           2HD      LYS  64  13.716   0.619 -16.416
  498    HE2  LYS  64           1HE      LYS  64  16.057   0.163 -16.237
  499    HE3  LYS  64           2HE      LYS  64  15.460   0.545 -14.623
  500    HZ1  LYS  64           3HZ      LYS  64  15.439  -1.857 -14.147
  501    HZ2  LYS  64           1HZ      LYS  64  16.929  -1.400 -14.624
  502    HZ3  LYS  64           2HZ      LYS  64  15.958  -2.203 -15.659
  503    H    GLN  65           H        GLN  65  10.118   2.119 -13.219
  504    HA   GLN  65           HA       GLN  65   7.758   0.408 -13.791
  505    HB2  GLN  65           1HB      GLN  65   7.906   3.425 -13.445
  506    HB3  GLN  65           2HB      GLN  65   6.454   2.424 -13.521
  507    HG2  GLN  65           1HG      GLN  65   8.528   2.445 -11.290
  508    HG3  GLN  65           2HG      GLN  65   6.888   3.073 -11.236
  509   HE21  GLN  65          1HE2      GLN  65   5.057   1.407 -11.524
  510   HE22  GLN  65          2HE2      GLN  65   5.380  -0.198 -10.893
  511    H    HIS  66           H        HIS  66   6.335   1.073 -15.689
  512    HA   HIS  66           HA       HIS  66   7.683   2.677 -17.740
  513    HB2  HIS  66           1HB      HIS  66   7.435   1.152 -19.540
  514    HB3  HIS  66           2HB      HIS  66   8.362   0.358 -18.277
  515    HD1  HIS  66           1HD      HIS  66   7.111  -1.745 -17.042
  516    HD2  HIS  66           2HD      HIS  66   5.040   0.135 -20.187
  517    HE1  HIS  66           1HE      HIS  66   5.184  -3.298 -17.659
  518    H    CYS  67           H        CYS  67   6.423   3.671 -19.205
  519    HA   CYS  67           HA       CYS  67   3.572   4.060 -18.626
  520    HB2  CYS  67           1HB      CYS  67   5.115   5.901 -19.216
  521    HB3  CYS  67           2HB      CYS  67   5.473   5.108 -20.759
  522    H    ARG  68           H        ARG  68   1.983   2.873 -19.531
  523    HA   ARG  68           HA       ARG  68   2.609   0.884 -21.593
  524    HB2  ARG  68           1HB      ARG  68   0.446   0.034 -21.370
  525    HB3  ARG  68           2HB      ARG  68   1.055   0.352 -19.766
  526    HG2  ARG  68           1HG      ARG  68  -0.988   2.027 -21.307
  527    HG3  ARG  68           2HG      ARG  68  -1.334   0.883 -20.019
  528    HD2  ARG  68           1HD      ARG  68   0.102   3.543 -19.746
  529    HD3  ARG  68           2HD      ARG  68  -1.508   3.111 -19.178
  530    HE   ARG  68           HE       ARG  68   0.695   1.469 -18.093
  531   HH11  ARG  68          2HH1      ARG  68  -1.509   4.101 -17.434
  532   HH12  ARG  68          1HH1      ARG  68  -1.202   4.043 -15.718
  533   HH21  ARG  68          2HH2      ARG  68   1.113   1.510 -15.920
  534   HH22  ARG  68          1HH2      ARG  68   0.247   2.612 -14.894
  535    H    PHE  69           H        PHE  69   1.626   4.153 -21.740
  536    HA   PHE  69           HA       PHE  69   0.183   3.902 -24.279
  537    HB2  PHE  69           1HB      PHE  69   1.077   6.362 -22.768
  538    HB3  PHE  69           2HB      PHE  69  -0.086   6.313 -24.076
  539    HD1  PHE  69           2HD      PHE  69  -2.168   4.634 -23.630
  540    HD2  PHE  69           1HD      PHE  69   0.260   6.473 -20.576
  541    HE1  PHE  69           2HE      PHE  69  -4.026   4.391 -21.998
  542    HE2  PHE  69           1HE      PHE  69  -1.613   6.272 -18.964
  543    HZ   PHE  69           HZ       PHE  69  -3.758   5.223 -19.668
  544    H    CYS  70           H        CYS  70   3.422   4.984 -23.274
  545    HA   CYS  70           HA       CYS  70   4.237   5.126 -26.139
  546    HB2  CYS  70           1HB      CYS  70   5.587   7.053 -25.727
  547    HB3  CYS  70           2HB      CYS  70   3.897   7.372 -25.349
  548    H    LYS  71           H        LYS  71   4.712   3.319 -23.499
  549    HA   LYS  71           HA       LYS  71   6.221   1.792 -22.814
  550    HB2  LYS  71           1HB      LYS  71   7.405   1.944 -25.592
  551    HB3  LYS  71           2HB      LYS  71   7.524   0.611 -24.451
  552    HG2  LYS  71           1HG      LYS  71   5.004   1.559 -25.871
  553    HG3  LYS  71           2HG      LYS  71   5.920   0.083 -26.175
  554    HD2  LYS  71           1HD      LYS  71   5.392  -0.670 -23.824
  555    HD3  LYS  71           2HD      LYS  71   4.312   0.719 -23.653
  556    HE2  LYS  71           1HE      LYS  71   4.067  -1.445 -25.793
  557    HE3  LYS  71           2HE      LYS  71   3.180  -1.442 -24.267
  558    HZ1  LYS  71           3HZ      LYS  71   1.845  -0.510 -26.057
  559    HZ2  LYS  71           1HZ      LYS  71   2.937   0.662 -26.352
  560    HZ3  LYS  71           2HZ      LYS  71   2.113   0.637 -24.930
  561    H    LYS  72           H        LYS  72   7.006   4.720 -22.646
  562    HA   LYS  72           HA       LYS  72   9.884   4.790 -22.394
  563    HB2  LYS  72           1HB      LYS  72   8.286   6.769 -22.724
  564    HB3  LYS  72           2HB      LYS  72   7.793   6.565 -21.061
  565    HG2  LYS  72           1HG      LYS  72  10.063   7.014 -20.264
  566    HG3  LYS  72           2HG      LYS  72  10.692   7.026 -21.923
  567    HD2  LYS  72           1HD      LYS  72   9.477   9.062 -22.446
  568    HD3  LYS  72           2HD      LYS  72   8.596   8.992 -20.915
  569    HE2  LYS  72           1HE      LYS  72  10.866   9.093 -19.728
  570    HE3  LYS  72           2HE      LYS  72  11.596   9.417 -21.305
  571    HZ1  LYS  72           3HZ      LYS  72   9.586  11.104 -19.907
  572    HZ2  LYS  72           1HZ      LYS  72  10.131  11.411 -21.429
  573    HZ3  LYS  72           2HZ      LYS  72  11.152  11.482 -20.158
  574    H    LYS  73           H        LYS  73  11.179   4.533 -20.578
  575    HA   LYS  73           HA       LYS  73   9.966   3.084 -18.267
  576    HB2  LYS  73           1HB      LYS  73  12.779   3.161 -19.384
  577    HB3  LYS  73           2HB      LYS  73  12.462   2.664 -17.725
  578    HG2  LYS  73           1HG      LYS  73  12.579   0.696 -19.071
  579    HG3  LYS  73           2HG      LYS  73  10.925   0.894 -18.492
  580    HD2  LYS  73           1HD      LYS  73  10.246   1.777 -20.695
  581    HD3  LYS  73           2HD      LYS  73  11.921   1.647 -21.279
  582    HE2  LYS  73           1HE      LYS  73  11.760  -0.835 -20.892
  583    HE3  LYS  73           2HE      LYS  73  10.081  -0.605 -20.373
  584    HZ1  LYS  73           3HZ      LYS  73  10.063  -1.167 -22.698
  585    HZ2  LYS  73           1HZ      LYS  73  11.187  -0.044 -23.073
  586    HZ3  LYS  73           2HZ      LYS  73   9.698   0.438 -22.620
  587    H    TYR  74           H        TYR  74  10.311   3.582 -16.200
  588    HA   TYR  74           HA       TYR  74  11.138   6.385 -15.560
  589    HB2  TYR  74           1HB      TYR  74   8.452   5.053 -15.218
  590    HB3  TYR  74           2HB      TYR  74   8.985   6.236 -14.033
  591    HD1  TYR  74           1HD      TYR  74   8.054   5.786 -17.622
  592    HD2  TYR  74           2HD      TYR  74   9.271   8.555 -14.542
  593    HE1  TYR  74           1HE      TYR  74   7.640   7.687 -19.172
  594    HE2  TYR  74           2HE      TYR  74   8.891  10.460 -16.114
  595    HH   TYR  74           HH       TYR  74   7.598   9.986 -19.385
  596    H    SER  75           H        SER  75  12.318   6.652 -13.833
  597    HA   SER  75           HA       SER  75  13.137   4.392 -12.185
  598    HB2  SER  75           1HB      SER  75  14.700   6.082 -11.223
  599    HB3  SER  75           2HB      SER  75  14.799   5.934 -12.986
  600    HG   SER  75           HG       SER  75  14.740   8.134 -12.286
  601    H    ASP  76           H        ASP  76  10.706   6.793 -11.864
  602    HA   ASP  76           HA       ASP  76  10.148   5.861  -9.107
  603    HB2  ASP  76           1HB      ASP  76  11.284   8.225  -9.199
  604    HB3  ASP  76           2HB      ASP  76   9.746   8.779  -9.832
  605    H    VAL  77           H        VAL  77   8.020   5.359  -8.825
  606    HA   VAL  77           HA       VAL  77   6.175   5.365 -11.039
  607    HB   VAL  77           HB       VAL  77   6.136   3.775  -9.104
  608   HG11  VAL  77          1HG1      VAL  77   6.379   5.410  -7.232
  609   HG12  VAL  77          2HG1      VAL  77   4.723   5.977  -7.553
  610   HG13  VAL  77          3HG1      VAL  77   5.010   4.306  -7.046
  611   HG21  VAL  77          3HG2      VAL  77   3.507   5.217  -9.617
  612   HG22  VAL  77          1HG2      VAL  77   4.243   4.002 -10.683
  613   HG23  VAL  77          2HG2      VAL  77   3.715   3.547  -9.053
  614    H    LYS  78           H        LYS  78   6.750   7.695  -8.388
  615    HA   LYS  78           HA       LYS  78   4.364   9.264  -8.808
  616    HB2  LYS  78           1HB      LYS  78   7.097  10.077  -7.726
  617    HB3  LYS  78           2HB      LYS  78   5.633  11.064  -7.637
  618    HG2  LYS  78           1HG      LYS  78   4.502   9.330  -6.297
  619    HG3  LYS  78           2HG      LYS  78   5.947   8.305  -6.366
  620    HD2  LYS  78           1HD      LYS  78   7.263  10.104  -5.252
  621    HD3  LYS  78           2HD      LYS  78   5.796  11.075  -5.088
  622    HE2  LYS  78           1HE      LYS  78   6.208   8.283  -3.913
  623    HE3  LYS  78           2HE      LYS  78   6.468   9.787  -3.027
  624    HZ1  LYS  78           3HZ      LYS  78   3.860   8.912  -4.148
  625    HZ2  LYS  78           1HZ      LYS  78   4.113  10.325  -3.360
  626    HZ3  LYS  78           2HZ      LYS  78   4.272   8.908  -2.571
  627    H    ASN  79           H        ASN  79   7.559   9.385 -10.387
  628    HA   ASN  79           HA       ASN  79   6.827  11.703 -11.992
  629    HB2  ASN  79           1HB      ASN  79   9.108   9.680 -12.140
  630    HB3  ASN  79           2HB      ASN  79   8.913  10.968 -13.324
  631   HD21  ASN  79          1HD2      ASN  79  11.145  10.563 -11.427
  632   HD22  ASN  79          2HD2      ASN  79  11.200  12.065 -10.518
  633    H    LEU  80           H        LEU  80   6.479   8.197 -12.460
  634    HA   LEU  80           HA       LEU  80   5.644   8.335 -15.192
  635    HB2  LEU  80           1HB      LEU  80   6.219   6.224 -14.013
  636    HB3  LEU  80           2HB      LEU  80   4.795   6.430 -12.982
  637    HG   LEU  80           HG       LEU  80   3.293   6.205 -14.893
  638   HD11  LEU  80          1HD1      LEU  80   4.122   5.442 -17.051
  639   HD12  LEU  80          2HD1      LEU  80   5.806   5.603 -16.497
  640   HD13  LEU  80          3HD1      LEU  80   4.774   7.038 -16.705
  641   HD21  LEU  80          3HD2      LEU  80   3.999   4.209 -13.594
  642   HD22  LEU  80          1HD2      LEU  80   5.321   3.949 -14.760
  643   HD23  LEU  80          2HD2      LEU  80   3.629   3.828 -15.285
  644    H    ILE  81           H        ILE  81   3.742   8.653 -12.122
  645    HA   ILE  81           HA       ILE  81   1.210   8.995 -13.369
  646    HB   ILE  81           HB       ILE  81   2.038  10.432 -10.832
  647   HG12  ILE  81          1HG1      ILE  81   2.733   8.302 -10.349
  648   HG13  ILE  81          2HG1      ILE  81   1.203   8.477  -9.582
  649   HG21  ILE  81          1HG2      ILE  81  -0.361  10.111 -10.260
  650   HG22  ILE  81          2HG2      ILE  81  -0.134  11.088 -11.714
  651   HG23  ILE  81          3HG2      ILE  81  -0.629   9.388 -11.863
  652   HD11  ILE  81          3HD1      ILE  81   0.102   7.167 -11.411
  653   HD12  ILE  81          1HD1      ILE  81   1.705   6.894 -12.133
  654   HD13  ILE  81          2HD1      ILE  81   1.336   6.249 -10.525
  655    H    LYS  82           H        LYS  82   3.602  11.466 -12.376
  656    HA   LYS  82           HA       LYS  82   2.215  13.753 -13.307
  657    HB2  LYS  82           1HB      LYS  82   4.148  13.760 -11.785
  658    HB3  LYS  82           2HB      LYS  82   5.197  13.165 -13.076
  659    HG2  LYS  82           1HG      LYS  82   4.979  15.261 -14.304
  660    HG3  LYS  82           2HG      LYS  82   3.736  15.836 -13.180
  661    HD2  LYS  82           1HD      LYS  82   5.911  16.889 -12.719
  662    HD3  LYS  82           2HD      LYS  82   5.353  15.919 -11.350
  663    HE2  LYS  82           1HE      LYS  82   6.848  14.055 -12.080
  664    HE3  LYS  82           2HE      LYS  82   7.422  15.049 -13.426
  665    HZ1  LYS  82           3HZ      LYS  82   7.723  15.760 -10.554
  666    HZ2  LYS  82           1HZ      LYS  82   8.349  16.597 -11.815
  667    HZ3  LYS  82           2HZ      LYS  82   8.892  15.090 -11.463
  668    H    HIS  83           H        HIS  83   4.497  11.649 -15.099
  669    HA   HIS  83           HA       HIS  83   4.343  12.990 -17.633
  670    HB2  HIS  83           1HB      HIS  83   6.072  11.405 -17.242
  671    HB3  HIS  83           2HB      HIS  83   4.948  10.151 -16.742
  672    HD1  HIS  83           1HD      HIS  83   5.933  11.981 -20.006
  673    HD2  HIS  83           2HD      HIS  83   4.034   8.522 -18.548
  674    HE1  HIS  83           1HE      HIS  83   5.578  10.493 -22.029
  675    H    ILE  84           H        ILE  84   2.295  10.292 -16.358
  676    HA   ILE  84           HA       ILE  84   0.650  10.148 -18.705
  677    HB   ILE  84           HB       ILE  84   0.246   9.358 -15.821
  678   HG12  ILE  84          1HG1      ILE  84   0.526   7.569 -18.266
  679   HG13  ILE  84          2HG1      ILE  84   1.928   8.169 -17.388
  680   HG21  ILE  84          1HG2      ILE  84  -1.761   8.051 -16.553
  681   HG22  ILE  84          2HG2      ILE  84  -2.014   9.780 -16.695
  682   HG23  ILE  84          3HG2      ILE  84  -1.656   8.819 -18.148
  683   HD11  ILE  84          3HD1      ILE  84   1.406   5.973 -16.560
  684   HD12  ILE  84          1HD1      ILE  84   1.063   7.170 -15.288
  685   HD13  ILE  84          2HD1      ILE  84  -0.269   6.438 -16.207
  686    H    ARG  85           H        ARG  85   0.254  12.064 -15.717
  687    HA   ARG  85           HA       ARG  85  -2.177  13.398 -16.457
  688    HB2  ARG  85           1HB      ARG  85   0.121  14.200 -14.619
  689    HB3  ARG  85           2HB      ARG  85  -1.361  15.145 -14.789
  690    HG2  ARG  85           1HG      ARG  85  -2.717  13.221 -14.077
  691    HG3  ARG  85           2HG      ARG  85  -1.275  12.225 -13.920
  692    HD2  ARG  85           1HD      ARG  85  -1.893  12.965 -11.729
  693    HD3  ARG  85           2HD      ARG  85  -0.383  13.770 -12.194
  694    HE   ARG  85           HE       ARG  85  -2.677  15.398 -12.866
  695   HH11  ARG  85          2HH1      ARG  85  -0.814  14.470 -10.046
  696   HH12  ARG  85          1HH1      ARG  85  -1.228  15.927  -9.183
  697   HH21  ARG  85          2HH2      ARG  85  -3.158  17.234 -11.712
  698   HH22  ARG  85          1HH2      ARG  85  -2.526  17.442 -10.105
  699    H    ASP  86           H        ASP  86   1.055  14.034 -17.559
  700    HA   ASP  86           HA       ASP  86   0.289  16.671 -18.717
  701    HB2  ASP  86           1HB      ASP  86   2.940  15.221 -18.434
  702    HB3  ASP  86           2HB      ASP  86   2.743  16.691 -19.378
  703    H    ALA  87           H        ALA  87   1.507  13.505 -19.881
  704    HA   ALA  87           HA       ALA  87   1.264  14.400 -22.688
  705    HB1  ALA  87           1HB      ALA  87   3.371  13.415 -21.844
  706    HB2  ALA  87           2HB      ALA  87   2.512  11.911 -21.447
  707    HB3  ALA  87           3HB      ALA  87   2.655  12.433 -23.137
  708    H    HIS  88           H        HIS  88  -0.361  12.173 -20.481
  709    HA   HIS  88           HA       HIS  88  -2.029  11.089 -22.709
  710    HB2  HIS  88           1HB      HIS  88  -0.993   9.570 -20.303
  711    HB3  HIS  88           2HB      HIS  88  -1.857   8.930 -21.688
  712    HD1  HIS  88           1HD      HIS  88  -0.213   9.655 -24.143
  713    HD2  HIS  88           2HD      HIS  88   1.444   8.884 -20.362
  714    HE1  HIS  88           1HE      HIS  88   2.196   8.960 -24.576
  715    H    ASP  89           H        ASP  89  -2.687  13.293 -20.876
  716    HA   ASP  89           HA       ASP  89  -3.995  12.686 -18.613
  717    HB2  ASP  89           1HB      ASP  89  -5.091  14.794 -18.693
  718    HB3  ASP  89           2HB      ASP  89  -3.484  14.948 -19.387
  719    HA   PRO  90           HA       PRO  90  -7.626  10.388 -19.768
  720    HB2  PRO  90           1HB      PRO  90  -8.908  10.177 -17.366
  721    HB3  PRO  90           2HB      PRO  90  -7.385   9.312 -17.745
  722    HG2  PRO  90           1HG      PRO  90  -7.725  11.914 -16.224
  723    HG3  PRO  90           2HG      PRO  90  -6.720  10.498 -15.786
  724    HD2  PRO  90           1HD      PRO  90  -5.690  12.707 -17.032
  725    HD3  PRO  90           2HD      PRO  90  -5.066  11.065 -17.368
  726    H    GLN  91           H        GLN  91  -9.599  10.816 -20.573
  727    HA   GLN  91           HA       GLN  91 -11.209  13.117 -19.602
  728    HB2  GLN  91           1HB      GLN  91 -10.482  12.656 -22.526
  729    HB3  GLN  91           2HB      GLN  91 -11.647  13.838 -21.910
  730    HG2  GLN  91           1HG      GLN  91  -9.797  14.960 -20.640
  731    HG3  GLN  91           2HG      GLN  91  -8.651  13.809 -21.331
  732   HE21  GLN  91          1HE2      GLN  91  -7.554  15.825 -22.046
  733   HE22  GLN  91          2HE2      GLN  91  -8.105  16.548 -23.568
  734    H    ASP  92           H        ASP  92 -13.211  12.489 -19.249
  735    HA   ASP  92           HA       ASP  92 -14.229   9.877 -20.069
  736    HB2  ASP  92           1HB      ASP  92 -14.599  10.767 -17.818
  737    HB3  ASP  92           2HB      ASP  92 -15.499  12.130 -18.477
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1 -23.888 -19.905 -11.347
    2    H2   GLY   1           2H       GLY   1 -24.196 -20.907 -10.087
    3    H3   GLY   1           3H       GLY   1 -24.641 -19.335 -10.008
    4    HA2  GLY   1           1HA      GLY   1 -26.240 -19.623 -11.778
    5    HA3  GLY   1           2HA      GLY   1 -25.746 -21.323 -11.889
    6    H    SER   2           H        SER   2 -28.406 -20.256 -11.333
    7    HA   SER   2           HA       SER   2 -29.079 -20.173  -8.611
    8    HB2  SER   2           1HB      SER   2 -30.869 -20.968 -10.936
    9    HB3  SER   2           2HB      SER   2 -31.386 -20.307  -9.372
   10    HG   SER   2           HG       SER   2 -31.276 -18.688 -11.000
   11    H    SER   3           H        SER   3 -28.343 -23.038 -10.374
   12    HA   SER   3           HA       SER   3 -29.879 -24.923  -8.774
   13    HB2  SER   3           1HB      SER   3 -28.388 -26.584  -9.893
   14    HB3  SER   3           2HB      SER   3 -29.250 -25.516 -11.014
   15    HG   SER   3           HG       SER   3 -27.013 -25.747 -11.545
   16    H    GLY   4           H        GLY   4 -27.044 -23.089  -8.135
   17    HA2  GLY   4           1HA      GLY   4 -26.299 -24.839  -5.810
   18    HA3  GLY   4           2HA      GLY   4 -25.114 -23.989  -6.794
   19    H    SER   5           H        SER   5 -24.584 -23.306  -4.548
   20    HA   SER   5           HA       SER   5 -24.344 -21.779  -2.912
   21    HB2  SER   5           1HB      SER   5 -25.757 -19.876  -4.804
   22    HB3  SER   5           2HB      SER   5 -24.797 -19.423  -3.390
   23    HG   SER   5           HG       SER   5 -23.578 -19.346  -5.340
   24    H    SER   6           H        SER   6 -25.460 -20.057  -1.465
   25    HA   SER   6           HA       SER   6 -28.312 -20.557  -0.941
   26    HB2  SER   6           1HB      SER   6 -26.988 -22.348   0.286
   27    HB3  SER   6           2HB      SER   6 -26.259 -21.047   1.249
   28    HG   SER   6           HG       SER   6 -28.155 -21.994   2.216
   29    H    GLY   7           H        GLY   7 -29.127 -19.111   0.798
   30    HA2  GLY   7           1HA      GLY   7 -28.313 -16.376   0.351
   31    HA3  GLY   7           2HA      GLY   7 -29.541 -16.930   1.486
   32    H    LYS   8           H        LYS   8 -27.395 -14.914   1.720
   33    HA   LYS   8           HA       LYS   8 -25.656 -15.870   3.899
   34    HB2  LYS   8           1HB      LYS   8 -25.436 -13.660   1.855
   35    HB3  LYS   8           2HB      LYS   8 -24.243 -13.936   3.116
   36    HG2  LYS   8           1HG      LYS   8 -23.670 -16.121   2.217
   37    HG3  LYS   8           2HG      LYS   8 -24.989 -16.043   1.048
   38    HD2  LYS   8           1HD      LYS   8 -23.910 -14.092  -0.047
   39    HD3  LYS   8           2HD      LYS   8 -22.580 -14.174   1.128
   40    HE2  LYS   8           1HE      LYS   8 -22.053 -16.482   0.363
   41    HE3  LYS   8           2HE      LYS   8 -23.379 -16.400  -0.802
   42    HZ1  LYS   8           3HZ      LYS   8 -22.215 -14.556  -1.896
   43    HZ2  LYS   8           1HZ      LYS   8 -21.248 -15.869  -1.843
   44    HZ3  LYS   8           2HZ      LYS   8 -20.991 -14.628  -0.815
   45    HA   PRO   9           HA       PRO   9 -28.511 -12.846   5.993
   46    HB2  PRO   9           1HB      PRO   9 -29.097 -14.331   8.226
   47    HB3  PRO   9           2HB      PRO   9 -29.894 -14.529   6.646
   48    HG2  PRO   9           1HG      PRO   9 -27.694 -16.200   7.750
   49    HG3  PRO   9           2HG      PRO   9 -29.216 -16.735   6.985
   50    HD2  PRO   9           1HD      PRO   9 -26.856 -16.512   5.586
   51    HD3  PRO   9           2HD      PRO   9 -28.441 -16.202   4.843
   52    H    TYR  10           H        TYR  10 -25.716 -14.624   7.297
   53    HA   TYR  10           HA       TYR  10 -25.514 -12.898   9.623
   54    HB2  TYR  10           1HB      TYR  10 -23.631 -15.007   8.538
   55    HB3  TYR  10           2HB      TYR  10 -23.476 -14.210  10.091
   56    HD1  TYR  10           1HD      TYR  10 -25.497 -16.596   8.101
   57    HD2  TYR  10           2HD      TYR  10 -24.959 -14.766  11.964
   58    HE1  TYR  10           1HE      TYR  10 -26.917 -18.345   9.108
   59    HE2  TYR  10           2HE      TYR  10 -26.435 -16.499  12.982
   60    HH   TYR  10           HH       TYR  10 -27.695 -18.381  12.622
   61    H    LYS  11           H        LYS  11 -24.967 -10.837   9.315
   62    HA   LYS  11           HA       LYS  11 -23.082 -10.007   7.180
   63    HB2  LYS  11           1HB      LYS  11 -24.608  -8.193   9.066
   64    HB3  LYS  11           2HB      LYS  11 -23.890  -7.790   7.515
   65    HG2  LYS  11           1HG      LYS  11 -26.385  -9.444   8.027
   66    HG3  LYS  11           2HG      LYS  11 -26.281  -7.834   7.328
   67    HD2  LYS  11           1HD      LYS  11 -25.085  -8.768   5.350
   68    HD3  LYS  11           2HD      LYS  11 -25.266 -10.404   6.035
   69    HE2  LYS  11           1HE      LYS  11 -27.732 -10.110   6.071
   70    HE3  LYS  11           2HE      LYS  11 -27.554  -8.495   5.375
   71    HZ1  LYS  11           3HZ      LYS  11 -26.778 -11.044   4.051
   72    HZ2  LYS  11           1HZ      LYS  11 -26.548  -9.549   3.401
   73    HZ3  LYS  11           2HZ      LYS  11 -28.059 -10.110   3.654
   74    H    CYS  12           H        CYS  12 -21.254  -8.719   7.477
   75    HA   CYS  12           HA       CYS  12 -19.871  -8.911  10.028
   76    HB2  CYS  12           1HB      CYS  12 -18.737  -9.225   7.940
   77    HB3  CYS  12           2HB      CYS  12 -19.191  -7.602   7.393
   78    HA   PRO  13           HA       PRO  13 -21.490  -4.847  11.290
   79    HB2  PRO  13           1HB      PRO  13 -20.243  -4.648  13.712
   80    HB3  PRO  13           2HB      PRO  13 -21.604  -5.769  13.406
   81    HG2  PRO  13           1HG      PRO  13 -18.654  -6.374  13.521
   82    HG3  PRO  13           2HG      PRO  13 -20.016  -7.323  14.176
   83    HD2  PRO  13           1HD      PRO  13 -18.763  -7.791  11.700
   84    HD3  PRO  13           2HD      PRO  13 -20.410  -8.332  12.124
   85    H    GLN  14           H        GLN  14 -18.359  -5.674  10.288
   86    HA   GLN  14           HA       GLN  14 -17.229  -2.950  10.771
   87    HB2  GLN  14           1HB      GLN  14 -15.678  -5.502  10.265
   88    HB3  GLN  14           2HB      GLN  14 -15.093  -3.955  10.873
   89    HG2  GLN  14           1HG      GLN  14 -16.733  -4.333  12.849
   90    HG3  GLN  14           2HG      GLN  14 -16.861  -5.996  12.265
   91   HE21  GLN  14          1HE2      GLN  14 -14.392  -3.604  13.416
   92   HE22  GLN  14          2HE2      GLN  14 -13.362  -4.860  14.088
   93    H    CYS  15           H        CYS  15 -17.893  -5.324   8.219
   94    HA   CYS  15           HA       CYS  15 -17.380  -3.180   6.244
   95    HB2  CYS  15           1HB      CYS  15 -15.949  -4.477   4.837
   96    HB3  CYS  15           2HB      CYS  15 -15.242  -4.421   6.447
   97    H    SER  16           H        SER  16 -17.835  -4.323   3.916
   98    HA   SER  16           HA       SER  16 -20.686  -4.698   3.887
   99    HB2  SER  16           1HB      SER  16 -18.689  -4.994   1.616
  100    HB3  SER  16           2HB      SER  16 -20.440  -4.754   1.463
  101    HG   SER  16           HG       SER  16 -19.276  -2.789   1.224
  102    H    TYR  17           H        TYR  17 -18.458  -7.027   4.636
  103    HA   TYR  17           HA       TYR  17 -19.121  -9.251   3.011
  104    HB2  TYR  17           1HB      TYR  17 -17.132  -9.112   4.374
  105    HB3  TYR  17           2HB      TYR  17 -18.075  -9.027   5.844
  106    HD1  TYR  17           1HD      TYR  17 -16.963 -11.208   3.046
  107    HD2  TYR  17           2HD      TYR  17 -18.938 -11.105   6.884
  108    HE1  TYR  17           1HE      TYR  17 -16.644 -13.669   3.289
  109    HE2  TYR  17           2HE      TYR  17 -18.585 -13.558   7.131
  110    HH   TYR  17           HH       TYR  17 -17.507 -15.395   6.291
  111    H    ALA  18           H        ALA  18 -20.419 -10.992   3.235
  112    HA   ALA  18           HA       ALA  18 -22.271 -11.283   5.482
  113    HB1  ALA  18           1HB      ALA  18 -24.230 -11.523   4.024
  114    HB2  ALA  18           2HB      ALA  18 -23.530  -9.901   3.837
  115    HB3  ALA  18           3HB      ALA  18 -23.250 -11.139   2.593
  116    H    SER  19           H        SER  19 -22.918 -13.441   5.810
  117    HA   SER  19           HA       SER  19 -21.831 -15.536   4.005
  118    HB2  SER  19           1HB      SER  19 -20.836 -16.591   6.002
  119    HB3  SER  19           2HB      SER  19 -20.122 -15.027   5.627
  120    HG   SER  19           HG       SER  19 -21.576 -14.156   7.257
  121    H    ALA  20           H        ALA  20 -23.090 -17.310   3.790
  122    HA   ALA  20           HA       ALA  20 -25.562 -17.773   4.959
  123    HB1  ALA  20           1HB      ALA  20 -24.748 -18.686   2.843
  124    HB2  ALA  20           2HB      ALA  20 -23.646 -19.768   3.737
  125    HB3  ALA  20           3HB      ALA  20 -25.411 -19.933   3.907
  126    H    ILE  21           H        ILE  21 -22.616 -18.245   6.626
  127    HA   ILE  21           HA       ILE  21 -23.837 -20.160   8.580
  128    HB   ILE  21           HB       ILE  21 -21.097 -20.334   7.257
  129   HG12  ILE  21          1HG1      ILE  21 -23.521 -22.184   7.039
  130   HG13  ILE  21          2HG1      ILE  21 -22.886 -21.144   5.764
  131   HG21  ILE  21          1HG2      ILE  21 -20.975 -21.012   9.611
  132   HG22  ILE  21          2HG2      ILE  21 -22.310 -22.165   9.372
  133   HG23  ILE  21          3HG2      ILE  21 -20.735 -22.379   8.565
  134   HD11  ILE  21          3HD1      ILE  21 -22.188 -23.342   5.253
  135   HD12  ILE  21          1HD1      ILE  21 -20.747 -22.455   5.792
  136   HD13  ILE  21          2HD1      ILE  21 -21.551 -23.621   6.877
  137    H    LYS  22           H        LYS  22 -23.539 -19.497  10.696
  138    HA   LYS  22           HA       LYS  22 -22.236 -17.038  11.292
  139    HB2  LYS  22           1HB      LYS  22 -24.042 -18.043  12.657
  140    HB3  LYS  22           2HB      LYS  22 -22.871 -19.201  13.320
  141    HG2  LYS  22           1HG      LYS  22 -21.497 -17.386  14.201
  142    HG3  LYS  22           2HG      LYS  22 -22.468 -16.163  13.359
  143    HD2  LYS  22           1HD      LYS  22 -24.410 -16.778  14.739
  144    HD3  LYS  22           2HD      LYS  22 -23.414 -17.936  15.640
  145    HE2  LYS  22           1HE      LYS  22 -22.949 -14.916  15.431
  146    HE3  LYS  22           2HE      LYS  22 -23.670 -15.739  16.814
  147    HZ1  LYS  22           3HZ      LYS  22 -21.557 -16.922  17.130
  148    HZ2  LYS  22           1HZ      LYS  22 -21.331 -15.312  17.203
  149    HZ3  LYS  22           2HZ      LYS  22 -20.864 -16.125  15.872
  150    H    ALA  23           H        ALA  23 -20.913 -20.358  11.534
  151    HA   ALA  23           HA       ALA  23 -18.427 -19.691  12.721
  152    HB1  ALA  23           1HB      ALA  23 -19.260 -21.998  12.369
  153    HB2  ALA  23           2HB      ALA  23 -18.990 -21.824  10.618
  154    HB3  ALA  23           3HB      ALA  23 -17.618 -21.772  11.739
  155    H    ASN  24           H        ASN  24 -19.472 -19.305   9.329
  156    HA   ASN  24           HA       ASN  24 -16.828 -18.478   8.401
  157    HB2  ASN  24           1HB      ASN  24 -19.604 -18.394   7.135
  158    HB3  ASN  24           2HB      ASN  24 -18.155 -17.824   6.345
  159   HD21  ASN  24          1HD2      ASN  24 -19.231 -19.585   4.843
  160   HD22  ASN  24          2HD2      ASN  24 -18.506 -21.174   5.026
  161    H    LEU  25           H        LEU  25 -19.588 -16.799   9.828
  162    HA   LEU  25           HA       LEU  25 -18.426 -14.160   9.322
  163    HB2  LEU  25           1HB      LEU  25 -20.812 -14.336   9.681
  164    HB3  LEU  25           2HB      LEU  25 -20.572 -15.074  11.263
  165    HG   LEU  25           HG       LEU  25 -19.548 -12.995  12.117
  166   HD11  LEU  25          1HD1      LEU  25 -18.581 -12.042  10.051
  167   HD12  LEU  25          2HD1      LEU  25 -19.689 -10.911  10.815
  168   HD13  LEU  25          3HD1      LEU  25 -20.212 -11.820   9.379
  169   HD21  LEU  25          3HD2      LEU  25 -22.004 -13.365  12.267
  170   HD22  LEU  25          1HD2      LEU  25 -22.202 -12.437  10.759
  171   HD23  LEU  25          2HD2      LEU  25 -21.551 -11.652  12.206
  172    H    ASN  26           H        ASN  26 -18.458 -16.376  12.168
  173    HA   ASN  26           HA       ASN  26 -16.916 -14.861  13.959
  174    HB2  ASN  26           1HB      ASN  26 -16.711 -17.866  13.453
  175    HB3  ASN  26           2HB      ASN  26 -16.167 -17.038  14.898
  176   HD21  ASN  26          1HD2      ASN  26 -17.765 -19.220  14.874
  177   HD22  ASN  26          2HD2      ASN  26 -19.320 -18.788  15.586
  178    H    VAL  27           H        VAL  27 -15.749 -17.094  11.404
  179    HA   VAL  27           HA       VAL  27 -12.983 -16.731  11.982
  180    HB   VAL  27           HB       VAL  27 -14.332 -18.544  10.598
  181   HG11  VAL  27          1HG1      VAL  27 -13.927 -18.594   8.265
  182   HG12  VAL  27          2HG1      VAL  27 -14.878 -17.163   8.659
  183   HG13  VAL  27          3HG1      VAL  27 -13.141 -17.001   8.294
  184   HG21  VAL  27          3HG2      VAL  27 -11.465 -17.717  10.113
  185   HG22  VAL  27          1HG2      VAL  27 -12.078 -18.744  11.441
  186   HG23  VAL  27          2HG2      VAL  27 -12.140 -19.337   9.771
  187    H    HIS  28           H        HIS  28 -15.134 -15.101   9.787
  188    HA   HIS  28           HA       HIS  28 -13.232 -13.636   8.295
  189    HB2  HIS  28           1HB      HIS  28 -15.451 -13.996   7.514
  190    HB3  HIS  28           2HB      HIS  28 -16.178 -13.229   8.918
  191    HD1  HIS  28           1HD      HIS  28 -14.478 -12.177   5.663
  192    HD2  HIS  28           2HD      HIS  28 -16.329 -10.596   9.085
  193    HE1  HIS  28           1HE      HIS  28 -14.644  -9.668   5.272
  194    H    LEU  29           H        LEU  29 -14.935 -12.762  11.322
  195    HA   LEU  29           HA       LEU  29 -14.102 -10.055  11.501
  196    HB2  LEU  29           1HB      LEU  29 -14.622 -12.085  13.706
  197    HB3  LEU  29           2HB      LEU  29 -14.514 -10.347  13.969
  198    HG   LEU  29           HG       LEU  29 -16.601 -11.570  12.130
  199   HD11  LEU  29          1HD1      LEU  29 -16.868 -12.497  14.406
  200   HD12  LEU  29          2HD1      LEU  29 -18.181 -11.384  13.997
  201   HD13  LEU  29          3HD1      LEU  29 -16.869 -10.850  15.075
  202   HD21  LEU  29          3HD2      LEU  29 -17.814  -9.503  12.565
  203   HD22  LEU  29          1HD2      LEU  29 -16.258  -9.167  11.797
  204   HD23  LEU  29          2HD2      LEU  29 -16.467  -8.883  13.540
  205    H    ARG  30           H        ARG  30 -12.215 -12.918  12.028
  206    HA   ARG  30           HA       ARG  30 -10.248 -11.989  13.841
  207    HB2  ARG  30           1HB      ARG  30  -9.980 -14.024  11.582
  208    HB3  ARG  30           2HB      ARG  30  -8.854 -13.837  12.920
  209    HG2  ARG  30           1HG      ARG  30 -10.642 -14.388  14.546
  210    HG3  ARG  30           2HG      ARG  30 -11.790 -14.597  13.210
  211    HD2  ARG  30           1HD      ARG  30 -10.387 -16.410  12.277
  212    HD3  ARG  30           2HD      ARG  30  -9.255 -16.221  13.634
  213    HE   ARG  30           HE       ARG  30 -11.873 -16.621  14.687
  214   HH11  ARG  30          2HH1      ARG  30  -9.420 -18.506  13.040
  215   HH12  ARG  30          1HH1      ARG  30  -9.962 -20.000  13.750
  216   HH21  ARG  30          2HH2      ARG  30 -12.504 -18.564  15.568
  217   HH22  ARG  30          1HH2      ARG  30 -11.667 -20.026  15.138
  218    H    LYS  31           H        LYS  31 -10.564 -11.242  10.461
  219    HA   LYS  31           HA       LYS  31  -7.825 -10.223  10.162
  220    HB2  LYS  31           1HB      LYS  31  -8.335  -9.813   7.960
  221    HB3  LYS  31           2HB      LYS  31  -9.314 -11.222   8.363
  222    HG2  LYS  31           1HG      LYS  31 -11.302  -9.634   8.629
  223    HG3  LYS  31           2HG      LYS  31 -10.254  -8.331   8.079
  224    HD2  LYS  31           1HD      LYS  31 -11.540  -9.073   6.199
  225    HD3  LYS  31           2HD      LYS  31  -9.849  -9.532   5.947
  226    HE2  LYS  31           1HE      LYS  31 -10.451 -11.856   6.813
  227    HE3  LYS  31           2HE      LYS  31 -12.140 -11.343   6.851
  228    HZ1  LYS  31           3HZ      LYS  31 -10.399 -11.434   4.431
  229    HZ2  LYS  31           1HZ      LYS  31 -11.949 -10.934   4.418
  230    HZ3  LYS  31           2HZ      LYS  31 -11.585 -12.493   4.766
  231    H    HIS  32           H        HIS  32 -10.777  -8.870  11.293
  232    HA   HIS  32           HA       HIS  32 -10.008  -6.079  10.788
  233    HB2  HIS  32           1HB      HIS  32 -12.396  -7.305  12.197
  234    HB3  HIS  32           2HB      HIS  32 -12.199  -5.594  11.824
  235    HD1  HIS  32           1HD      HIS  32 -11.440  -5.579   8.821
  236    HD2  HIS  32           2HD      HIS  32 -14.333  -8.025  10.636
  237    HE1  HIS  32           1HE      HIS  32 -13.084  -6.171   6.987
  238    H    THR  33           H        THR  33  -9.251  -8.234  13.331
  239    HA   THR  33           HA       THR  33  -9.311  -6.355  15.551
  240    HB   THR  33           HB       THR  33  -7.916  -8.014  16.711
  241    HG1  THR  33           1HG      THR  33  -7.343  -9.907  15.607
  242   HG21  THR  33          3HG2      THR  33  -9.449  -9.888  16.681
  243   HG22  THR  33          1HG2      THR  33 -10.090  -9.402  15.094
  244   HG23  THR  33          2HG2      THR  33 -10.381  -8.383  16.526
  245    H    GLY  34           H        GLY  34  -6.908  -7.311  13.175
  246    HA2  GLY  34           1HA      GLY  34  -4.776  -5.626  14.325
  247    HA3  GLY  34           2HA      GLY  34  -4.666  -6.769  12.992
  248    H    GLU  35           H        GLU  35  -3.511  -5.170  11.768
  249    HA   GLU  35           HA       GLU  35  -5.238  -3.124  10.432
  250    HB2  GLU  35           1HB      GLU  35  -2.421  -2.782  11.517
  251    HB3  GLU  35           2HB      GLU  35  -3.061  -1.767  10.214
  252    HG2  GLU  35           1HG      GLU  35  -4.903  -1.016  11.627
  253    HG3  GLU  35           2HG      GLU  35  -4.375  -2.068  12.939
  254    H    LYS  36           H        LYS  36  -5.007  -2.746   8.389
  255    HA   LYS  36           HA       LYS  36  -3.689  -4.874   6.781
  256    HB2  LYS  36           1HB      LYS  36  -6.021  -3.015   6.366
  257    HB3  LYS  36           2HB      LYS  36  -5.166  -3.655   4.964
  258    HG2  LYS  36           1HG      LYS  36  -5.992  -5.599   7.138
  259    HG3  LYS  36           2HG      LYS  36  -7.221  -4.949   6.062
  260    HD2  LYS  36           1HD      LYS  36  -5.769  -5.644   4.090
  261    HD3  LYS  36           2HD      LYS  36  -4.669  -6.431   5.239
  262    HE2  LYS  36           1HE      LYS  36  -6.571  -7.907   5.954
  263    HE3  LYS  36           2HE      LYS  36  -7.604  -7.097   4.767
  264    HZ1  LYS  36           3HZ      LYS  36  -6.746  -9.066   3.738
  265    HZ2  LYS  36           1HZ      LYS  36  -5.205  -8.744   4.170
  266    HZ3  LYS  36           2HZ      LYS  36  -5.930  -7.826   3.040
  267    H    PHE  37           H        PHE  37  -1.755  -4.492   6.352
  268    HA   PHE  37           HA       PHE  37  -0.724  -1.831   5.560
  269    HB2  PHE  37           1HB      PHE  37   0.658  -4.484   6.124
  270    HB3  PHE  37           2HB      PHE  37   1.460  -2.948   5.821
  271    HD1  PHE  37           2HD      PHE  37   0.994  -0.958   7.360
  272    HD2  PHE  37           1HD      PHE  37  -0.100  -5.011   8.346
  273    HE1  PHE  37           2HE      PHE  37   0.755  -0.315   9.748
  274    HE2  PHE  37           1HE      PHE  37  -0.324  -4.368  10.734
  275    HZ   PHE  37           HZ       PHE  37   0.098  -2.017  11.430
  276    H    ALA  38           H        ALA  38  -1.057  -1.307   3.503
  277    HA   ALA  38           HA       ALA  38  -1.280  -3.362   1.405
  278    HB1  ALA  38           1HB      ALA  38  -2.272  -1.564   0.088
  279    HB2  ALA  38           2HB      ALA  38  -3.046  -1.625   1.687
  280    HB3  ALA  38           3HB      ALA  38  -1.836  -0.372   1.323
  281    H    CYS  39           H        CYS  39  -0.094  -3.480  -0.505
  282    HA   CYS  39           HA       CYS  39   2.583  -2.408  -0.528
  283    HB2  CYS  39           1HB      CYS  39   1.870  -4.575  -1.332
  284    HB3  CYS  39           2HB      CYS  39   0.859  -3.825  -2.570
  285    H    ASP  40           H        ASP  40   3.442  -0.803  -1.659
  286    HA   ASP  40           HA       ASP  40   1.671   1.306  -2.732
  287    HB2  ASP  40           1HB      ASP  40   3.595   1.782  -1.172
  288    HB3  ASP  40           2HB      ASP  40   4.698   1.273  -2.449
  289    H    TYR  41           H        TYR  41   3.020  -1.493  -3.929
  290    HA   TYR  41           HA       TYR  41   3.587  -0.394  -6.661
  291    HB2  TYR  41           1HB      TYR  41   4.797  -2.793  -5.244
  292    HB3  TYR  41           2HB      TYR  41   5.147  -2.252  -6.865
  293    HD1  TYR  41           1HD      TYR  41   6.536  -0.190  -7.204
  294    HD2  TYR  41           2HD      TYR  41   5.536  -1.646  -3.275
  295    HE1  TYR  41           1HE      TYR  41   8.295   1.283  -6.210
  296    HE2  TYR  41           2HE      TYR  41   7.302  -0.177  -2.279
  297    HH   TYR  41           HH       TYR  41   8.940   1.374  -2.688
  298    H    CYS  42           H        CYS  42   1.833  -2.863  -4.867
  299    HA   CYS  42           HA       CYS  42   0.217  -3.311  -7.298
  300    HB2  CYS  42           1HB      CYS  42   0.112  -5.726  -7.049
  301    HB3  CYS  42           2HB      CYS  42   1.754  -5.173  -7.391
  302    H    SER  43           H        SER  43  -1.674  -4.996  -6.509
  303    HA   SER  43           HA       SER  43  -3.254  -3.485  -4.581
  304    HB2  SER  43           1HB      SER  43  -5.039  -5.084  -5.232
  305    HB3  SER  43           2HB      SER  43  -4.294  -4.256  -6.605
  306    HG   SER  43           HG       SER  43  -4.533  -6.522  -6.969
  307    H    PHE  44           H        PHE  44  -0.874  -5.601  -3.919
  308    HA   PHE  44           HA       PHE  44  -1.986  -7.577  -2.250
  309    HB2  PHE  44           1HB      PHE  44   0.224  -7.713  -3.068
  310    HB3  PHE  44           2HB      PHE  44   0.712  -6.230  -2.278
  311    HD1  PHE  44           2HD      PHE  44   0.005  -9.828  -1.804
  312    HD2  PHE  44           1HD      PHE  44   1.303  -6.181   0.103
  313    HE1  PHE  44           2HE      PHE  44   0.892 -11.137   0.113
  314    HE2  PHE  44           1HE      PHE  44   2.199  -7.493   2.003
  315    HZ   PHE  44           HZ       PHE  44   1.998  -9.974   2.013
  316    H    THR  45           H        THR  45  -2.213  -7.775  -0.061
  317    HA   THR  45           HA       THR  45  -1.631  -5.567   1.755
  318    HB   THR  45           HB       THR  45  -3.724  -5.760   2.958
  319    HG1  THR  45           1HG      THR  45  -4.704  -7.183   0.720
  320   HG21  THR  45          3HG2      THR  45  -5.155  -4.477   1.448
  321   HG22  THR  45          1HG2      THR  45  -4.117  -4.936   0.067
  322   HG23  THR  45          2HG2      THR  45  -3.457  -3.963   1.402
  323    H    CYS  46           H        CYS  46  -1.483  -6.144   3.913
  324    HA   CYS  46           HA       CYS  46  -1.608  -9.021   4.635
  325    HB2  CYS  46           1HB      CYS  46   0.682  -8.483   3.663
  326    HB3  CYS  46           2HB      CYS  46   0.965  -7.452   5.080
  327    HG   CYS  46           HG       CYS  46   2.115  -9.899   5.226
  328    H    LEU  47           H        LEU  47  -1.454  -9.444   6.901
  329    HA   LEU  47           HA       LEU  47  -2.662  -7.330   8.542
  330    HB2  LEU  47           1HB      LEU  47  -2.765 -10.245   8.392
  331    HB3  LEU  47           2HB      LEU  47  -2.368  -9.761  10.018
  332    HG   LEU  47           HG       LEU  47  -4.766 -10.080   9.691
  333   HD11  LEU  47          1HD1      LEU  47  -5.565  -8.062  10.757
  334   HD12  LEU  47          2HD1      LEU  47  -4.146  -7.152  10.212
  335   HD13  LEU  47          3HD1      LEU  47  -3.961  -8.469  11.390
  336   HD21  LEU  47          3HD2      LEU  47  -4.707  -7.679   7.816
  337   HD22  LEU  47          1HD2      LEU  47  -6.133  -8.572   8.370
  338   HD23  LEU  47          2HD2      LEU  47  -4.944  -9.376   7.327
  339    H    SER  48           H        SER  48   0.487  -8.114   7.948
  340    HA   SER  48           HA       SER  48   1.400  -6.971  10.552
  341    HB2  SER  48           1HB      SER  48   2.635  -9.345   9.113
  342    HB3  SER  48           2HB      SER  48   3.387  -8.468  10.454
  343    HG   SER  48           HG       SER  48   0.893  -9.851  10.535
  344    H    LYS  49           H        LYS  49   2.821  -5.375  10.384
  345    HA   LYS  49           HA       LYS  49   3.339  -4.157   7.855
  346    HB2  LYS  49           1HB      LYS  49   3.031  -3.157  10.230
  347    HB3  LYS  49           2HB      LYS  49   4.755  -3.466  10.458
  348    HG2  LYS  49           1HG      LYS  49   5.233  -2.038   8.457
  349    HG3  LYS  49           2HG      LYS  49   3.485  -1.785   8.250
  350    HD2  LYS  49           1HD      LYS  49   3.405  -0.810  10.574
  351    HD3  LYS  49           2HD      LYS  49   5.169  -0.895  10.639
  352    HE2  LYS  49           1HE      LYS  49   3.537   0.638   8.557
  353    HE3  LYS  49           2HE      LYS  49   4.214   1.353  10.020
  354    HZ1  LYS  49           3HZ      LYS  49   5.820   0.129   7.838
  355    HZ2  LYS  49           1HZ      LYS  49   6.440   0.764   9.213
  356    HZ3  LYS  49           2HZ      LYS  49   5.680   1.725   8.139
  357    H    GLY  50           H        GLY  50   5.431  -6.125   9.935
  358    HA2  GLY  50           1HA      GLY  50   7.871  -5.830   8.442
  359    HA3  GLY  50           2HA      GLY  50   7.454  -7.169   9.519
  360    H    HIS  51           H        HIS  51   5.057  -8.012   7.992
  361    HA   HIS  51           HA       HIS  51   6.356  -9.576   5.898
  362    HB2  HIS  51           1HB      HIS  51   3.454  -9.286   6.695
  363    HB3  HIS  51           2HB      HIS  51   4.070 -10.434   5.504
  364    HD1  HIS  51           1HD      HIS  51   2.586 -11.680   7.883
  365    HD2  HIS  51           2HD      HIS  51   6.720 -10.879   7.820
  366    HE1  HIS  51           1HE      HIS  51   3.640 -13.209   9.630
  367    H    LEU  52           H        LEU  52   4.283  -6.636   5.912
  368    HA   LEU  52           HA       LEU  52   4.094  -6.419   3.057
  369    HB2  LEU  52           1HB      LEU  52   2.705  -5.016   4.469
  370    HB3  LEU  52           2HB      LEU  52   4.121  -4.301   5.245
  371    HG   LEU  52           HG       LEU  52   4.811  -3.288   3.066
  372   HD11  LEU  52          1HD1      LEU  52   3.716  -4.857   1.496
  373   HD12  LEU  52          2HD1      LEU  52   3.200  -3.200   1.241
  374   HD13  LEU  52          3HD1      LEU  52   2.119  -4.332   2.084
  375   HD21  LEU  52          3HD2      LEU  52   1.985  -2.501   3.738
  376   HD22  LEU  52          1HD2      LEU  52   3.260  -1.511   3.025
  377   HD23  LEU  52          2HD2      LEU  52   3.409  -2.038   4.710
  378    H    LYS  53           H        LYS  53   6.632  -5.221   5.352
  379    HA   LYS  53           HA       LYS  53   8.368  -4.109   3.393
  380    HB2  LYS  53           1HB      LYS  53   8.755  -3.688   5.700
  381    HB3  LYS  53           2HB      LYS  53   8.828  -5.398   6.106
  382    HG2  LYS  53           1HG      LYS  53  10.950  -5.669   4.903
  383    HG3  LYS  53           2HG      LYS  53  10.855  -4.002   4.325
  384    HD2  LYS  53           1HD      LYS  53  12.351  -3.973   6.164
  385    HD3  LYS  53           2HD      LYS  53  10.828  -3.284   6.772
  386    HE2  LYS  53           1HE      LYS  53  10.247  -5.471   7.793
  387    HE3  LYS  53           2HE      LYS  53  11.731  -6.178   7.142
  388    HZ1  LYS  53           3HZ      LYS  53  13.003  -4.622   8.519
  389    HZ2  LYS  53           1HZ      LYS  53  12.015  -5.511   9.461
  390    HZ3  LYS  53           2HZ      LYS  53  11.635  -3.961   9.121
  391    H    VAL  54           H        VAL  54   8.342  -7.502   4.644
  392    HA   VAL  54           HA       VAL  54  10.394  -8.405   2.916
  393    HB   VAL  54           HB       VAL  54   8.072  -9.952   4.131
  394   HG11  VAL  54          1HG1      VAL  54   8.834 -11.301   2.264
  395   HG12  VAL  54          2HG1      VAL  54  10.541 -10.986   2.658
  396   HG13  VAL  54          3HG1      VAL  54   9.527 -11.983   3.732
  397   HG21  VAL  54          3HG2      VAL  54   9.742  -8.929   5.697
  398   HG22  VAL  54          1HG2      VAL  54   9.756 -10.696   5.726
  399   HG23  VAL  54          2HG2      VAL  54  11.030  -9.805   4.851
  400    H    HIS  55           H        HIS  55   6.859  -8.272   2.293
  401    HA   HIS  55           HA       HIS  55   6.875  -9.477  -0.264
  402    HB2  HIS  55           1HB      HIS  55   4.785  -9.026   0.844
  403    HB3  HIS  55           2HB      HIS  55   5.122  -7.301   0.945
  404    HD1  HIS  55           1HD      HIS  55   4.075  -9.913  -1.671
  405    HD2  HIS  55           2HD      HIS  55   4.517  -5.767  -1.128
  406    HE1  HIS  55           1HE      HIS  55   3.072  -8.830  -3.734
  407    H    ILE  56           H        ILE  56   7.410  -5.992   0.518
  408    HA   ILE  56           HA       ILE  56   7.866  -5.306  -2.274
  409    HB   ILE  56           HB       ILE  56   8.543  -3.858   0.292
  410   HG12  ILE  56          1HG1      ILE  56   6.248  -3.339  -1.644
  411   HG13  ILE  56          2HG1      ILE  56   6.076  -4.304  -0.186
  412   HG21  ILE  56          1HG2      ILE  56   8.836  -1.848  -1.126
  413   HG22  ILE  56          2HG2      ILE  56   9.965  -3.102  -1.620
  414   HG23  ILE  56          3HG2      ILE  56   8.497  -2.815  -2.580
  415   HD11  ILE  56          3HD1      ILE  56   6.722  -2.387   1.217
  416   HD12  ILE  56          1HD1      ILE  56   6.804  -1.361  -0.235
  417   HD13  ILE  56          2HD1      ILE  56   5.266  -2.090   0.251
  418    H    GLU  57           H        GLU  57  10.044  -6.142   0.412
  419    HA   GLU  57           HA       GLU  57  12.526  -5.713  -0.968
  420    HB2  GLU  57           1HB      GLU  57  11.699  -7.413   1.405
  421    HB3  GLU  57           2HB      GLU  57  13.371  -7.244   0.920
  422    HG2  GLU  57           1HG      GLU  57  11.719  -4.760   1.484
  423    HG3  GLU  57           2HG      GLU  57  12.378  -5.749   2.777
  424    H    ARG  58           H        ARG  58  10.280  -8.248  -1.264
  425    HA   ARG  58           HA       ARG  58  12.296  -9.912  -2.770
  426    HB2  ARG  58           1HB      ARG  58  11.222 -11.859  -2.239
  427    HB3  ARG  58           2HB      ARG  58  11.063 -10.899  -0.785
  428    HG2  ARG  58           1HG      ARG  58   8.718 -10.285  -1.544
  429    HG3  ARG  58           2HG      ARG  58   8.897 -11.497  -2.823
  430    HD2  ARG  58           1HD      ARG  58   9.168 -12.041   0.156
  431    HD3  ARG  58           2HD      ARG  58   7.694 -12.313  -0.789
  432    HE   ARG  58           HE       ARG  58   9.735 -13.717  -2.118
  433   HH11  ARG  58          2HH1      ARG  58   8.163 -13.955   1.006
  434   HH12  ARG  58          1HH1      ARG  58   8.481 -15.664   1.135
  435   HH21  ARG  58          2HH2      ARG  58  10.109 -15.894  -1.884
  436   HH22  ARG  58          1HH2      ARG  58   9.548 -16.725  -0.464
  437    H    VAL  59           H        VAL  59   9.017  -8.549  -3.145
  438    HA   VAL  59           HA       VAL  59   8.926  -9.653  -5.841
  439    HB   VAL  59           HB       VAL  59   6.834  -7.937  -4.454
  440   HG11  VAL  59          1HG1      VAL  59   6.659  -9.713  -6.925
  441   HG12  VAL  59          2HG1      VAL  59   5.297  -8.881  -6.140
  442   HG13  VAL  59          3HG1      VAL  59   6.571  -7.937  -6.911
  443   HG21  VAL  59          3HG2      VAL  59   5.620 -10.128  -4.195
  444   HG22  VAL  59          1HG2      VAL  59   7.098 -10.967  -4.713
  445   HG23  VAL  59          2HG2      VAL  59   7.068 -10.013  -3.211
  446    H    HIS  60           H        HIS  60   8.940  -6.380  -4.372
  447    HA   HIS  60           HA       HIS  60   9.307  -5.153  -7.048
  448    HB2  HIS  60           1HB      HIS  60   8.400  -3.831  -4.508
  449    HB3  HIS  60           2HB      HIS  60   8.310  -3.189  -6.145
  450    HD1  HIS  60           1HD      HIS  60   6.532  -4.703  -7.818
  451    HD2  HIS  60           2HD      HIS  60   6.319  -5.067  -3.636
  452    HE1  HIS  60           1HE      HIS  60   4.234  -5.683  -7.325
  453    H    LYS  61           H        LYS  61  11.477  -6.284  -5.271
  454    HA   LYS  61           HA       LYS  61  13.077  -4.180  -4.221
  455    HB2  LYS  61           1HB      LYS  61  13.126  -6.531  -3.587
  456    HB3  LYS  61           2HB      LYS  61  13.840  -6.994  -5.112
  457    HG2  LYS  61           1HG      LYS  61  15.136  -5.073  -3.108
  458    HG3  LYS  61           2HG      LYS  61  15.356  -6.813  -3.058
  459    HD2  LYS  61           1HD      LYS  61  16.349  -4.947  -5.234
  460    HD3  LYS  61           2HD      LYS  61  17.284  -5.861  -4.055
  461    HE2  LYS  61           1HE      LYS  61  16.280  -7.989  -5.075
  462    HE3  LYS  61           2HE      LYS  61  15.646  -6.964  -6.372
  463    HZ1  LYS  61           3HZ      LYS  61  18.524  -7.263  -5.677
  464    HZ2  LYS  61           1HZ      LYS  61  17.950  -6.304  -6.871
  465    HZ3  LYS  61           2HZ      LYS  61  17.793  -7.925  -6.974
  466    H    LYS  62           H        LYS  62  14.182  -2.684  -5.166
  467    HA   LYS  62           HA       LYS  62  14.910  -1.268  -6.765
  468    HB2  LYS  62           1HB      LYS  62  16.908  -2.800  -6.313
  469    HB3  LYS  62           2HB      LYS  62  16.522  -3.590  -7.842
  470    HG2  LYS  62           1HG      LYS  62  16.579  -1.034  -8.748
  471    HG3  LYS  62           2HG      LYS  62  17.467  -0.763  -7.269
  472    HD2  LYS  62           1HD      LYS  62  18.962  -1.108  -9.180
  473    HD3  LYS  62           2HD      LYS  62  19.202  -2.350  -7.955
  474    HE2  LYS  62           1HE      LYS  62  19.270  -3.206 -10.296
  475    HE3  LYS  62           2HE      LYS  62  18.074  -4.016  -9.286
  476    HZ1  LYS  62           3HZ      LYS  62  17.235  -3.397 -11.527
  477    HZ2  LYS  62           1HZ      LYS  62  17.396  -1.804 -11.154
  478    HZ3  LYS  62           2HZ      LYS  62  16.334  -2.730 -10.333
  479    H    ILE  63           H        ILE  63  12.510  -1.775  -7.406
  480    HA   ILE  63           HA       ILE  63  12.036  -2.684 -10.088
  481    HB   ILE  63           HB       ILE  63  10.313  -2.492  -8.337
  482   HG12  ILE  63          1HG1      ILE  63   9.637  -0.964 -10.879
  483   HG13  ILE  63          2HG1      ILE  63   9.761  -2.720 -10.735
  484   HG21  ILE  63          1HG2      ILE  63   9.284  -0.395  -7.747
  485   HG22  ILE  63          2HG2      ILE  63  11.010  -0.240  -7.443
  486   HG23  ILE  63          3HG2      ILE  63  10.300   0.503  -8.894
  487   HD11  ILE  63          3HD1      ILE  63   7.914  -2.654  -9.018
  488   HD12  ILE  63          1HD1      ILE  63   7.727  -0.915  -9.365
  489   HD13  ILE  63          2HD1      ILE  63   7.435  -2.107 -10.639
  490    H    LYS  64           H        LYS  64  11.813  -1.569 -12.029
  491    HA   LYS  64           HA       LYS  64  13.565   0.729 -12.417
  492    HB2  LYS  64           1HB      LYS  64  11.728  -0.740 -14.355
  493    HB3  LYS  64           2HB      LYS  64  12.870   0.538 -14.793
  494    HG2  LYS  64           1HG      LYS  64  14.738  -0.867 -13.819
  495    HG3  LYS  64           2HG      LYS  64  13.567  -2.159 -13.546
  496    HD2  LYS  64           1HD      LYS  64  14.753  -2.665 -15.550
  497    HD3  LYS  64           2HD      LYS  64  13.100  -2.227 -16.006
  498    HE2  LYS  64           1HE      LYS  64  13.865   0.032 -16.667
  499    HE3  LYS  64           2HE      LYS  64  15.498  -0.332 -16.099
  500    HZ1  LYS  64           3HZ      LYS  64  15.644  -2.064 -17.805
  501    HZ2  LYS  64           1HZ      LYS  64  15.312  -0.631 -18.507
  502    HZ3  LYS  64           2HZ      LYS  64  14.132  -1.747 -18.331
  503    H    GLN  65           H        GLN  65  12.999   2.695 -13.422
  504    HA   GLN  65           HA       GLN  65  10.285   3.774 -12.731
  505    HB2  GLN  65           1HB      GLN  65  13.008   4.960 -12.040
  506    HB3  GLN  65           2HB      GLN  65  11.471   5.798 -11.833
  507    HG2  GLN  65           1HG      GLN  65  12.196   3.212 -10.395
  508    HG3  GLN  65           2HG      GLN  65  12.395   4.831  -9.749
  509   HE21  GLN  65          1HE2      GLN  65  10.932   3.354  -8.147
  510   HE22  GLN  65          2HE2      GLN  65   9.223   3.735  -8.315
  511    H    HIS  66           H        HIS  66  10.087   6.133 -13.634
  512    HA   HIS  66           HA       HIS  66  11.558   6.445 -16.191
  513    HB2  HIS  66           1HB      HIS  66   9.640   6.963 -17.456
  514    HB3  HIS  66           2HB      HIS  66   9.378   5.395 -16.706
  515    HD1  HIS  66           1HD      HIS  66   7.404   5.308 -14.807
  516    HD2  HIS  66           2HD      HIS  66   8.028   8.989 -16.751
  517    HE1  HIS  66           1HE      HIS  66   5.393   6.768 -14.237
  518    H    CYS  67           H        CYS  67  12.003   8.424 -16.873
  519    HA   CYS  67           HA       CYS  67  11.786  10.735 -15.083
  520    HB2  CYS  67           1HB      CYS  67  13.812  10.296 -16.397
  521    HB3  CYS  67           2HB      CYS  67  12.865  10.286 -17.889
  522    H    ARG  68           H        ARG  68  10.087  12.058 -15.064
  523    HA   ARG  68           HA       ARG  68   7.971  11.841 -17.099
  524    HB2  ARG  68           1HB      ARG  68   6.626  13.233 -15.787
  525    HB3  ARG  68           2HB      ARG  68   7.375  12.063 -14.727
  526    HG2  ARG  68           1HG      ARG  68   8.114  15.014 -15.024
  527    HG3  ARG  68           2HG      ARG  68   7.215  14.280 -13.706
  528    HD2  ARG  68           1HD      ARG  68  10.159  13.920 -14.340
  529    HD3  ARG  68           2HD      ARG  68   9.431  14.745 -12.964
  530    HE   ARG  68           HE       ARG  68   8.742  11.880 -13.233
  531   HH11  ARG  68          2HH1      ARG  68  10.688  14.206 -11.496
  532   HH12  ARG  68          1HH1      ARG  68  11.107  13.057 -10.254
  533   HH21  ARG  68          2HH2      ARG  68   9.419  10.437 -11.707
  534   HH22  ARG  68          1HH2      ARG  68  10.385  10.982 -10.370
  535    H    PHE  69           H        PHE  69  10.816  13.657 -16.882
  536    HA   PHE  69           HA       PHE  69   9.774  15.983 -18.358
  537    HB2  PHE  69           1HB      PHE  69  12.604  15.330 -17.518
  538    HB3  PHE  69           2HB      PHE  69  12.010  16.876 -18.083
  539    HD1  PHE  69           2HD      PHE  69   9.903  17.822 -16.632
  540    HD2  PHE  69           1HD      PHE  69  12.900  15.063 -15.215
  541    HE1  PHE  69           2HE      PHE  69   9.446  18.520 -14.293
  542    HE2  PHE  69           1HE      PHE  69  12.470  15.796 -12.881
  543    HZ   PHE  69           HZ       PHE  69  10.736  17.520 -12.416
  544    H    CYS  70           H        CYS  70  11.862  13.156 -19.001
  545    HA   CYS  70           HA       CYS  70  11.657  13.734 -21.905
  546    HB2  CYS  70           1HB      CYS  70  13.891  13.325 -22.352
  547    HB3  CYS  70           2HB      CYS  70  13.786  14.556 -21.106
  548    H    LYS  71           H        LYS  71  10.512  11.669 -19.879
  549    HA   LYS  71           HA       LYS  71   9.532   9.645 -20.003
  550    HB2  LYS  71           1HB      LYS  71   9.698   9.802 -23.010
  551    HB3  LYS  71           2HB      LYS  71   8.468   9.036 -22.014
  552    HG2  LYS  71           1HG      LYS  71   8.917  12.012 -22.444
  553    HG3  LYS  71           2HG      LYS  71   7.572  11.031 -23.008
  554    HD2  LYS  71           1HD      LYS  71   6.829  10.694 -20.645
  555    HD3  LYS  71           2HD      LYS  71   8.165  11.730 -20.093
  556    HE2  LYS  71           1HE      LYS  71   7.284  13.562 -21.594
  557    HE3  LYS  71           2HE      LYS  71   5.893  12.536 -21.960
  558    HZ1  LYS  71           3HZ      LYS  71   5.377  12.560 -19.546
  559    HZ2  LYS  71           1HZ      LYS  71   5.356  14.064 -20.182
  560    HZ3  LYS  71           2HZ      LYS  71   6.630  13.596 -19.279
  561    H    LYS  72           H        LYS  72  12.550   9.750 -20.253
  562    HA   LYS  72           HA       LYS  72  13.425   7.200 -21.330
  563    HB2  LYS  72           1HB      LYS  72  14.554   9.458 -19.681
  564    HB3  LYS  72           2HB      LYS  72  15.451   7.903 -19.782
  565    HG2  LYS  72           1HG      LYS  72  15.385   8.067 -22.265
  566    HG3  LYS  72           2HG      LYS  72  14.508   9.598 -22.113
  567    HD2  LYS  72           1HD      LYS  72  16.573  10.352 -20.644
  568    HD3  LYS  72           2HD      LYS  72  17.376   8.942 -21.339
  569    HE2  LYS  72           1HE      LYS  72  17.920  10.855 -22.684
  570    HE3  LYS  72           2HE      LYS  72  16.838   9.801 -23.622
  571    HZ1  LYS  72           3HZ      LYS  72  15.802  12.105 -22.058
  572    HZ2  LYS  72           1HZ      LYS  72  15.037  11.281 -23.221
  573    HZ3  LYS  72           2HZ      LYS  72  16.277  12.270 -23.634
  574    H    LYS  73           H        LYS  73  13.802   5.277 -20.272
  575    HA   LYS  73           HA       LYS  73  12.691   4.971 -17.520
  576    HB2  LYS  73           1HB      LYS  73  13.172   2.948 -19.719
  577    HB3  LYS  73           2HB      LYS  73  12.800   2.501 -18.043
  578    HG2  LYS  73           1HG      LYS  73  10.692   3.740 -18.103
  579    HG3  LYS  73           2HG      LYS  73  11.061   4.366 -19.707
  580    HD2  LYS  73           1HD      LYS  73   9.453   2.612 -19.946
  581    HD3  LYS  73           2HD      LYS  73  10.986   2.041 -20.623
  582    HE2  LYS  73           1HE      LYS  73  11.431   0.761 -18.543
  583    HE3  LYS  73           2HE      LYS  73   9.943   1.391 -17.824
  584    HZ1  LYS  73           3HZ      LYS  73   9.601  -0.826 -18.763
  585    HZ2  LYS  73           1HZ      LYS  73  10.062  -0.330 -20.247
  586    HZ3  LYS  73           2HZ      LYS  73   8.690   0.252 -19.577
  587    H    TYR  74           H        TYR  74  13.742   4.112 -15.879
  588    HA   TYR  74           HA       TYR  74  16.726   4.097 -16.025
  589    HB2  TYR  74           1HB      TYR  74  14.849   5.774 -14.409
  590    HB3  TYR  74           2HB      TYR  74  16.277   5.165 -13.583
  591    HD1  TYR  74           1HD      TYR  74  15.176   7.160 -16.563
  592    HD2  TYR  74           2HD      TYR  74  18.447   5.958 -14.034
  593    HE1  TYR  74           1HE      TYR  74  16.747   8.548 -17.932
  594    HE2  TYR  74           2HE      TYR  74  20.020   7.322 -15.407
  595    HH   TYR  74           HH       TYR  74  20.280   8.550 -17.311
  596    H    SER  75           H        SER  75  17.896   2.828 -14.757
  597    HA   SER  75           HA       SER  75  16.766   0.265 -14.136
  598    HB2  SER  75           1HB      SER  75  19.158  -0.268 -13.612
  599    HB3  SER  75           2HB      SER  75  18.908   0.470 -15.201
  600    HG   SER  75           HG       SER  75  20.650   1.455 -14.168
  601    H    ASP  76           H        ASP  76  17.439   3.007 -12.155
  602    HA   ASP  76           HA       ASP  76  16.517   1.660  -9.714
  603    HB2  ASP  76           1HB      ASP  76  19.082   1.421  -9.887
  604    HB3  ASP  76           2HB      ASP  76  19.167   3.172  -9.764
  605    H    VAL  77           H        VAL  77  15.506   3.223  -8.334
  606    HA   VAL  77           HA       VAL  77  14.735   5.759  -9.469
  607    HB   VAL  77           HB       VAL  77  13.461   4.506  -7.700
  608   HG11  VAL  77          1HG1      VAL  77  15.417   5.720  -5.706
  609   HG12  VAL  77          2HG1      VAL  77  13.968   4.763  -5.362
  610   HG13  VAL  77          3HG1      VAL  77  15.357   3.994  -6.144
  611   HG21  VAL  77          3HG2      VAL  77  12.984   6.869  -8.275
  612   HG22  VAL  77          1HG2      VAL  77  12.644   6.505  -6.574
  613   HG23  VAL  77          2HG2      VAL  77  14.115   7.398  -7.012
  614    H    LYS  78           H        LYS  78  17.446   4.814  -7.333
  615    HA   LYS  78           HA       LYS  78  18.322   7.488  -6.695
  616    HB2  LYS  78           1HB      LYS  78  19.846   4.859  -6.898
  617    HB3  LYS  78           2HB      LYS  78  20.511   6.344  -6.214
  618    HG2  LYS  78           1HG      LYS  78  18.820   6.399  -4.464
  619    HG3  LYS  78           2HG      LYS  78  17.998   4.987  -5.128
  620    HD2  LYS  78           1HD      LYS  78  20.853   4.967  -4.060
  621    HD3  LYS  78           2HD      LYS  78  19.414   4.483  -3.145
  622    HE2  LYS  78           1HE      LYS  78  18.908   2.753  -4.883
  623    HE3  LYS  78           2HE      LYS  78  20.393   3.184  -5.728
  624    HZ1  LYS  78           3HZ      LYS  78  21.645   2.517  -3.743
  625    HZ2  LYS  78           1HZ      LYS  78  20.734   1.278  -4.292
  626    HZ3  LYS  78           2HZ      LYS  78  20.265   2.104  -2.964
  627    H    ASN  79           H        ASN  79  18.934   5.439  -9.514
  628    HA   ASN  79           HA       ASN  79  20.917   7.239 -10.669
  629    HB2  ASN  79           1HB      ASN  79  19.280   4.945 -11.868
  630    HB3  ASN  79           2HB      ASN  79  20.549   5.815 -12.726
  631   HD21  ASN  79          1HD2      ASN  79  20.649   3.021 -12.401
  632   HD22  ASN  79          2HD2      ASN  79  22.017   2.692 -11.349
  633    H    LEU  80           H        LEU  80  17.386   6.860 -10.950
  634    HA   LEU  80           HA       LEU  80  16.972   8.761 -13.027
  635    HB2  LEU  80           1HB      LEU  80  15.264   7.161 -12.191
  636    HB3  LEU  80           2HB      LEU  80  15.233   8.036 -10.654
  637    HG   LEU  80           HG       LEU  80  14.341  10.036 -11.725
  638   HD11  LEU  80          1HD1      LEU  80  15.285   9.773 -14.003
  639   HD12  LEU  80          2HD1      LEU  80  13.536   9.958 -14.034
  640   HD13  LEU  80          3HD1      LEU  80  14.255   8.345 -14.260
  641   HD21  LEU  80          3HD2      LEU  80  12.826   8.272 -10.837
  642   HD22  LEU  80          1HD2      LEU  80  12.764   7.554 -12.465
  643   HD23  LEU  80          2HD2      LEU  80  12.118   9.183 -12.185
  644    H    ILE  81           H        ILE  81  17.213   9.228  -9.448
  645    HA   ILE  81           HA       ILE  81  16.686  12.018  -9.449
  646    HB   ILE  81           HB       ILE  81  18.671  10.691  -7.584
  647   HG12  ILE  81          1HG1      ILE  81  16.900   9.249  -7.402
  648   HG13  ILE  81          2HG1      ILE  81  16.797  10.283  -6.042
  649   HG21  ILE  81          1HG2      ILE  81  17.834  12.408  -5.993
  650   HG22  ILE  81          2HG2      ILE  81  18.582  13.119  -7.427
  651   HG23  ILE  81          3HG2      ILE  81  16.812  13.084  -7.284
  652   HD11  ILE  81          3HD1      ILE  81  14.556   9.894  -6.879
  653   HD12  ILE  81          1HD1      ILE  81  14.966  11.600  -7.141
  654   HD13  ILE  81          2HD1      ILE  81  15.006  10.451  -8.498
  655    H    LYS  82           H        LYS  82  19.815  10.299  -9.724
  656    HA   LYS  82           HA       LYS  82  21.442  12.617 -10.013
  657    HB2  LYS  82           1HB      LYS  82  22.216  10.299  -9.481
  658    HB3  LYS  82           2HB      LYS  82  21.903   9.816 -11.154
  659    HG2  LYS  82           1HG      LYS  82  23.559  11.488 -11.946
  660    HG3  LYS  82           2HG      LYS  82  23.874  11.983 -10.279
  661    HD2  LYS  82           1HD      LYS  82  24.360   9.193 -11.425
  662    HD3  LYS  82           2HD      LYS  82  25.592  10.447 -11.223
  663    HE2  LYS  82           1HE      LYS  82  25.161  10.467  -8.764
  664    HE3  LYS  82           2HE      LYS  82  23.983   9.164  -8.968
  665    HZ1  LYS  82           3HZ      LYS  82  26.159   8.296  -8.335
  666    HZ2  LYS  82           1HZ      LYS  82  26.872   8.968  -9.639
  667    HZ3  LYS  82           2HZ      LYS  82  25.784   7.761  -9.831
  668    H    HIS  83           H        HIS  83  19.806  10.681 -12.553
  669    HA   HIS  83           HA       HIS  83  20.610  12.242 -14.818
  670    HB2  HIS  83           1HB      HIS  83  19.556  10.139 -15.161
  671    HB3  HIS  83           2HB      HIS  83  18.171  10.551 -14.167
  672    HD1  HIS  83           1HD      HIS  83  19.600  11.415 -17.638
  673    HD2  HIS  83           2HD      HIS  83  16.115  11.714 -15.311
  674    HE1  HIS  83           1HE      HIS  83  17.800  12.242 -19.211
  675    H    ILE  84           H        ILE  84  17.788  12.742 -12.629
  676    HA   ILE  84           HA       ILE  84  16.863  15.095 -13.986
  677    HB   ILE  84           HB       ILE  84  16.496  13.981 -11.199
  678   HG12  ILE  84          1HG1      ILE  84  14.464  14.380 -13.435
  679   HG13  ILE  84          2HG1      ILE  84  15.489  12.952 -13.365
  680   HG21  ILE  84          1HG2      ILE  84  14.693  15.678 -10.856
  681   HG22  ILE  84          2HG2      ILE  84  16.303  16.381 -10.878
  682   HG23  ILE  84          3HG2      ILE  84  15.255  16.531 -12.309
  683   HD11  ILE  84          3HD1      ILE  84  14.649  12.430 -11.100
  684   HD12  ILE  84          1HD1      ILE  84  13.496  13.776 -11.242
  685   HD13  ILE  84          2HD1      ILE  84  13.396  12.400 -12.369
  686    H    ARG  85           H        ARG  85  19.074  14.750 -11.213
  687    HA   ARG  85           HA       ARG  85  19.655  17.555 -10.915
  688    HB2  ARG  85           1HB      ARG  85  21.223  15.053 -10.167
  689    HB3  ARG  85           2HB      ARG  85  21.703  16.690  -9.697
  690    HG2  ARG  85           1HG      ARG  85  19.592  17.044  -8.527
  691    HG3  ARG  85           2HG      ARG  85  19.010  15.437  -8.987
  692    HD2  ARG  85           1HD      ARG  85  20.805  14.368  -7.752
  693    HD3  ARG  85           2HD      ARG  85  21.495  15.954  -7.321
  694    HE   ARG  85           HE       ARG  85  18.817  15.960  -6.441
  695   HH11  ARG  85          2HH1      ARG  85  21.741  14.223  -5.597
  696   HH12  ARG  85          1HH1      ARG  85  21.211  13.943  -3.961
  697   HH21  ARG  85          2HH2      ARG  85  18.207  15.572  -4.339
  698   HH22  ARG  85          1HH2      ARG  85  19.262  14.695  -3.273
  699    H    ASP  86           H        ASP  86  20.917  15.311 -13.241
  700    HA   ASP  86           HA       ASP  86  23.102  17.162 -14.041
  701    HB2  ASP  86           1HB      ASP  86  22.331  14.352 -14.894
  702    HB3  ASP  86           2HB      ASP  86  23.581  15.297 -15.689
  703    H    ALA  87           H        ALA  87  20.090  15.851 -15.478
  704    HA   ALA  87           HA       ALA  87  20.535  17.484 -17.923
  705    HB1  ALA  87           1HB      ALA  87  20.280  15.029 -18.112
  706    HB2  ALA  87           2HB      ALA  87  18.659  15.149 -17.387
  707    HB3  ALA  87           3HB      ALA  87  18.990  15.909 -18.955
  708    H    HIS  88           H        HIS  88  18.290  17.277 -15.207
  709    HA   HIS  88           HA       HIS  88  16.511  19.318 -16.470
  710    HB2  HIS  88           1HB      HIS  88  15.709  17.059 -14.619
  711    HB3  HIS  88           2HB      HIS  88  14.649  18.200 -15.426
  712    HD1  HIS  88           1HD      HIS  88  15.331  18.001 -18.401
  713    HD2  HIS  88           2HD      HIS  88  15.518  14.766 -15.731
  714    HE1  HIS  88           1HE      HIS  88  15.155  15.913 -19.837
  715    H    ASP  89           H        ASP  89  18.824  19.685 -14.615
  716    HA   ASP  89           HA       ASP  89  18.166  20.095 -12.018
  717    HB2  ASP  89           1HB      ASP  89  20.127  21.438 -11.808
  718    HB3  ASP  89           2HB      ASP  89  20.427  20.126 -12.936
  719    HA   PRO  90           HA       PRO  90  15.381  23.512 -11.916
  720    HB2  PRO  90           1HB      PRO  90  15.393  24.157  -9.249
  721    HB3  PRO  90           2HB      PRO  90  14.676  22.654  -9.909
  722    HG2  PRO  90           1HG      PRO  90  17.429  23.027  -8.690
  723    HG3  PRO  90           2HG      PRO  90  16.227  21.745  -8.337
  724    HD2  PRO  90           1HD      PRO  90  18.292  21.337 -10.066
  725    HD3  PRO  90           2HD      PRO  90  16.688  20.630 -10.390
  726    H    GLN  91           H        GLN  91  15.174  25.768 -11.747
  727    HA   GLN  91           HA       GLN  91  17.703  27.320 -11.681
  728    HB2  GLN  91           1HB      GLN  91  16.637  27.242 -13.860
  729    HB3  GLN  91           2HB      GLN  91  15.084  27.711 -13.170
  730    HG2  GLN  91           1HG      GLN  91  16.118  29.599 -14.298
  731    HG3  GLN  91           2HG      GLN  91  15.957  29.917 -12.579
  732   HE21  GLN  91          1HE2      GLN  91  17.796  30.813 -11.616
  733   HE22  GLN  91          2HE2      GLN  91  19.427  30.613 -12.273
  734    H    ASP  92           H        ASP  92  17.959  28.622 -10.072
  735    HA   ASP  92           HA       ASP  92  15.950  29.407  -8.114
  736    HB2  ASP  92           1HB      ASP  92  18.308  29.051  -7.523
  737    HB3  ASP  92           2HB      ASP  92  18.797  30.358  -8.594
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  13.430   4.911  43.623
    2    H2   GLY   1           2H       GLY   1  12.606   3.502  43.751
    3    H3   GLY   1           3H       GLY   1  11.871   4.918  44.128
    4    HA2  GLY   1           1HA      GLY   1  11.090   4.152  41.994
    5    HA3  GLY   1           2HA      GLY   1  11.998   5.667  41.847
    6    H    SER   2           H        SER   2  12.580   5.278  39.688
    7    HA   SER   2           HA       SER   2  14.019   2.878  38.857
    8    HB2  SER   2           1HB      SER   2  14.176   4.070  36.693
    9    HB3  SER   2           2HB      SER   2  12.523   3.960  37.314
   10    HG   SER   2           HG       SER   2  13.018   6.067  36.536
   11    H    SER   3           H        SER   3  16.111   3.087  37.653
   12    HA   SER   3           HA       SER   3  18.019   5.098  38.702
   13    HB2  SER   3           1HB      SER   3  18.127   3.239  40.304
   14    HB3  SER   3           2HB      SER   3  18.406   2.092  38.979
   15    HG   SER   3           HG       SER   3  20.344   2.850  40.080
   16    H    GLY   4           H        GLY   4  19.815   5.430  37.407
   17    HA2  GLY   4           1HA      GLY   4  19.619   4.931  34.588
   18    HA3  GLY   4           2HA      GLY   4  21.011   5.597  35.451
   19    H    SER   5           H        SER   5  21.038   2.996  37.152
   20    HA   SER   5           HA       SER   5  22.820   1.381  35.569
   21    HB2  SER   5           1HB      SER   5  21.294   0.703  38.113
   22    HB3  SER   5           2HB      SER   5  22.659  -0.211  37.440
   23    HG   SER   5           HG       SER   5  23.319   1.269  39.079
   24    H    SER   6           H        SER   6  19.337   1.423  35.798
   25    HA   SER   6           HA       SER   6  19.032  -1.245  34.528
   26    HB2  SER   6           1HB      SER   6  16.937   0.665  35.612
   27    HB3  SER   6           2HB      SER   6  16.654  -0.972  34.987
   28    HG   SER   6           HG       SER   6  16.824  -0.958  37.272
   29    H    GLY   7           H        GLY   7  20.349   0.429  32.879
   30    HA2  GLY   7           1HA      GLY   7  18.828   2.175  31.240
   31    HA3  GLY   7           2HA      GLY   7  20.408   1.509  30.849
   32    H    LYS   8           H        LYS   8  17.887   2.006  29.309
   33    HA   LYS   8           HA       LYS   8  17.164  -0.637  28.194
   34    HB2  LYS   8           1HB      LYS   8  15.631   1.965  28.463
   35    HB3  LYS   8           2HB      LYS   8  14.994   0.507  27.707
   36    HG2  LYS   8           1HG      LYS   8  15.083  -0.707  29.826
   37    HG3  LYS   8           2HG      LYS   8  15.949   0.617  30.591
   38    HD2  LYS   8           1HD      LYS   8  13.941   2.093  30.241
   39    HD3  LYS   8           2HD      LYS   8  13.088   0.696  29.571
   40    HE2  LYS   8           1HE      LYS   8  12.437   0.908  31.875
   41    HE3  LYS   8           2HE      LYS   8  13.447  -0.533  31.724
   42    HZ1  LYS   8           3HZ      LYS   8  15.327   0.781  32.612
   43    HZ2  LYS   8           1HZ      LYS   8  14.067   0.808  33.657
   44    HZ3  LYS   8           2HZ      LYS   8  14.377   2.112  32.726
   45    HA   PRO   9           HA       PRO   9  19.311   1.744  24.796
   46    HB2  PRO   9           1HB      PRO   9  20.718  -0.376  23.718
   47    HB3  PRO   9           2HB      PRO   9  21.260   0.547  25.141
   48    HG2  PRO   9           1HG      PRO   9  19.763  -2.074  25.135
   49    HG3  PRO   9           2HG      PRO   9  21.268  -1.668  26.022
   50    HD2  PRO   9           1HD      PRO   9  18.826  -1.507  27.203
   51    HD3  PRO   9           2HD      PRO   9  20.083  -0.298  27.554
   52    H    TYR  10           H        TYR  10  17.522  -1.323  24.703
   53    HA   TYR  10           HA       TYR  10  17.215  -1.221  21.836
   54    HB2  TYR  10           1HB      TYR  10  15.895  -3.036  23.846
   55    HB3  TYR  10           2HB      TYR  10  16.153  -3.316  22.122
   56    HD1  TYR  10           2HD      TYR  10  18.997  -2.593  21.674
   57    HD2  TYR  10           1HD      TYR  10  17.216  -4.393  25.151
   58    HE1  TYR  10           2HE      TYR  10  21.146  -3.683  22.200
   59    HE2  TYR  10           1HE      TYR  10  19.401  -5.426  25.728
   60    HH   TYR  10           HH       TYR  10  22.306  -5.021  23.664
   61    H    LYS  11           H        LYS  11  16.154   0.477  21.215
   62    HA   LYS  11           HA       LYS  11  13.517   1.326  22.279
   63    HB2  LYS  11           1HB      LYS  11  15.524   2.533  20.348
   64    HB3  LYS  11           2HB      LYS  11  13.858   3.076  20.349
   65    HG2  LYS  11           1HG      LYS  11  15.046   4.598  21.664
   66    HG3  LYS  11           2HG      LYS  11  14.004   3.676  22.742
   67    HD2  LYS  11           1HD      LYS  11  15.945   2.358  23.519
   68    HD3  LYS  11           2HD      LYS  11  16.986   3.183  22.329
   69    HE2  LYS  11           1HE      LYS  11  16.488   5.358  23.410
   70    HE3  LYS  11           2HE      LYS  11  15.482   4.527  24.612
   71    HZ1  LYS  11           3HZ      LYS  11  18.389   4.085  24.241
   72    HZ2  LYS  11           1HZ      LYS  11  17.430   3.352  25.369
   73    HZ3  LYS  11           2HZ      LYS  11  17.716   4.962  25.446
   74    H    CYS  12           H        CYS  12  11.637   1.497  21.132
   75    HA   CYS  12           HA       CYS  12  11.182  -0.311  18.898
   76    HB2  CYS  12           1HB      CYS  12   9.622  -0.078  20.718
   77    HB3  CYS  12           2HB      CYS  12   9.440   1.652  20.402
   78    HA   PRO  13           HA       PRO  13  11.794   3.040  15.879
   79    HB2  PRO  13           1HB      PRO  13  11.198   1.691  13.601
   80    HB3  PRO  13           2HB      PRO  13  12.671   1.335  14.552
   81    HG2  PRO  13           1HG      PRO  13  10.036  -0.152  14.550
   82    HG3  PRO  13           2HG      PRO  13  11.691  -0.826  14.489
   83    HD2  PRO  13           1HD      PRO  13  10.186  -0.550  16.824
   84    HD3  PRO  13           2HD      PRO  13  11.971  -0.575  16.793
   85    H    GLN  14           H        GLN  14   8.836   1.587  16.848
   86    HA   GLN  14           HA       GLN  14   7.192   3.255  14.994
   87    HB2  GLN  14           1HB      GLN  14   6.233   0.887  16.610
   88    HB3  GLN  14           2HB      GLN  14   5.455   1.702  15.259
   89    HG2  GLN  14           1HG      GLN  14   7.597   0.950  13.918
   90    HG3  GLN  14           2HG      GLN  14   7.844  -0.163  15.265
   91   HE21  GLN  14          1HE2      GLN  14   7.325  -2.178  14.386
   92   HE22  GLN  14          2HE2      GLN  14   5.819  -2.492  13.541
   93    H    CYS  15           H        CYS  15   7.812   2.681  18.448
   94    HA   CYS  15           HA       CYS  15   6.220   5.109  19.040
   95    HB2  CYS  15           1HB      CYS  15   4.942   4.098  20.792
   96    HB3  CYS  15           2HB      CYS  15   4.668   3.215  19.298
   97    H    SER  16           H        SER  16   6.385   5.327  21.681
   98    HA   SER  16           HA       SER  16   9.141   6.137  22.076
   99    HB2  SER  16           1HB      SER  16   8.265   7.082  24.196
  100    HB3  SER  16           2HB      SER  16   7.347   7.583  22.768
  101    HG   SER  16           HG       SER  16   5.980   6.938  24.512
  102    H    TYR  17           H        TYR  17   7.857   3.125  22.478
  103    HA   TYR  17           HA       TYR  17   8.684   2.265  25.038
  104    HB2  TYR  17           1HB      TYR  17   7.166   1.035  23.614
  105    HB3  TYR  17           2HB      TYR  17   8.403   0.812  22.393
  106    HD1  TYR  17           1HD      TYR  17   7.319  -0.090  25.845
  107    HD2  TYR  17           2HD      TYR  17  10.014  -1.037  22.607
  108    HE1  TYR  17           1HE      TYR  17   7.838  -2.288  26.904
  109    HE2  TYR  17           2HE      TYR  17  10.488  -3.243  23.640
  110    HH   TYR  17           HH       TYR  17   9.823  -4.742  25.257
  111    H    ALA  18           H        ALA  18  10.438   1.238  25.842
  112    HA   ALA  18           HA       ALA  18  12.704   0.495  24.200
  113    HB1  ALA  18           1HB      ALA  18  13.112   2.480  26.483
  114    HB2  ALA  18           2HB      ALA  18  14.380   1.750  25.475
  115    HB3  ALA  18           3HB      ALA  18  13.219   2.883  24.758
  116    H    SER  19           H        SER  19  14.058  -1.077  25.224
  117    HA   SER  19           HA       SER  19  13.478  -1.778  28.052
  118    HB2  SER  19           1HB      SER  19  12.014  -3.207  26.599
  119    HB3  SER  19           2HB      SER  19  13.482  -3.881  25.864
  120    HG   SER  19           HG       SER  19  12.624  -4.015  28.584
  121    H    ALA  20           H        ALA  20  15.164  -2.583  29.192
  122    HA   ALA  20           HA       ALA  20  17.838  -2.736  28.340
  123    HB1  ALA  20           1HB      ALA  20  18.185  -3.708  30.513
  124    HB2  ALA  20           2HB      ALA  20  16.984  -2.408  30.633
  125    HB3  ALA  20           3HB      ALA  20  16.453  -4.113  30.651
  126    H    ILE  21           H        ILE  21  15.375  -5.029  27.615
  127    HA   ILE  21           HA       ILE  21  17.423  -7.154  27.057
  128    HB   ILE  21           HB       ILE  21  14.492  -7.574  27.676
  129   HG12  ILE  21          1HG1      ILE  21  16.942  -7.866  29.482
  130   HG13  ILE  21          2HG1      ILE  21  15.583  -6.766  29.714
  131   HG21  ILE  21          1HG2      ILE  21  16.786  -9.577  27.485
  132   HG22  ILE  21          2HG2      ILE  21  15.073  -9.949  27.789
  133   HG23  ILE  21          3HG2      ILE  21  15.552  -9.312  26.235
  134   HD11  ILE  21          3HD1      ILE  21  15.539  -9.781  30.035
  135   HD12  ILE  21          1HD1      ILE  21  15.332  -8.538  31.275
  136   HD13  ILE  21          2HD1      ILE  21  14.080  -8.760  30.037
  137    H    LYS  22           H        LYS  22  17.664  -7.712  24.954
  138    HA   LYS  22           HA       LYS  22  16.149  -6.285  22.951
  139    HB2  LYS  22           1HB      LYS  22  18.578  -6.889  22.871
  140    HB3  LYS  22           2HB      LYS  22  18.116  -8.553  22.488
  141    HG2  LYS  22           1HG      LYS  22  17.160  -7.889  20.389
  142    HG3  LYS  22           2HG      LYS  22  17.072  -6.190  20.870
  143    HD2  LYS  22           1HD      LYS  22  18.854  -6.528  19.243
  144    HD3  LYS  22           2HD      LYS  22  19.492  -5.959  20.787
  145    HE2  LYS  22           1HE      LYS  22  20.197  -8.240  21.383
  146    HE3  LYS  22           2HE      LYS  22  19.480  -8.879  19.895
  147    HZ1  LYS  22           3HZ      LYS  22  21.872  -8.534  19.652
  148    HZ2  LYS  22           1HZ      LYS  22  21.740  -6.948  20.006
  149    HZ3  LYS  22           2HZ      LYS  22  21.080  -7.539  18.633
  150    H    ALA  23           H        ALA  23  15.881  -9.599  24.183
  151    HA   ALA  23           HA       ALA  23  13.897 -10.525  22.345
  152    HB1  ALA  23           1HB      ALA  23  15.096 -11.967  23.958
  153    HB2  ALA  23           2HB      ALA  23  14.248 -11.174  25.307
  154    HB3  ALA  23           3HB      ALA  23  13.338 -12.127  24.119
  155    H    ASN  24           H        ASN  24  13.597  -8.421  25.234
  156    HA   ASN  24           HA       ASN  24  10.705  -8.280  25.142
  157    HB2  ASN  24           1HB      ASN  24  12.816  -6.564  26.498
  158    HB3  ASN  24           2HB      ASN  24  11.113  -6.221  26.593
  159   HD21  ASN  24          1HD2      ASN  24  12.157  -6.467  28.919
  160   HD22  ASN  24          2HD2      ASN  24  11.775  -8.023  29.651
  161    H    LEU  25           H        LEU  25  13.199  -6.649  23.306
  162    HA   LEU  25           HA       LEU  25  11.263  -4.723  22.192
  163    HB2  LEU  25           1HB      LEU  25  13.611  -4.099  22.276
  164    HB3  LEU  25           2HB      LEU  25  14.054  -5.486  21.278
  165    HG   LEU  25           HG       LEU  25  12.754  -4.570  19.380
  166   HD11  LEU  25          1HD1      LEU  25  11.960  -2.235  19.452
  167   HD12  LEU  25          2HD1      LEU  25  12.284  -2.163  21.200
  168   HD13  LEU  25          3HD1      LEU  25  11.030  -3.247  20.548
  169   HD21  LEU  25          3HD2      LEU  25  14.248  -2.765  18.812
  170   HD22  LEU  25          1HD2      LEU  25  15.158  -4.017  19.675
  171   HD23  LEU  25          2HD2      LEU  25  14.678  -2.520  20.513
  172    H    ASN  26           H        ASN  26  12.611  -7.884  21.177
  173    HA   ASN  26           HA       ASN  26  11.320  -7.912  18.598
  174    HB2  ASN  26           1HB      ASN  26  12.459 -10.115  20.370
  175    HB3  ASN  26           2HB      ASN  26  11.677 -10.458  18.829
  176   HD21  ASN  26          1HD2      ASN  26  14.283  -8.445  20.225
  177   HD22  ASN  26          2HD2      ASN  26  15.284  -8.520  18.769
  178    H    VAL  27           H        VAL  27  10.231  -9.155  21.770
  179    HA   VAL  27           HA       VAL  27   7.742 -10.215  20.858
  180    HB   VAL  27           HB       VAL  27   8.924 -10.551  23.059
  181   HG11  VAL  27          1HG1      VAL  27   8.492  -9.206  24.929
  182   HG12  VAL  27          2HG1      VAL  27   9.183  -8.222  23.624
  183   HG13  VAL  27          3HG1      VAL  27   7.440  -8.115  23.997
  184   HG21  VAL  27          3HG2      VAL  27   6.856 -11.039  24.280
  185   HG22  VAL  27          1HG2      VAL  27   5.935 -10.003  23.167
  186   HG23  VAL  27          2HG2      VAL  27   6.697 -11.497  22.576
  187    H    HIS  28           H        HIS  28   8.721  -6.952  21.690
  188    HA   HIS  28           HA       HIS  28   6.085  -5.907  22.052
  189    HB2  HIS  28           1HB      HIS  28   7.950  -5.001  23.191
  190    HB3  HIS  28           2HB      HIS  28   8.832  -4.673  21.704
  191    HD1  HIS  28           1HD      HIS  28   6.021  -3.080  23.740
  192    HD2  HIS  28           2HD      HIS  28   8.137  -2.623  20.135
  193    HE1  HIS  28           1HE      HIS  28   5.283  -0.853  22.781
  194    H    LEU  29           H        LEU  29   8.269  -5.980  19.276
  195    HA   LEU  29           HA       LEU  29   6.769  -4.266  17.541
  196    HB2  LEU  29           1HB      LEU  29   8.563  -6.628  16.910
  197    HB3  LEU  29           2HB      LEU  29   8.014  -5.454  15.720
  198    HG   LEU  29           HG       LEU  29   9.692  -4.672  18.134
  199   HD11  LEU  29          1HD1      LEU  29  10.932  -6.264  16.715
  200   HD12  LEU  29          2HD1      LEU  29  11.605  -4.630  16.601
  201   HD13  LEU  29          3HD1      LEU  29  10.584  -5.263  15.286
  202   HD21  LEU  29          3HD2      LEU  29   8.478  -2.789  17.121
  203   HD22  LEU  29          1HD2      LEU  29   9.109  -3.239  15.513
  204   HD23  LEU  29          2HD2      LEU  29  10.210  -2.698  16.795
  205    H    ARG  30           H        ARG  30   6.119  -7.526  18.552
  206    HA   ARG  30           HA       ARG  30   4.355  -8.366  16.458
  207    HB2  ARG  30           1HB      ARG  30   4.204  -9.052  19.425
  208    HB3  ARG  30           2HB      ARG  30   3.465  -9.956  18.118
  209    HG2  ARG  30           1HG      ARG  30   5.640 -10.596  17.216
  210    HG3  ARG  30           2HG      ARG  30   6.481  -9.587  18.406
  211    HD2  ARG  30           1HD      ARG  30   5.543 -10.935  20.248
  212    HD3  ARG  30           2HD      ARG  30   4.723 -11.976  19.062
  213    HE   ARG  30           HE       ARG  30   7.512 -11.853  18.439
  214   HH11  ARG  30          2HH1      ARG  30   5.424 -13.328  20.837
  215   HH12  ARG  30          1HH1      ARG  30   6.554 -14.612  21.164
  216   HH21  ARG  30          2HH2      ARG  30   8.899 -13.530  18.892
  217   HH22  ARG  30          1HH2      ARG  30   8.468 -14.716  20.088
  218    H    LYS  31           H        LYS  31   3.814  -6.307  19.281
  219    HA   LYS  31           HA       LYS  31   0.930  -6.256  19.209
  220    HB2  LYS  31           1HB      LYS  31   2.761  -4.071  20.287
  221    HB3  LYS  31           2HB      LYS  31   1.098  -4.437  20.773
  222    HG2  LYS  31           1HG      LYS  31   1.926  -6.689  21.602
  223    HG3  LYS  31           2HG      LYS  31   3.574  -6.143  21.231
  224    HD2  LYS  31           1HD      LYS  31   3.032  -4.089  22.750
  225    HD3  LYS  31           2HD      LYS  31   1.657  -5.075  23.323
  226    HE2  LYS  31           1HE      LYS  31   3.359  -6.968  23.633
  227    HE3  LYS  31           2HE      LYS  31   4.613  -5.776  23.288
  228    HZ1  LYS  31           3HZ      LYS  31   3.800  -4.507  25.260
  229    HZ2  LYS  31           1HZ      LYS  31   4.263  -6.011  25.704
  230    HZ3  LYS  31           2HZ      LYS  31   2.680  -5.652  25.563
  231    H    HIS  32           H        HIS  32   3.360  -4.459  17.527
  232    HA   HIS  32           HA       HIS  32   1.534  -2.518  16.338
  233    HB2  HIS  32           1HB      HIS  32   4.420  -3.204  15.680
  234    HB3  HIS  32           2HB      HIS  32   3.496  -1.891  14.960
  235    HD1  HIS  32           1HD      HIS  32   2.312  -0.235  17.092
  236    HD2  HIS  32           2HD      HIS  32   5.944  -2.291  17.606
  237    HE1  HIS  32           1HE      HIS  32   3.497   0.941  18.994
  238    H    THR  33           H        THR  33   1.582  -5.756  15.736
  239    HA   THR  33           HA       THR  33   0.824  -5.466  12.858
  240    HB   THR  33           HB       THR  33   0.820  -7.811  12.660
  241    HG1  THR  33           1HG      THR  33   1.383  -7.989  15.433
  242   HG21  THR  33          3HG2      THR  33   3.054  -6.750  12.572
  243   HG22  THR  33          1HG2      THR  33   3.099  -8.439  13.107
  244   HG23  THR  33          2HG2      THR  33   3.291  -7.130  14.292
  245    H    GLY  34           H        GLY  34  -1.141  -7.026  12.323
  246    HA2  GLY  34           1HA      GLY  34  -3.320  -7.760  12.790
  247    HA3  GLY  34           2HA      GLY  34  -3.316  -6.891  14.324
  248    H    GLU  35           H        GLU  35  -2.358  -5.296  11.337
  249    HA   GLU  35           HA       GLU  35  -4.986  -3.974  10.944
  250    HB2  GLU  35           1HB      GLU  35  -3.644  -2.545  12.482
  251    HB3  GLU  35           2HB      GLU  35  -2.342  -2.498  11.286
  252    HG2  GLU  35           1HG      GLU  35  -3.746  -1.284   9.715
  253    HG3  GLU  35           2HG      GLU  35  -5.168  -1.522  10.731
  254    H    LYS  36           H        LYS  36  -5.373  -3.313   8.793
  255    HA   LYS  36           HA       LYS  36  -3.780  -4.795   6.839
  256    HB2  LYS  36           1HB      LYS  36  -6.215  -3.005   6.516
  257    HB3  LYS  36           2HB      LYS  36  -5.362  -3.796   5.177
  258    HG2  LYS  36           1HG      LYS  36  -5.722  -6.014   6.365
  259    HG3  LYS  36           2HG      LYS  36  -6.810  -5.160   7.479
  260    HD2  LYS  36           1HD      LYS  36  -8.216  -4.460   5.532
  261    HD3  LYS  36           2HD      LYS  36  -7.064  -5.244   4.440
  262    HE2  LYS  36           1HE      LYS  36  -8.892  -6.738   4.650
  263    HE3  LYS  36           2HE      LYS  36  -7.541  -7.442   5.537
  264    HZ1  LYS  36           3HZ      LYS  36  -9.816  -5.959   6.762
  265    HZ2  LYS  36           1HZ      LYS  36  -8.582  -6.626   7.604
  266    HZ3  LYS  36           2HZ      LYS  36  -9.628  -7.578   6.791
  267    H    PHE  37           H        PHE  37  -1.967  -4.233   6.308
  268    HA   PHE  37           HA       PHE  37  -1.391  -1.457   5.361
  269    HB2  PHE  37           1HB      PHE  37   0.606  -3.702   5.678
  270    HB3  PHE  37           2HB      PHE  37   0.896  -1.965   5.522
  271    HD1  PHE  37           2HD      PHE  37   0.158  -0.426   7.444
  272    HD2  PHE  37           1HD      PHE  37   0.373  -4.718   7.781
  273    HE1  PHE  37           2HE      PHE  37   0.165  -0.235   9.914
  274    HE2  PHE  37           1HE      PHE  37   0.359  -4.529  10.240
  275    HZ   PHE  37           HZ       PHE  37   0.260  -2.287  11.327
  276    H    ALA  38           H        ALA  38  -1.608  -1.106   3.267
  277    HA   ALA  38           HA       ALA  38  -1.614  -3.295   1.283
  278    HB1  ALA  38           1HB      ALA  38  -2.463  -1.599  -0.255
  279    HB2  ALA  38           2HB      ALA  38  -3.411  -1.579   1.248
  280    HB3  ALA  38           3HB      ALA  38  -2.181  -0.325   0.947
  281    H    CYS  39           H        CYS  39  -0.258  -3.493  -0.507
  282    HA   CYS  39           HA       CYS  39   2.423  -2.448  -0.316
  283    HB2  CYS  39           1HB      CYS  39   1.843  -4.612  -1.179
  284    HB3  CYS  39           2HB      CYS  39   0.843  -3.910  -2.447
  285    H    ASP  40           H        ASP  40   3.452  -0.941  -1.458
  286    HA   ASP  40           HA       ASP  40   1.858   1.294  -2.528
  287    HB2  ASP  40           1HB      ASP  40   3.802   1.585  -0.951
  288    HB3  ASP  40           2HB      ASP  40   4.872   1.021  -2.233
  289    H    TYR  41           H        TYR  41   3.055  -1.565  -3.805
  290    HA   TYR  41           HA       TYR  41   3.614  -0.393  -6.519
  291    HB2  TYR  41           1HB      TYR  41   4.776  -2.853  -5.181
  292    HB3  TYR  41           2HB      TYR  41   5.088  -2.329  -6.820
  293    HD1  TYR  41           2HD      TYR  41   5.542  -1.595  -3.238
  294    HD2  TYR  41           1HD      TYR  41   6.680  -0.511  -7.247
  295    HE1  TYR  41           2HE      TYR  41   7.425  -0.217  -2.330
  296    HE2  TYR  41           1HE      TYR  41   8.581   0.839  -6.349
  297    HH   TYR  41           HH       TYR  41   9.217   1.099  -2.831
  298    H    CYS  42           H        CYS  42   1.828  -2.871  -4.765
  299    HA   CYS  42           HA       CYS  42   0.221  -3.293  -7.208
  300    HB2  CYS  42           1HB      CYS  42   0.154  -5.708  -7.006
  301    HB3  CYS  42           2HB      CYS  42   1.800  -5.137  -7.293
  302    H    SER  43           H        SER  43  -1.702  -4.873  -6.579
  303    HA   SER  43           HA       SER  43  -3.299  -3.515  -4.590
  304    HB2  SER  43           1HB      SER  43  -3.903  -6.056  -6.144
  305    HB3  SER  43           2HB      SER  43  -5.073  -5.031  -5.292
  306    HG   SER  43           HG       SER  43  -5.004  -4.574  -7.542
  307    H    PHE  44           H        PHE  44  -0.896  -5.637  -3.927
  308    HA   PHE  44           HA       PHE  44  -2.043  -7.627  -2.282
  309    HB2  PHE  44           1HB      PHE  44   0.193  -7.717  -3.090
  310    HB3  PHE  44           2HB      PHE  44   0.663  -6.281  -2.206
  311    HD1  PHE  44           2HD      PHE  44  -0.300  -9.869  -1.854
  312    HD2  PHE  44           1HD      PHE  44   1.390  -6.407   0.079
  313    HE1  PHE  44           2HE      PHE  44   0.491 -11.296   0.023
  314    HE2  PHE  44           1HE      PHE  44   2.201  -7.835   1.937
  315    HZ   PHE  44           HZ       PHE  44   1.746 -10.281   1.917
  316    H    THR  45           H        THR  45  -2.232  -7.832  -0.071
  317    HA   THR  45           HA       THR  45  -1.822  -5.547   1.713
  318    HB   THR  45           HB       THR  45  -3.997  -5.889   2.829
  319    HG1  THR  45           1HG      THR  45  -4.734  -7.208   0.431
  320   HG21  THR  45          3HG2      THR  45  -5.361  -4.599   1.248
  321   HG22  THR  45          1HG2      THR  45  -4.176  -4.930  -0.044
  322   HG23  THR  45          2HG2      THR  45  -3.704  -3.996   1.397
  323    H    CYS  46           H        CYS  46  -1.650  -6.056   3.879
  324    HA   CYS  46           HA       CYS  46  -1.682  -8.897   4.723
  325    HB2  CYS  46           1HB      CYS  46   0.578  -8.348   3.659
  326    HB3  CYS  46           2HB      CYS  46   0.846  -7.227   5.013
  327    HG   CYS  46           HG       CYS  46   2.132  -9.565   5.291
  328    H    LEU  47           H        LEU  47  -1.517  -9.192   7.007
  329    HA   LEU  47           HA       LEU  47  -2.417  -6.890   8.634
  330    HB2  LEU  47           1HB      LEU  47  -2.244  -9.853   9.267
  331    HB3  LEU  47           2HB      LEU  47  -2.865  -8.616  10.357
  332    HG   LEU  47           HG       LEU  47  -4.086  -9.372   7.667
  333   HD11  LEU  47          1HD1      LEU  47  -5.057  -9.812  10.521
  334   HD12  LEU  47          2HD1      LEU  47  -4.394 -11.060   9.441
  335   HD13  LEU  47          3HD1      LEU  47  -5.920 -10.260   9.031
  336   HD21  LEU  47          3HD2      LEU  47  -5.019  -7.371   9.775
  337   HD22  LEU  47          1HD2      LEU  47  -5.982  -7.927   8.386
  338   HD23  LEU  47          2HD2      LEU  47  -4.502  -7.001   8.115
  339    H    SER  48           H        SER  48   0.570  -8.207   7.870
  340    HA   SER  48           HA       SER  48   1.775  -7.113  10.384
  341    HB2  SER  48           1HB      SER  48   2.223  -9.432  10.404
  342    HB3  SER  48           2HB      SER  48   2.682  -9.436   8.693
  343    HG   SER  48           HG       SER  48   4.453  -9.375  10.298
  344    H    LYS  49           H        LYS  49   2.967  -5.416  10.176
  345    HA   LYS  49           HA       LYS  49   3.535  -4.123   7.666
  346    HB2  LYS  49           1HB      LYS  49   3.163  -3.181  10.081
  347    HB3  LYS  49           2HB      LYS  49   4.884  -3.499  10.317
  348    HG2  LYS  49           1HG      LYS  49   5.363  -2.063   8.309
  349    HG3  LYS  49           2HG      LYS  49   3.624  -1.739   8.160
  350    HD2  LYS  49           1HD      LYS  49   5.302  -1.045  10.612
  351    HD3  LYS  49           2HD      LYS  49   4.929   0.080   9.295
  352    HE2  LYS  49           1HE      LYS  49   2.524  -0.151   9.721
  353    HE3  LYS  49           2HE      LYS  49   2.837  -1.311  11.021
  354    HZ1  LYS  49           3HZ      LYS  49   4.004   0.418  12.236
  355    HZ2  LYS  49           1HZ      LYS  49   2.491   0.932  11.890
  356    HZ3  LYS  49           2HZ      LYS  49   3.760   1.513  11.036
  357    H    GLY  50           H        GLY  50   5.382  -6.269   9.762
  358    HA2  GLY  50           1HA      GLY  50   7.960  -6.018   8.467
  359    HA3  GLY  50           2HA      GLY  50   7.412  -7.333   9.516
  360    H    HIS  51           H        HIS  51   5.201  -8.344   8.069
  361    HA   HIS  51           HA       HIS  51   6.515  -9.801   5.933
  362    HB2  HIS  51           1HB      HIS  51   3.588  -9.594   6.668
  363    HB3  HIS  51           2HB      HIS  51   4.264 -10.731   5.504
  364    HD1  HIS  51           1HD      HIS  51   2.761 -11.966   7.904
  365    HD2  HIS  51           2HD      HIS  51   6.888 -11.140   7.814
  366    HE1  HIS  51           1HE      HIS  51   3.834 -13.481   9.651
  367    H    LEU  52           H        LEU  52   4.325  -6.943   5.905
  368    HA   LEU  52           HA       LEU  52   4.185  -6.777   3.051
  369    HB2  LEU  52           1HB      LEU  52   2.666  -5.509   4.485
  370    HB3  LEU  52           2HB      LEU  52   4.021  -4.613   5.182
  371    HG   LEU  52           HG       LEU  52   4.520  -3.609   2.953
  372   HD11  LEU  52          1HD1      LEU  52   1.963  -5.024   2.060
  373   HD12  LEU  52          2HD1      LEU  52   3.606  -5.376   1.462
  374   HD13  LEU  52          3HD1      LEU  52   2.882  -3.817   1.138
  375   HD21  LEU  52          3HD2      LEU  52   2.720  -2.065   2.903
  376   HD22  LEU  52          1HD2      LEU  52   2.969  -2.528   4.597
  377   HD23  LEU  52          2HD2      LEU  52   1.620  -3.228   3.662
  378    H    LYS  53           H        LYS  53   6.643  -5.440   5.367
  379    HA   LYS  53           HA       LYS  53   8.267  -4.154   3.401
  380    HB2  LYS  53           1HB      LYS  53   8.682  -3.626   5.645
  381    HB3  LYS  53           2HB      LYS  53   8.693  -5.310   6.162
  382    HG2  LYS  53           1HG      LYS  53  10.814  -5.715   5.032
  383    HG3  LYS  53           2HG      LYS  53  10.850  -4.044   4.430
  384    HD2  LYS  53           1HD      LYS  53  11.116  -3.170   6.660
  385    HD3  LYS  53           2HD      LYS  53  10.681  -4.735   7.401
  386    HE2  LYS  53           1HE      LYS  53  12.614  -5.804   6.394
  387    HE3  LYS  53           2HE      LYS  53  13.084  -4.300   5.591
  388    HZ1  LYS  53           3HZ      LYS  53  12.994  -4.706   8.542
  389    HZ2  LYS  53           1HZ      LYS  53  13.417  -3.307   7.808
  390    HZ3  LYS  53           2HZ      LYS  53  14.354  -4.632   7.646
  391    H    VAL  54           H        VAL  54   8.432  -7.541   4.660
  392    HA   VAL  54           HA       VAL  54  10.489  -8.386   2.902
  393    HB   VAL  54           HB       VAL  54   8.234 -10.006   4.135
  394   HG11  VAL  54          1HG1      VAL  54   9.031 -11.328   2.296
  395   HG12  VAL  54          2HG1      VAL  54  10.730 -10.893   2.620
  396   HG13  VAL  54          3HG1      VAL  54   9.827 -11.955   3.736
  397   HG21  VAL  54          3HG2      VAL  54   9.957 -10.678   5.724
  398   HG22  VAL  54          1HG2      VAL  54  11.181  -9.718   4.853
  399   HG23  VAL  54          2HG2      VAL  54   9.852  -8.914   5.707
  400    H    HIS  55           H        HIS  55   6.939  -8.436   2.298
  401    HA   HIS  55           HA       HIS  55   6.987  -9.557  -0.258
  402    HB2  HIS  55           1HB      HIS  55   4.887  -9.166   0.832
  403    HB3  HIS  55           2HB      HIS  55   5.189  -7.441   0.976
  404    HD1  HIS  55           1HD      HIS  55   4.127  -9.993  -1.684
  405    HD2  HIS  55           2HD      HIS  55   4.511  -5.858  -1.037
  406    HE1  HIS  55           1HE      HIS  55   3.038  -8.874  -3.682
  407    H    ILE  56           H        ILE  56   7.464  -6.057   0.554
  408    HA   ILE  56           HA       ILE  56   7.905  -5.332  -2.236
  409    HB   ILE  56           HB       ILE  56   8.497  -3.862   0.348
  410   HG12  ILE  56          1HG1      ILE  56   6.220  -3.427  -1.644
  411   HG13  ILE  56          2HG1      ILE  56   6.054  -4.403  -0.190
  412   HG21  ILE  56          1HG2      ILE  56   9.923  -3.032  -1.527
  413   HG22  ILE  56          2HG2      ILE  56   8.477  -2.830  -2.533
  414   HG23  ILE  56          3HG2      ILE  56   8.715  -1.838  -1.076
  415   HD11  ILE  56          3HD1      ILE  56   6.645  -1.431  -0.229
  416   HD12  ILE  56          1HD1      ILE  56   5.144  -2.241   0.251
  417   HD13  ILE  56          2HD1      ILE  56   6.608  -2.462   1.227
  418    H    GLU  57           H        GLU  57  10.073  -6.130   0.450
  419    HA   GLU  57           HA       GLU  57  12.547  -5.556  -0.888
  420    HB2  GLU  57           1HB      GLU  57  11.828  -7.409   1.397
  421    HB3  GLU  57           2HB      GLU  57  13.478  -7.033   0.986
  422    HG2  GLU  57           1HG      GLU  57  11.569  -4.748   1.587
  423    HG3  GLU  57           2HG      GLU  57  12.174  -5.762   2.887
  424    H    ARG  58           H        ARG  58  10.391  -8.172  -1.296
  425    HA   ARG  58           HA       ARG  58  12.475  -9.734  -2.798
  426    HB2  ARG  58           1HB      ARG  58  11.482 -11.731  -2.237
  427    HB3  ARG  58           2HB      ARG  58  11.306 -10.761  -0.791
  428    HG2  ARG  58           1HG      ARG  58   8.921 -10.243  -1.569
  429    HG3  ARG  58           2HG      ARG  58   9.166 -11.514  -2.792
  430    HD2  ARG  58           1HD      ARG  58   9.727 -13.093  -0.911
  431    HD3  ARG  58           2HD      ARG  58   9.314 -11.787   0.223
  432    HE   ARG  58           HE       ARG  58   7.162 -12.278  -1.644
  433   HH11  ARG  58          2HH1      ARG  58   8.570 -13.708   1.228
  434   HH12  ARG  58          1HH1      ARG  58   7.069 -14.449   1.705
  435   HH21  ARG  58          2HH2      ARG  58   5.283 -13.282  -0.987
  436   HH22  ARG  58          1HH2      ARG  58   5.266 -14.212   0.479
  437    H    VAL  59           H        VAL  59   9.092  -8.592  -3.123
  438    HA   VAL  59           HA       VAL  59   9.011  -9.698  -5.813
  439    HB   VAL  59           HB       VAL  59   6.881  -8.039  -4.407
  440   HG11  VAL  59          1HG1      VAL  59   6.722  -9.818  -6.875
  441   HG12  VAL  59          2HG1      VAL  59   5.345  -9.047  -6.060
  442   HG13  VAL  59          3HG1      VAL  59   6.562  -8.048  -6.847
  443   HG21  VAL  59          3HG2      VAL  59   7.213 -10.098  -3.156
  444   HG22  VAL  59          1HG2      VAL  59   5.741 -10.258  -4.103
  445   HG23  VAL  59          2HG2      VAL  59   7.228 -11.062  -4.654
  446    H    HIS  60           H        HIS  60   8.935  -6.434  -4.351
  447    HA   HIS  60           HA       HIS  60   9.224  -5.168  -7.008
  448    HB2  HIS  60           1HB      HIS  60   8.397  -3.910  -4.413
  449    HB3  HIS  60           2HB      HIS  60   8.276  -3.214  -6.028
  450    HD1  HIS  60           1HD      HIS  60   6.501  -4.760  -7.721
  451    HD2  HIS  60           2HD      HIS  60   6.287  -5.090  -3.539
  452    HE1  HIS  60           1HE      HIS  60   4.199  -5.724  -7.215
  453    H    LYS  61           H        LYS  61  11.422  -6.374  -5.318
  454    HA   LYS  61           HA       LYS  61  13.274  -4.172  -4.832
  455    HB2  LYS  61           1HB      LYS  61  13.296  -6.294  -3.580
  456    HB3  LYS  61           2HB      LYS  61  13.673  -7.186  -5.042
  457    HG2  LYS  61           1HG      LYS  61  15.644  -6.916  -3.639
  458    HG3  LYS  61           2HG      LYS  61  15.880  -6.148  -5.197
  459    HD2  LYS  61           1HD      LYS  61  16.817  -4.862  -3.286
  460    HD3  LYS  61           2HD      LYS  61  15.638  -3.917  -4.199
  461    HE2  LYS  61           1HE      LYS  61  13.909  -4.338  -2.548
  462    HE3  LYS  61           2HE      LYS  61  14.955  -5.478  -1.685
  463    HZ1  LYS  61           3HZ      LYS  61  15.408  -2.535  -1.905
  464    HZ2  LYS  61           1HZ      LYS  61  16.465  -3.577  -1.247
  465    HZ3  LYS  61           2HZ      LYS  61  14.982  -3.411  -0.554
  466    H    LYS  62           H        LYS  62  15.181  -3.772  -5.992
  467    HA   LYS  62           HA       LYS  62  16.234  -3.010  -7.796
  468    HB2  LYS  62           1HB      LYS  62  16.870  -5.477  -7.673
  469    HB3  LYS  62           2HB      LYS  62  15.826  -5.726  -9.075
  470    HG2  LYS  62           1HG      LYS  62  17.210  -4.062 -10.352
  471    HG3  LYS  62           2HG      LYS  62  18.216  -3.823  -8.913
  472    HD2  LYS  62           1HD      LYS  62  18.875  -6.215  -8.972
  473    HD3  LYS  62           2HD      LYS  62  17.859  -6.458 -10.412
  474    HE2  LYS  62           1HE      LYS  62  19.209  -4.771 -11.642
  475    HE3  LYS  62           2HE      LYS  62  20.218  -4.528 -10.211
  476    HZ1  LYS  62           3HZ      LYS  62  21.251  -6.081 -11.766
  477    HZ2  LYS  62           1HZ      LYS  62  19.970  -7.088 -11.702
  478    HZ3  LYS  62           2HZ      LYS  62  20.902  -6.863 -10.380
  479    H    ILE  63           H        ILE  63  13.936  -1.949  -7.766
  480    HA   ILE  63           HA       ILE  63  12.794  -1.978 -10.522
  481    HB   ILE  63           HB       ILE  63  11.299  -2.701  -8.611
  482   HG12  ILE  63          1HG1      ILE  63  10.322  -0.328 -10.249
  483   HG13  ILE  63          2HG1      ILE  63  10.537  -1.965 -10.874
  484   HG21  ILE  63          1HG2      ILE  63  10.307  -1.035  -7.162
  485   HG22  ILE  63          2HG2      ILE  63  12.054  -0.920  -6.986
  486   HG23  ILE  63          3HG2      ILE  63  11.182   0.282  -7.964
  487   HD11  ILE  63          3HD1      ILE  63   8.884  -2.801  -9.185
  488   HD12  ILE  63          1HD1      ILE  63   8.591  -1.114  -8.694
  489   HD13  ILE  63          2HD1      ILE  63   8.207  -1.636 -10.339
  490    H    LYS  64           H        LYS  64  12.304   0.019 -11.525
  491    HA   LYS  64           HA       LYS  64  14.142   2.203 -10.801
  492    HB2  LYS  64           1HB      LYS  64  12.277   1.870 -13.178
  493    HB3  LYS  64           2HB      LYS  64  13.453   3.169 -12.968
  494    HG2  LYS  64           1HG      LYS  64  14.113   0.196 -13.212
  495    HG3  LYS  64           2HG      LYS  64  14.257   1.405 -14.489
  496    HD2  LYS  64           1HD      LYS  64  15.963   2.630 -13.156
  497    HD3  LYS  64           2HD      LYS  64  15.859   1.389 -11.886
  498    HE2  LYS  64           1HE      LYS  64  16.555  -0.349 -13.472
  499    HE3  LYS  64           2HE      LYS  64  16.616   0.836 -14.785
  500    HZ1  LYS  64           3HZ      LYS  64  18.818   0.413 -13.788
  501    HZ2  LYS  64           1HZ      LYS  64  18.307   0.967 -12.335
  502    HZ3  LYS  64           2HZ      LYS  64  18.396   1.979 -13.613
  503    H    GLN  65           H        GLN  65  13.279   2.753  -8.866
  504    HA   GLN  65           HA       GLN  65  10.742   4.180  -8.548
  505    HB2  GLN  65           1HB      GLN  65  13.169   3.500  -6.921
  506    HB3  GLN  65           2HB      GLN  65  12.465   5.053  -6.540
  507    HG2  GLN  65           1HG      GLN  65  10.909   2.446  -6.603
  508    HG3  GLN  65           2HG      GLN  65  11.605   3.178  -5.157
  509   HE21  GLN  65          1HE2      GLN  65   9.062   2.844  -4.723
  510   HE22  GLN  65          2HE2      GLN  65   8.119   4.298  -5.040
  511    H    HIS  66           H        HIS  66  10.775   6.561  -7.899
  512    HA   HIS  66           HA       HIS  66  13.017   8.084  -9.025
  513    HB2  HIS  66           1HB      HIS  66  11.765   9.514 -10.444
  514    HB3  HIS  66           2HB      HIS  66  11.449   7.858 -10.933
  515    HD1  HIS  66           1HD      HIS  66   8.900   6.936 -10.387
  516    HD2  HIS  66           2HD      HIS  66   9.715  10.987  -9.594
  517    HE1  HIS  66           1HE      HIS  66   6.639   8.069 -10.063
  518    H    CYS  67           H        CYS  67  13.336  10.100  -8.307
  519    HA   CYS  67           HA       CYS  67  12.129  10.960  -5.776
  520    HB2  CYS  67           1HB      CYS  67  14.537  11.080  -6.210
  521    HB3  CYS  67           2HB      CYS  67  14.252  12.067  -7.650
  522    H    ARG  68           H        ARG  68  10.461  12.330  -5.603
  523    HA   ARG  68           HA       ARG  68   9.255  13.511  -8.009
  524    HB2  ARG  68           1HB      ARG  68   7.410  14.125  -6.733
  525    HB3  ARG  68           2HB      ARG  68   7.854  12.511  -6.235
  526    HG2  ARG  68           1HG      ARG  68   8.385  15.106  -4.704
  527    HG3  ARG  68           2HG      ARG  68   7.115  13.941  -4.369
  528    HD2  ARG  68           1HD      ARG  68  10.101  13.505  -4.014
  529    HD3  ARG  68           2HD      ARG  68   8.883  13.731  -2.764
  530    HE   ARG  68           HE       ARG  68   8.471  11.427  -4.584
  531   HH11  ARG  68          2HH1      ARG  68   9.464  12.431  -1.384
  532   HH12  ARG  68          1HH1      ARG  68   9.355  10.812  -0.748
  533   HH21  ARG  68          2HH2      ARG  68   8.434   9.385  -3.735
  534   HH22  ARG  68          1HH2      ARG  68   8.791   9.139  -2.052
  535    H    PHE  69           H        PHE  69  11.633  14.610  -5.840
  536    HA   PHE  69           HA       PHE  69  10.935  17.460  -6.103
  537    HB2  PHE  69           1HB      PHE  69  13.340  16.143  -4.832
  538    HB3  PHE  69           2HB      PHE  69  12.854  17.815  -4.651
  539    HD1  PHE  69           2HD      PHE  69  10.336  18.140  -3.719
  540    HD2  PHE  69           1HD      PHE  69  12.788  14.642  -3.118
  541    HE1  PHE  69           2HE      PHE  69   9.033  17.570  -1.681
  542    HE2  PHE  69           1HE      PHE  69  11.516  14.102  -1.059
  543    HZ   PHE  69           HZ       PHE  69   9.629  15.562  -0.341
  544    H    CYS  70           H        CYS  70  13.383  15.243  -7.445
  545    HA   CYS  70           HA       CYS  70  14.206  17.366  -9.370
  546    HB2  CYS  70           1HB      CYS  70  16.505  16.757  -9.170
  547    HB3  CYS  70           2HB      CYS  70  15.859  17.241  -7.605
  548    H    LYS  71           H        LYS  71  12.691  14.494  -9.298
  549    HA   LYS  71           HA       LYS  71  12.125  12.931 -10.827
  550    HB2  LYS  71           1HB      LYS  71  12.929  15.161 -12.703
  551    HB3  LYS  71           2HB      LYS  71  12.277  13.638 -13.275
  552    HG2  LYS  71           1HG      LYS  71  10.528  15.252 -13.161
  553    HG3  LYS  71           2HG      LYS  71  10.214  13.939 -12.026
  554    HD2  LYS  71           1HD      LYS  71  10.782  15.358 -10.132
  555    HD3  LYS  71           2HD      LYS  71  11.340  16.657 -11.219
  556    HE2  LYS  71           1HE      LYS  71   9.040  16.859 -12.128
  557    HE3  LYS  71           2HE      LYS  71   8.501  15.540 -11.083
  558    HZ1  LYS  71           3HZ      LYS  71   9.057  16.916  -9.150
  559    HZ2  LYS  71           1HZ      LYS  71   7.988  17.701 -10.107
  560    HZ3  LYS  71           2HZ      LYS  71   9.559  18.144 -10.115
  561    H    LYS  72           H        LYS  72  14.963  12.973  -9.811
  562    HA   LYS  72           HA       LYS  72  16.503  11.434 -11.730
  563    HB2  LYS  72           1HB      LYS  72  17.389  12.837  -9.766
  564    HB3  LYS  72           2HB      LYS  72  16.829  11.564  -8.701
  565    HG2  LYS  72           1HG      LYS  72  18.320   9.940  -9.747
  566    HG3  LYS  72           2HG      LYS  72  18.758  11.087 -11.026
  567    HD2  LYS  72           1HD      LYS  72  19.895  12.536  -9.438
  568    HD3  LYS  72           2HD      LYS  72  19.330  11.561  -8.070
  569    HE2  LYS  72           1HE      LYS  72  20.539   9.576  -9.065
  570    HE3  LYS  72           2HE      LYS  72  21.214  10.656 -10.296
  571    HZ1  LYS  72           3HZ      LYS  72  21.611  10.899  -7.364
  572    HZ2  LYS  72           1HZ      LYS  72  22.242  11.936  -8.471
  573    HZ3  LYS  72           2HZ      LYS  72  22.739  10.380  -8.427
  574    H    LYS  73           H        LYS  73  16.636   9.230 -11.982
  575    HA   LYS  73           HA       LYS  73  14.633   7.546 -10.587
  576    HB2  LYS  73           1HB      LYS  73  16.320   7.095 -13.060
  577    HB3  LYS  73           2HB      LYS  73  15.453   5.779 -12.249
  578    HG2  LYS  73           1HG      LYS  73  13.319   6.970 -12.468
  579    HG3  LYS  73           2HG      LYS  73  14.134   8.331 -13.256
  580    HD2  LYS  73           1HD      LYS  73  14.807   6.871 -15.131
  581    HD3  LYS  73           2HD      LYS  73  14.063   5.469 -14.323
  582    HE2  LYS  73           1HE      LYS  73  11.858   6.589 -14.389
  583    HE3  LYS  73           2HE      LYS  73  12.583   8.003 -15.165
  584    HZ1  LYS  73           3HZ      LYS  73  12.493   5.275 -16.350
  585    HZ2  LYS  73           1HZ      LYS  73  13.166   6.584 -17.062
  586    HZ3  LYS  73           2HZ      LYS  73  11.557   6.532 -16.803
  587    H    TYR  74           H        TYR  74  15.023   5.744  -9.473
  588    HA   TYR  74           HA       TYR  74  17.786   5.244  -8.442
  589    HB2  TYR  74           1HB      TYR  74  15.280   6.013  -6.930
  590    HB3  TYR  74           2HB      TYR  74  16.430   4.905  -6.191
  591    HD1  TYR  74           1HD      TYR  74  16.074   8.383  -7.553
  592    HD2  TYR  74           2HD      TYR  74  18.545   5.580  -5.406
  593    HE1  TYR  74           1HE      TYR  74  17.790  10.160  -7.213
  594    HE2  TYR  74           2HE      TYR  74  20.268   7.348  -5.070
  595    HH   TYR  74           HH       TYR  74  20.912   9.447  -5.552
  596    H    SER  75           H        SER  75  18.331   3.138  -8.264
  597    HA   SER  75           HA       SER  75  16.417   1.165  -9.319
  598    HB2  SER  75           1HB      SER  75  19.353   0.850  -8.629
  599    HB3  SER  75           2HB      SER  75  18.331  -0.336  -9.461
  600    HG   SER  75           HG       SER  75  19.146   2.234 -10.356
  601    H    ASP  76           H        ASP  76  17.061   2.182  -6.216
  602    HA   ASP  76           HA       ASP  76  15.598  -0.120  -5.139
  603    HB2  ASP  76           1HB      ASP  76  18.194  -0.353  -4.691
  604    HB3  ASP  76           2HB      ASP  76  17.947   0.935  -3.529
  605    H    VAL  77           H        VAL  77  14.176   0.538  -3.505
  606    HA   VAL  77           HA       VAL  77  13.592   3.363  -3.219
  607    HB   VAL  77           HB       VAL  77  11.899   1.575  -2.958
  608   HG11  VAL  77          1HG1      VAL  77  11.634   0.337  -0.896
  609   HG12  VAL  77          2HG1      VAL  77  13.214  -0.056  -1.586
  610   HG13  VAL  77          3HG1      VAL  77  13.093   1.058  -0.201
  611   HG21  VAL  77          3HG2      VAL  77  11.526   3.860  -2.093
  612   HG22  VAL  77          1HG2      VAL  77  10.689   2.636  -1.123
  613   HG23  VAL  77          2HG2      VAL  77  12.186   3.371  -0.516
  614    H    LYS  78           H        LYS  78  15.547   1.041  -1.353
  615    HA   LYS  78           HA       LYS  78  16.048   2.557   0.982
  616    HB2  LYS  78           1HB      LYS  78  17.875   0.700  -0.620
  617    HB3  LYS  78           2HB      LYS  78  18.314   1.340   0.956
  618    HG2  LYS  78           1HG      LYS  78  15.859  -0.391   0.444
  619    HG3  LYS  78           2HG      LYS  78  17.427  -0.975   1.010
  620    HD2  LYS  78           1HD      LYS  78  17.221   0.635   2.977
  621    HD3  LYS  78           2HD      LYS  78  15.541   0.909   2.499
  622    HE2  LYS  78           1HE      LYS  78  16.778  -1.812   3.129
  623    HE3  LYS  78           2HE      LYS  78  15.887  -0.837   4.301
  624    HZ1  LYS  78           3HZ      LYS  78  14.706  -1.814   1.756
  625    HZ2  LYS  78           1HZ      LYS  78  13.903  -1.077   2.987
  626    HZ3  LYS  78           2HZ      LYS  78  14.548  -2.588   3.153
  627    H    ASN  79           H        ASN  79  17.788   2.799  -2.143
  628    HA   ASN  79           HA       ASN  79  19.468   4.944  -1.071
  629    HB2  ASN  79           1HB      ASN  79  19.207   3.645  -3.811
  630    HB3  ASN  79           2HB      ASN  79  20.261   5.030  -3.522
  631   HD21  ASN  79          1HD2      ASN  79  21.001   2.249  -4.297
  632   HD22  ASN  79          2HD2      ASN  79  22.133   1.764  -3.047
  633    H    LEU  80           H        LEU  80  16.390   4.892  -2.769
  634    HA   LEU  80           HA       LEU  80  16.403   7.670  -3.517
  635    HB2  LEU  80           1HB      LEU  80  14.744   6.030  -4.370
  636    HB3  LEU  80           2HB      LEU  80  14.118   5.835  -2.729
  637    HG   LEU  80           HG       LEU  80  13.416   8.210  -2.686
  638   HD11  LEU  80          1HD1      LEU  80  15.012   9.157  -4.323
  639   HD12  LEU  80          2HD1      LEU  80  13.343   9.490  -4.762
  640   HD13  LEU  80          3HD1      LEU  80  14.239   8.213  -5.619
  641   HD21  LEU  80          3HD2      LEU  80  11.513   7.986  -4.164
  642   HD22  LEU  80          1HD2      LEU  80  11.849   6.426  -3.392
  643   HD23  LEU  80          2HD2      LEU  80  12.325   6.709  -5.083
  644    H    ILE  81           H        ILE  81  15.372   5.982  -0.480
  645    HA   ILE  81           HA       ILE  81  14.548   8.324   0.915
  646    HB   ILE  81           HB       ILE  81  15.891   5.933   2.213
  647   HG12  ILE  81          1HG1      ILE  81  14.272   4.914   0.906
  648   HG13  ILE  81          2HG1      ILE  81  13.645   4.969   2.511
  649   HG21  ILE  81          1HG2      ILE  81  15.556   7.810   3.716
  650   HG22  ILE  81          2HG2      ILE  81  13.861   7.972   3.201
  651   HG23  ILE  81          3HG2      ILE  81  14.394   6.538   4.111
  652   HD11  ILE  81          3HD1      ILE  81  12.788   6.783   0.218
  653   HD12  ILE  81          1HD1      ILE  81  11.859   5.459   0.941
  654   HD13  ILE  81          2HD1      ILE  81  12.196   6.919   1.892
  655    H    LYS  82           H        LYS  82  17.730   6.716   0.845
  656    HA   LYS  82           HA       LYS  82  19.175   8.511   2.479
  657    HB2  LYS  82           1HB      LYS  82  19.863   6.248   1.673
  658    HB3  LYS  82           2HB      LYS  82  20.072   6.894   0.044
  659    HG2  LYS  82           1HG      LYS  82  21.869   8.421   0.942
  660    HG3  LYS  82           2HG      LYS  82  21.738   7.582   2.498
  661    HD2  LYS  82           1HD      LYS  82  22.380   6.277  -0.193
  662    HD3  LYS  82           2HD      LYS  82  23.585   6.725   1.018
  663    HE2  LYS  82           1HE      LYS  82  22.757   5.114   2.601
  664    HE3  LYS  82           2HE      LYS  82  21.309   4.797   1.639
  665    HZ1  LYS  82           3HZ      LYS  82  24.047   4.162   0.701
  666    HZ2  LYS  82           1HZ      LYS  82  22.635   3.780  -0.056
  667    HZ3  LYS  82           2HZ      LYS  82  23.024   3.076   1.363
  668    H    HIS  83           H        HIS  83  18.675   8.670  -1.074
  669    HA   HIS  83           HA       HIS  83  20.048  11.134  -1.559
  670    HB2  HIS  83           1HB      HIS  83  19.463   9.717  -3.379
  671    HB3  HIS  83           2HB      HIS  83  17.771   9.649  -2.915
  672    HD1  HIS  83           1HD      HIS  83  20.235  12.181  -4.458
  673    HD2  HIS  83           2HD      HIS  83  16.141  11.434  -3.877
  674    HE1  HIS  83           1HE      HIS  83  19.023  13.911  -5.861
  675    H    ILE  84           H        ILE  84  16.579  10.613  -0.692
  676    HA   ILE  84           HA       ILE  84  15.932  13.414  -0.708
  677    HB   ILE  84           HB       ILE  84  14.707  10.997   0.622
  678   HG12  ILE  84          1HG1      ILE  84  13.590  12.707  -1.633
  679   HG13  ILE  84          2HG1      ILE  84  14.690  11.370  -1.943
  680   HG21  ILE  84          1HG2      ILE  84  13.606  13.848   0.618
  681   HG22  ILE  84          2HG2      ILE  84  12.691  12.407   1.104
  682   HG23  ILE  84          3HG2      ILE  84  14.085  12.905   2.045
  683   HD11  ILE  84          3HD1      ILE  84  11.983  11.127  -0.596
  684   HD12  ILE  84          1HD1      ILE  84  12.443  10.573  -2.218
  685   HD13  ILE  84          2HD1      ILE  84  13.162   9.808  -0.780
  686    H    ARG  85           H        ARG  85  17.053  11.298   1.945
  687    HA   ARG  85           HA       ARG  85  17.144  13.328   3.982
  688    HB2  ARG  85           1HB      ARG  85  18.722  10.741   3.640
  689    HB3  ARG  85           2HB      ARG  85  18.780  11.759   5.085
  690    HG2  ARG  85           1HG      ARG  85  16.377  11.484   5.433
  691    HG3  ARG  85           2HG      ARG  85  16.235  10.493   3.990
  692    HD2  ARG  85           1HD      ARG  85  16.289   9.023   5.907
  693    HD3  ARG  85           2HD      ARG  85  17.757   8.807   4.965
  694    HE   ARG  85           HE       ARG  85  19.035   9.616   6.724
  695   HH11  ARG  85          2HH1      ARG  85  15.690  10.311   7.522
  696   HH12  ARG  85          1HH1      ARG  85  16.091  10.796   9.146
  697   HH21  ARG  85          2HH2      ARG  85  19.466  10.255   8.799
  698   HH22  ARG  85          1HH2      ARG  85  18.171  10.761   9.843
  699    H    ASP  86           H        ASP  86  19.385  12.745   1.390
  700    HA   ASP  86           HA       ASP  86  21.476  14.464   2.624
  701    HB2  ASP  86           1HB      ASP  86  21.399  12.749   0.121
  702    HB3  ASP  86           2HB      ASP  86  22.723  13.844   0.495
  703    H    ALA  87           H        ALA  87  19.373  14.527  -0.275
  704    HA   ALA  87           HA       ALA  87  20.438  17.202  -1.006
  705    HB1  ALA  87           1HB      ALA  87  19.542  16.664  -3.214
  706    HB2  ALA  87           2HB      ALA  87  20.565  15.338  -2.624
  707    HB3  ALA  87           3HB      ALA  87  18.793  15.183  -2.582
  708    H    HIS  88           H        HIS  88  17.434  15.737   0.122
  709    HA   HIS  88           HA       HIS  88  15.970  18.305  -0.302
  710    HB2  HIS  88           1HB      HIS  88  14.860  15.498  -0.535
  711    HB3  HIS  88           2HB      HIS  88  14.036  17.006  -0.885
  712    HD1  HIS  88           1HD      HIS  88  15.716  18.449  -2.966
  713    HD2  HIS  88           2HD      HIS  88  15.439  14.268  -2.688
  714    HE1  HIS  88           1HE      HIS  88  16.329  17.562  -5.270
  715    H    ASP  89           H        ASP  89  17.379  17.321   2.127
  716    HA   ASP  89           HA       ASP  89  15.810  16.138   3.994
  717    HB2  ASP  89           1HB      ASP  89  17.292  16.932   5.675
  718    HB3  ASP  89           2HB      ASP  89  18.206  16.582   4.217
  719    HA   PRO  90           HA       PRO  90  12.550  18.929   4.825
  720    HB2  PRO  90           1HB      PRO  90  11.366  17.815   7.023
  721    HB3  PRO  90           2HB      PRO  90  11.369  17.045   5.406
  722    HG2  PRO  90           1HG      PRO  90  13.248  16.507   7.730
  723    HG3  PRO  90           2HG      PRO  90  12.365  15.314   6.723
  724    HD2  PRO  90           1HD      PRO  90  14.969  15.960   6.230
  725    HD3  PRO  90           2HD      PRO  90  13.828  15.641   4.890
  726    H    GLN  91           H        GLN  91  11.910  20.721   5.942
  727    HA   GLN  91           HA       GLN  91  12.916  21.319   8.639
  728    HB2  GLN  91           1HB      GLN  91  14.568  22.404   7.270
  729    HB3  GLN  91           2HB      GLN  91  13.355  22.970   6.128
  730    HG2  GLN  91           1HG      GLN  91  14.137  24.824   7.415
  731    HG3  GLN  91           2HG      GLN  91  12.446  24.528   7.771
  732   HE21  GLN  91          1HE2      GLN  91  13.416  26.094   9.608
  733   HE22  GLN  91          2HE2      GLN  91  13.914  25.234  11.059
  734    H    ASP  92           H        ASP  92  11.361  22.204   9.861
  735    HA   ASP  92           HA       ASP  92   9.030  23.622   8.717
  736    HB2  ASP  92           1HB      ASP  92   8.344  21.257   8.759
  737    HB3  ASP  92           2HB      ASP  92   8.774  21.142  10.461
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1  22.604 -35.398   4.880
    2    H2   GLY   1           2H       GLY   1  21.889 -34.873   3.501
    3    H3   GLY   1           3H       GLY   1  22.106 -36.478   3.754
    4    HA2  GLY   1           1HA      GLY   1  20.341 -34.728   5.338
    5    HA3  GLY   1           2HA      GLY   1  19.799 -35.883   4.107
    6    H    SER   2           H        SER   2  19.416 -35.637   7.133
    7    HA   SER   2           HA       SER   2  20.084 -38.451   7.890
    8    HB2  SER   2           1HB      SER   2  20.523 -35.995   9.631
    9    HB3  SER   2           2HB      SER   2  20.729 -37.681  10.134
   10    HG   SER   2           HG       SER   2  22.719 -36.698   9.527
   11    H    SER   3           H        SER   3  18.742 -39.386   9.471
   12    HA   SER   3           HA       SER   3  15.977 -38.633   9.427
   13    HB2  SER   3           1HB      SER   3  17.416 -40.595  11.253
   14    HB3  SER   3           2HB      SER   3  15.668 -40.509  10.971
   15    HG   SER   3           HG       SER   3  16.687 -42.110   9.665
   16    H    GLY   4           H        GLY   4  14.579 -38.085  11.181
   17    HA2  GLY   4           1HA      GLY   4  15.444 -37.325  13.802
   18    HA3  GLY   4           2HA      GLY   4  15.329 -35.892  12.779
   19    H    SER   5           H        SER   5  13.766 -35.684  14.788
   20    HA   SER   5           HA       SER   5  11.217 -36.955  14.763
   21    HB2  SER   5           1HB      SER   5  12.001 -34.262  15.933
   22    HB3  SER   5           2HB      SER   5  10.557 -35.206  16.348
   23    HG   SER   5           HG       SER   5  12.273 -35.545  17.842
   24    H    SER   6           H        SER   6   9.135 -36.112  14.318
   25    HA   SER   6           HA       SER   6   8.838 -33.812  12.486
   26    HB2  SER   6           1HB      SER   6   9.365 -35.897  11.122
   27    HB3  SER   6           2HB      SER   6   7.823 -36.564  11.691
   28    HG   SER   6           HG       SER   6   7.685 -35.451   9.649
   29    H    GLY   7           H        GLY   7   6.408 -33.726  11.824
   30    HA2  GLY   7           1HA      GLY   7   4.123 -33.782  12.438
   31    HA3  GLY   7           2HA      GLY   7   4.528 -34.354  14.051
   32    H    LYS   8           H        LYS   8   2.781 -32.211  13.266
   33    HA   LYS   8           HA       LYS   8   4.024 -29.707  14.234
   34    HB2  LYS   8           1HB      LYS   8   1.788 -30.263  12.262
   35    HB3  LYS   8           2HB      LYS   8   2.286 -28.652  12.771
   36    HG2  LYS   8           1HG      LYS   8   4.523 -28.985  11.810
   37    HG3  LYS   8           2HG      LYS   8   4.120 -30.646  11.375
   38    HD2  LYS   8           1HD      LYS   8   2.330 -29.826   9.863
   39    HD3  LYS   8           2HD      LYS   8   2.721 -28.151  10.306
   40    HE2  LYS   8           1HE      LYS   8   5.030 -28.467   9.430
   41    HE3  LYS   8           2HE      LYS   8   4.634 -30.131   8.986
   42    HZ1  LYS   8           3HZ      LYS   8   4.412 -28.631   7.089
   43    HZ2  LYS   8           1HZ      LYS   8   3.311 -27.714   7.869
   44    HZ3  LYS   8           2HZ      LYS   8   2.950 -29.254   7.455
   45    HA   PRO   9           HA       PRO   9   0.790 -30.980  17.360
   46    HB2  PRO   9           1HB      PRO   9   2.235 -30.267  19.624
   47    HB3  PRO   9           2HB      PRO   9   2.321 -31.830  18.776
   48    HG2  PRO   9           1HG      PRO   9   4.210 -29.525  18.493
   49    HG3  PRO   9           2HG      PRO   9   4.593 -31.257  18.724
   50    HD2  PRO   9           1HD      PRO   9   4.573 -30.119  16.256
   51    HD3  PRO   9           2HD      PRO   9   4.013 -31.774  16.494
   52    H    TYR  10           H        TYR  10   2.632 -27.938  17.143
   53    HA   TYR  10           HA       TYR  10   0.777 -26.514  18.871
   54    HB2  TYR  10           1HB      TYR  10   3.042 -25.521  17.108
   55    HB3  TYR  10           2HB      TYR  10   2.156 -24.545  18.259
   56    HD1  TYR  10           2HD      TYR  10   4.537 -27.376  17.909
   57    HD2  TYR  10           1HD      TYR  10   2.526 -24.730  20.662
   58    HE1  TYR  10           2HE      TYR  10   6.097 -28.067  19.698
   59    HE2  TYR  10           1HE      TYR  10   4.064 -25.472  22.479
   60    HH   TYR  10           HH       TYR  10   6.694 -27.837  21.910
   61    H    LYS  11           H        LYS  11  -1.239 -26.084  18.190
   62    HA   LYS  11           HA       LYS  11  -1.826 -25.568  15.311
   63    HB2  LYS  11           1HB      LYS  11  -3.818 -26.085  17.539
   64    HB3  LYS  11           2HB      LYS  11  -4.091 -26.164  15.805
   65    HG2  LYS  11           1HG      LYS  11  -2.506 -28.114  17.514
   66    HG3  LYS  11           2HG      LYS  11  -4.069 -28.374  16.750
   67    HD2  LYS  11           1HD      LYS  11  -3.004 -28.207  14.500
   68    HD3  LYS  11           2HD      LYS  11  -1.437 -27.936  15.278
   69    HE2  LYS  11           1HE      LYS  11  -1.484 -30.221  14.648
   70    HE3  LYS  11           2HE      LYS  11  -1.608 -30.146  16.405
   71    HZ1  LYS  11           3HZ      LYS  11  -4.009 -30.542  16.183
   72    HZ2  LYS  11           1HZ      LYS  11  -3.187 -31.734  15.436
   73    HZ3  LYS  11           2HZ      LYS  11  -3.900 -30.565  14.549
   74    H    CYS  12           H        CYS  12  -3.096 -23.855  14.585
   75    HA   CYS  12           HA       CYS  12  -3.103 -21.415  16.165
   76    HB2  CYS  12           1HB      CYS  12  -2.597 -21.390  13.830
   77    HB3  CYS  12           2HB      CYS  12  -4.152 -22.140  13.428
   78    HA   PRO  13           HA       PRO  13  -7.270 -22.221  17.756
   79    HB2  PRO  13           1HB      PRO  13  -7.705 -19.887  19.083
   80    HB3  PRO  13           2HB      PRO  13  -6.496 -21.085  19.636
   81    HG2  PRO  13           1HG      PRO  13  -6.033 -18.563  18.023
   82    HG3  PRO  13           2HG      PRO  13  -5.125 -19.150  19.450
   83    HD2  PRO  13           1HD      PRO  13  -4.333 -19.581  16.825
   84    HD3  PRO  13           2HD      PRO  13  -3.928 -20.694  18.162
   85    H    GLN  14           H        GLN  14  -6.403 -19.936  15.315
   86    HA   GLN  14           HA       GLN  14  -9.245 -19.094  14.895
   87    HB2  GLN  14           1HB      GLN  14  -6.731 -17.702  13.929
   88    HB3  GLN  14           2HB      GLN  14  -8.395 -17.145  13.814
   89    HG2  GLN  14           1HG      GLN  14  -8.270 -17.519  16.496
   90    HG3  GLN  14           2HG      GLN  14  -6.554 -17.285  16.181
   91   HE21  GLN  14          1HE2      GLN  14  -6.598 -15.302  17.473
   92   HE22  GLN  14          2HE2      GLN  14  -7.344 -13.853  16.813
   93    H    CYS  15           H        CYS  15  -6.535 -20.726  13.282
   94    HA   CYS  15           HA       CYS  15  -8.430 -21.399  11.100
   95    HB2  CYS  15           1HB      CYS  15  -6.964 -20.771   9.328
   96    HB3  CYS  15           2HB      CYS  15  -7.233 -19.372  10.356
   97    H    SER  16           H        SER  16  -7.017 -22.870   9.438
   98    HA   SER  16           HA       SER  16  -6.671 -25.348  10.901
   99    HB2  SER  16           1HB      SER  16  -6.368 -26.313   8.634
  100    HB3  SER  16           2HB      SER  16  -7.835 -25.339   8.796
  101    HG   SER  16           HG       SER  16  -6.678 -24.867   6.860
  102    H    TYR  17           H        TYR  17  -4.479 -22.910  10.559
  103    HA   TYR  17           HA       TYR  17  -2.090 -24.136   9.688
  104    HB2  TYR  17           1HB      TYR  17  -2.379 -21.745   9.920
  105    HB3  TYR  17           2HB      TYR  17  -2.606 -21.885  11.652
  106    HD1  TYR  17           1HD      TYR  17  -0.180 -22.168   8.846
  107    HD2  TYR  17           2HD      TYR  17  -0.635 -22.094  13.140
  108    HE1  TYR  17           1HE      TYR  17   2.277 -21.874   9.106
  109    HE2  TYR  17           2HE      TYR  17   1.821 -21.765  13.391
  110    HH   TYR  17           HH       TYR  17   4.007 -21.591  10.555
  111    H    ALA  18           H        ALA  18  -0.381 -25.081  10.654
  112    HA   ALA  18           HA       ALA  18  -0.268 -25.564  13.524
  113    HB1  ALA  18           1HB      ALA  18  -1.594 -27.497  12.655
  114    HB2  ALA  18           2HB      ALA  18  -0.268 -27.890  11.544
  115    HB3  ALA  18           3HB      ALA  18  -0.018 -27.996  13.298
  116    H    SER  19           H        SER  19   1.876 -26.100  14.251
  117    HA   SER  19           HA       SER  19   3.964 -26.608  12.228
  118    HB2  SER  19           1HB      SER  19   3.860 -24.101  12.515
  119    HB3  SER  19           2HB      SER  19   4.344 -24.334  14.205
  120    HG   SER  19           HG       SER  19   5.760 -25.091  11.837
  121    H    ALA  20           H        ALA  20   5.717 -27.763  12.970
  122    HA   ALA  20           HA       ALA  20   5.885 -29.071  15.416
  123    HB1  ALA  20           1HB      ALA  20   8.145 -28.295  13.564
  124    HB2  ALA  20           2HB      ALA  20   8.102 -29.651  14.722
  125    HB3  ALA  20           3HB      ALA  20   7.030 -29.663  13.317
  126    H    ILE  21           H        ILE  21   6.511 -25.713  14.990
  127    HA   ILE  21           HA       ILE  21   8.214 -25.615  17.459
  128    HB   ILE  21           HB       ILE  21   8.368 -23.911  14.959
  129   HG12  ILE  21          1HG1      ILE  21  10.248 -26.071  16.023
  130   HG13  ILE  21          2HG1      ILE  21   9.251 -26.178  14.571
  131   HG21  ILE  21          1HG2      ILE  21   8.958 -22.618  16.971
  132   HG22  ILE  21          2HG2      ILE  21  10.135 -23.866  17.446
  133   HG23  ILE  21          3HG2      ILE  21  10.362 -22.885  15.978
  134   HD11  ILE  21          3HD1      ILE  21  10.551 -24.273  13.575
  135   HD12  ILE  21          1HD1      ILE  21  11.676 -24.404  14.953
  136   HD13  ILE  21          2HD1      ILE  21  11.466 -25.768  13.851
  137    H    LYS  22           H        LYS  22   7.584 -24.338  19.083
  138    HA   LYS  22           HA       LYS  22   5.039 -23.045  19.169
  139    HB2  LYS  22           1HB      LYS  22   6.293 -23.976  21.090
  140    HB3  LYS  22           2HB      LYS  22   7.410 -22.604  21.011
  141    HG2  LYS  22           1HG      LYS  22   5.616 -21.033  21.512
  142    HG3  LYS  22           2HG      LYS  22   4.384 -22.275  21.250
  143    HD2  LYS  22           1HD      LYS  22   4.611 -21.903  23.603
  144    HD3  LYS  22           2HD      LYS  22   5.193 -23.525  23.202
  145    HE2  LYS  22           1HE      LYS  22   7.540 -22.711  23.291
  146    HE3  LYS  22           2HE      LYS  22   6.966 -21.077  23.649
  147    HZ1  LYS  22           3HZ      LYS  22   7.610 -22.255  25.673
  148    HZ2  LYS  22           1HZ      LYS  22   6.541 -23.453  25.386
  149    HZ3  LYS  22           2HZ      LYS  22   6.010 -21.944  25.719
  150    H    ALA  23           H        ALA  23   8.287 -21.644  18.657
  151    HA   ALA  23           HA       ALA  23   7.526 -18.916  18.543
  152    HB1  ALA  23           1HB      ALA  23   9.663 -18.594  17.393
  153    HB2  ALA  23           2HB      ALA  23   9.851 -19.728  18.743
  154    HB3  ALA  23           3HB      ALA  23   9.788 -20.334  17.070
  155    H    ASN  24           H        ASN  24   7.350 -21.409  15.983
  156    HA   ASN  24           HA       ASN  24   6.606 -19.576  13.865
  157    HB2  ASN  24           1HB      ASN  24   6.276 -22.584  14.243
  158    HB3  ASN  24           2HB      ASN  24   5.764 -21.737  12.806
  159   HD21  ASN  24          1HD2      ASN  24   7.419 -23.725  12.432
  160   HD22  ASN  24          2HD2      ASN  24   9.017 -23.120  11.978
  161    H    LEU  25           H        LEU  25   4.692 -21.474  16.274
  162    HA   LEU  25           HA       LEU  25   2.164 -20.523  15.267
  163    HB2  LEU  25           1HB      LEU  25   2.281 -22.469  16.719
  164    HB3  LEU  25           2HB      LEU  25   2.939 -21.495  18.037
  165    HG   LEU  25           HG       LEU  25   0.847 -20.192  18.169
  166   HD11  LEU  25          1HD1      LEU  25   0.027 -20.320  15.845
  167   HD12  LEU  25          2HD1      LEU  25  -1.169 -20.951  16.969
  168   HD13  LEU  25          3HD1      LEU  25  -0.188 -22.078  16.002
  169   HD21  LEU  25          3HD2      LEU  25  -0.558 -21.918  19.116
  170   HD22  LEU  25          1HD2      LEU  25   1.136 -22.273  19.498
  171   HD23  LEU  25          2HD2      LEU  25   0.297 -23.177  18.212
  172    H    ASN  26           H        ASN  26   4.313 -19.192  17.861
  173    HA   ASN  26           HA       ASN  26   2.754 -16.950  18.557
  174    HB2  ASN  26           1HB      ASN  26   5.789 -17.024  18.193
  175    HB3  ASN  26           2HB      ASN  26   4.904 -15.817  19.100
  176   HD21  ASN  26          1HD2      ASN  26   7.017 -17.201  20.064
  177   HD22  ASN  26          2HD2      ASN  26   6.463 -18.176  21.434
  178    H    VAL  27           H        VAL  27   5.141 -17.205  15.880
  179    HA   VAL  27           HA       VAL  27   4.809 -14.496  15.053
  180    HB   VAL  27           HB       VAL  27   6.674 -16.353  14.571
  181   HG11  VAL  27          1HG1      VAL  27   5.314 -16.271  11.873
  182   HG12  VAL  27          2HG1      VAL  27   6.910 -16.938  12.271
  183   HG13  VAL  27          3HG1      VAL  27   5.473 -17.693  12.933
  184   HG21  VAL  27          3HG2      VAL  27   5.940 -13.987  12.837
  185   HG22  VAL  27          1HG2      VAL  27   6.873 -13.950  14.367
  186   HG23  VAL  27          2HG2      VAL  27   7.571 -14.718  12.928
  187    H    HIS  28           H        HIS  28   3.302 -17.462  13.994
  188    HA   HIS  28           HA       HIS  28   1.925 -16.472  11.758
  189    HB2  HIS  28           1HB      HIS  28   2.228 -18.813  12.179
  190    HB3  HIS  28           2HB      HIS  28   1.365 -18.742  13.711
  191    HD1  HIS  28           1HD      HIS  28   0.537 -18.838   9.981
  192    HD2  HIS  28           2HD      HIS  28  -1.287 -18.719  13.759
  193    HE1  HIS  28           1HE      HIS  28  -1.956 -19.103   9.558
  194    H    LEU  29           H        LEU  29   0.893 -16.533  15.186
  195    HA   LEU  29           HA       LEU  29  -1.807 -15.733  14.845
  196    HB2  LEU  29           1HB      LEU  29   0.162 -15.224  17.097
  197    HB3  LEU  29           2HB      LEU  29  -1.559 -14.908  17.245
  198    HG   LEU  29           HG       LEU  29  -0.490 -17.661  16.562
  199   HD11  LEU  29          1HD1      LEU  29  -0.743 -18.225  18.947
  200   HD12  LEU  29          2HD1      LEU  29  -1.177 -16.539  19.312
  201   HD13  LEU  29          3HD1      LEU  29   0.454 -16.941  18.737
  202   HD21  LEU  29          3HD2      LEU  29  -3.139 -16.729  17.714
  203   HD22  LEU  29          1HD2      LEU  29  -2.619 -18.415  17.504
  204   HD23  LEU  29          2HD2      LEU  29  -2.857 -17.396  16.082
  205    H    ARG  30           H        ARG  30   1.053 -13.806  14.540
  206    HA   ARG  30           HA       ARG  30   0.077 -11.213  15.122
  207    HB2  ARG  30           1HB      ARG  30   2.154 -12.052  13.051
  208    HB3  ARG  30           2HB      ARG  30   1.925 -10.413  13.648
  209    HG2  ARG  30           1HG      ARG  30   2.465 -11.127  15.950
  210    HG3  ARG  30           2HG      ARG  30   2.709 -12.790  15.386
  211    HD2  ARG  30           1HD      ARG  30   4.531 -12.031  13.899
  212    HD3  ARG  30           2HD      ARG  30   4.296 -10.364  14.467
  213    HE   ARG  30           HE       ARG  30   4.699 -12.040  16.733
  214   HH11  ARG  30          2HH1      ARG  30   6.599 -10.772  14.078
  215   HH12  ARG  30          1HH1      ARG  30   8.082 -10.826  14.990
  216   HH21  ARG  30          2HH2      ARG  30   6.627 -12.078  17.845
  217   HH22  ARG  30          1HH2      ARG  30   8.089 -11.553  17.066
  218    H    LYS  31           H        LYS  31  -0.489 -13.158  12.248
  219    HA   LYS  31           HA       LYS  31  -1.594 -10.944  10.686
  220    HB2  LYS  31           1HB      LYS  31  -1.830 -12.425   8.958
  221    HB3  LYS  31           2HB      LYS  31  -0.440 -13.053   9.845
  222    HG2  LYS  31           1HG      LYS  31  -2.032 -14.758  10.908
  223    HG3  LYS  31           2HG      LYS  31  -3.298 -14.133   9.857
  224    HD2  LYS  31           1HD      LYS  31  -2.407 -16.111   8.836
  225    HD3  LYS  31           2HD      LYS  31  -1.946 -14.710   7.859
  226    HE2  LYS  31           1HE      LYS  31   0.314 -14.745   9.037
  227    HE3  LYS  31           2HE      LYS  31  -0.184 -16.238   9.835
  228    HZ1  LYS  31           3HZ      LYS  31   0.057 -15.831   6.889
  229    HZ2  LYS  31           1HZ      LYS  31  -0.423 -17.227   7.577
  230    HZ3  LYS  31           2HZ      LYS  31   1.104 -16.678   7.802
  231    H    HIS  32           H        HIS  32  -2.874 -12.919  13.091
  232    HA   HIS  32           HA       HIS  32  -5.703 -12.525  12.315
  233    HB2  HIS  32           1HB      HIS  32  -4.445 -14.019  14.643
  234    HB3  HIS  32           2HB      HIS  32  -6.157 -13.930  14.286
  235    HD1  HIS  32           1HD      HIS  32  -6.339 -14.618  11.270
  236    HD2  HIS  32           2HD      HIS  32  -3.747 -16.446  14.024
  237    HE1  HIS  32           1HE      HIS  32  -5.765 -16.874  10.272
  238    H    THR  33           H        THR  33  -3.769 -10.325  13.337
  239    HA   THR  33           HA       THR  33  -5.760  -8.830  14.888
  240    HB   THR  33           HB       THR  33  -4.548  -9.958  16.634
  241    HG1  THR  33           1HG      THR  33  -3.937  -8.228  17.826
  242   HG21  THR  33          3HG2      THR  33  -1.999  -8.764  15.505
  243   HG22  THR  33          1HG2      THR  33  -2.427 -10.491  15.617
  244   HG23  THR  33          2HG2      THR  33  -2.153  -9.556  17.092
  245    H    GLY  34           H        GLY  34  -4.515  -6.605  15.428
  246    HA2  GLY  34           1HA      GLY  34  -3.250  -4.836  14.793
  247    HA3  GLY  34           2HA      GLY  34  -2.512  -5.821  13.535
  248    H    GLU  35           H        GLU  35  -2.554  -4.272  11.891
  249    HA   GLU  35           HA       GLU  35  -5.183  -3.279  10.899
  250    HB2  GLU  35           1HB      GLU  35  -3.949  -1.563  12.202
  251    HB3  GLU  35           2HB      GLU  35  -2.542  -1.798  11.169
  252    HG2  GLU  35           1HG      GLU  35  -3.692   0.218  10.577
  253    HG3  GLU  35           2HG      GLU  35  -3.773  -0.904   9.234
  254    H    LYS  36           H        LYS  36  -5.389  -2.843   8.694
  255    HA   LYS  36           HA       LYS  36  -3.774  -4.638   6.973
  256    HB2  LYS  36           1HB      LYS  36  -6.201  -2.902   6.396
  257    HB3  LYS  36           2HB      LYS  36  -5.293  -3.804   5.172
  258    HG2  LYS  36           1HG      LYS  36  -5.658  -5.897   6.574
  259    HG3  LYS  36           2HG      LYS  36  -6.813  -4.967   7.543
  260    HD2  LYS  36           1HD      LYS  36  -8.198  -4.549   5.568
  261    HD3  LYS  36           2HD      LYS  36  -6.973  -5.299   4.511
  262    HE2  LYS  36           1HE      LYS  36  -7.273  -7.460   5.603
  263    HE3  LYS  36           2HE      LYS  36  -8.421  -6.763   6.759
  264    HZ1  LYS  36           3HZ      LYS  36  -9.574  -7.880   4.936
  265    HZ2  LYS  36           1HZ      LYS  36  -8.857  -6.930   3.821
  266    HZ3  LYS  36           2HZ      LYS  36  -9.913  -6.285   4.889
  267    H    PHE  37           H        PHE  37  -1.945  -4.106   6.460
  268    HA   PHE  37           HA       PHE  37  -1.304  -1.388   5.412
  269    HB2  PHE  37           1HB      PHE  37   0.625  -3.672   5.862
  270    HB3  PHE  37           2HB      PHE  37   0.969  -1.953   5.636
  271    HD1  PHE  37           2HD      PHE  37   0.309  -0.304   7.465
  272    HD2  PHE  37           1HD      PHE  37   0.250  -4.577   8.016
  273    HE1  PHE  37           2HE      PHE  37   0.273   0.013   9.919
  274    HE2  PHE  37           1HE      PHE  37   0.219  -4.265  10.462
  275    HZ   PHE  37           HZ       PHE  37   0.170  -1.970  11.437
  276    H    ALA  38           H        ALA  38  -1.518  -1.087   3.319
  277    HA   ALA  38           HA       ALA  38  -1.532  -3.326   1.384
  278    HB1  ALA  38           1HB      ALA  38  -2.451  -1.687  -0.169
  279    HB2  ALA  38           2HB      ALA  38  -3.362  -1.640   1.354
  280    HB3  ALA  38           3HB      ALA  38  -2.164  -0.376   0.992
  281    H    CYS  39           H        CYS  39  -0.219  -3.508  -0.451
  282    HA   CYS  39           HA       CYS  39   2.453  -2.419  -0.316
  283    HB2  CYS  39           1HB      CYS  39   1.889  -4.605  -1.137
  284    HB3  CYS  39           2HB      CYS  39   0.865  -3.933  -2.404
  285    H    ASP  40           H        ASP  40   3.423  -0.887  -1.469
  286    HA   ASP  40           HA       ASP  40   1.759   1.284  -2.567
  287    HB2  ASP  40           1HB      ASP  40   3.701   1.646  -0.994
  288    HB3  ASP  40           2HB      ASP  40   4.780   1.119  -2.285
  289    H    TYR  41           H        TYR  41   3.029  -1.556  -3.797
  290    HA   TYR  41           HA       TYR  41   3.568  -0.421  -6.527
  291    HB2  TYR  41           1HB      TYR  41   4.774  -2.837  -5.141
  292    HB3  TYR  41           2HB      TYR  41   5.085  -2.327  -6.785
  293    HD1  TYR  41           2HD      TYR  41   5.526  -1.605  -3.211
  294    HD2  TYR  41           1HD      TYR  41   6.580  -0.404  -7.210
  295    HE1  TYR  41           2HE      TYR  41   7.407  -0.218  -2.301
  296    HE2  TYR  41           1HE      TYR  41   8.475   0.941  -6.320
  297    HH   TYR  41           HH       TYR  41   9.632   1.594  -4.445
  298    H    CYS  42           H        CYS  42   1.817  -2.899  -4.741
  299    HA   CYS  42           HA       CYS  42   0.213  -3.360  -7.178
  300    HB2  CYS  42           1HB      CYS  42   0.163  -5.777  -6.949
  301    HB3  CYS  42           2HB      CYS  42   1.803  -5.196  -7.250
  302    H    SER  43           H        SER  43  -1.649  -5.052  -6.464
  303    HA   SER  43           HA       SER  43  -3.291  -3.634  -4.526
  304    HB2  SER  43           1HB      SER  43  -5.012  -5.291  -5.214
  305    HB3  SER  43           2HB      SER  43  -4.284  -4.419  -6.571
  306    HG   SER  43           HG       SER  43  -4.438  -6.689  -6.960
  307    H    PHE  44           H        PHE  44  -0.852  -5.745  -3.893
  308    HA   PHE  44           HA       PHE  44  -1.943  -7.694  -2.180
  309    HB2  PHE  44           1HB      PHE  44   0.294  -7.760  -2.989
  310    HB3  PHE  44           2HB      PHE  44   0.735  -6.292  -2.147
  311    HD1  PHE  44           2HD      PHE  44   0.010  -9.911  -1.766
  312    HD2  PHE  44           1HD      PHE  44   1.318  -6.311   0.211
  313    HE1  PHE  44           2HE      PHE  44   0.851 -11.259   0.146
  314    HE2  PHE  44           1HE      PHE  44   2.167  -7.662   2.117
  315    HZ   PHE  44           HZ       PHE  44   1.937 -10.135   2.081
  316    H    THR  45           H        THR  45  -2.175  -7.849   0.003
  317    HA   THR  45           HA       THR  45  -1.777  -5.538   1.773
  318    HB   THR  45           HB       THR  45  -3.971  -5.912   2.871
  319    HG1  THR  45           1HG      THR  45  -5.606  -6.899   1.611
  320   HG21  THR  45          3HG2      THR  45  -3.636  -4.030   1.399
  321   HG22  THR  45          1HG2      THR  45  -5.303  -4.614   1.281
  322   HG23  THR  45          2HG2      THR  45  -4.137  -4.988  -0.016
  323    H    CYS  46           H        CYS  46  -1.550  -6.016   3.914
  324    HA   CYS  46           HA       CYS  46  -1.784  -8.803   4.841
  325    HB2  CYS  46           1HB      CYS  46   0.535  -8.521   3.818
  326    HB3  CYS  46           2HB      CYS  46   0.889  -7.355   5.106
  327    HG   CYS  46           HG       CYS  46  -0.149 -10.516   5.376
  328    H    LEU  47           H        LEU  47  -1.882  -9.028   7.087
  329    HA   LEU  47           HA       LEU  47  -2.571  -6.622   8.631
  330    HB2  LEU  47           1HB      LEU  47  -2.734  -9.607   9.092
  331    HB3  LEU  47           2HB      LEU  47  -2.884  -8.496  10.428
  332    HG   LEU  47           HG       LEU  47  -5.060  -9.164   9.728
  333   HD11  LEU  47          1HD1      LEU  47  -6.172  -7.064   9.446
  334   HD12  LEU  47          2HD1      LEU  47  -4.708  -6.300   8.805
  335   HD13  LEU  47          3HD1      LEU  47  -4.773  -6.817  10.503
  336   HD21  LEU  47          3HD2      LEU  47  -4.535  -7.973   6.983
  337   HD22  LEU  47          1HD2      LEU  47  -6.036  -8.718   7.569
  338   HD23  LEU  47          2HD2      LEU  47  -4.583  -9.711   7.362
  339    H    SER  48           H        SER  48   0.305  -8.220   7.953
  340    HA   SER  48           HA       SER  48   1.665  -7.117  10.394
  341    HB2  SER  48           1HB      SER  48   2.400  -9.563   8.738
  342    HB3  SER  48           2HB      SER  48   3.385  -8.860  10.034
  343    HG   SER  48           HG       SER  48   0.739  -9.878  10.307
  344    H    LYS  49           H        LYS  49   2.506  -5.284   9.879
  345    HA   LYS  49           HA       LYS  49   3.386  -4.367   7.362
  346    HB2  LYS  49           1HB      LYS  49   4.843  -2.817   8.851
  347    HB3  LYS  49           2HB      LYS  49   3.086  -2.655   8.824
  348    HG2  LYS  49           1HG      LYS  49   2.945  -3.854  10.989
  349    HG3  LYS  49           2HG      LYS  49   4.712  -4.045  11.001
  350    HD2  LYS  49           1HD      LYS  49   5.009  -1.617  11.095
  351    HD3  LYS  49           2HD      LYS  49   3.261  -1.357  10.888
  352    HE2  LYS  49           1HE      LYS  49   2.808  -2.531  13.005
  353    HE3  LYS  49           2HE      LYS  49   4.537  -2.835  13.230
  354    HZ1  LYS  49           3HZ      LYS  49   3.811  -0.886  14.486
  355    HZ2  LYS  49           1HZ      LYS  49   3.282  -0.140  13.136
  356    HZ3  LYS  49           2HZ      LYS  49   4.878  -0.422  13.344
  357    H    GLY  50           H        GLY  50   5.214  -6.217   9.764
  358    HA2  GLY  50           1HA      GLY  50   7.800  -5.970   8.551
  359    HA3  GLY  50           2HA      GLY  50   7.248  -7.258   9.621
  360    H    HIS  51           H        HIS  51   5.105  -8.291   7.925
  361    HA   HIS  51           HA       HIS  51   6.629  -9.782   5.932
  362    HB2  HIS  51           1HB      HIS  51   4.775 -10.821   7.175
  363    HB3  HIS  51           2HB      HIS  51   3.646  -9.660   6.462
  364    HD1  HIS  51           1HD      HIS  51   2.259 -11.073   4.790
  365    HD2  HIS  51           2HD      HIS  51   6.395 -11.797   4.631
  366    HE1  HIS  51           1HE      HIS  51   2.634 -12.645   2.811
  367    H    LEU  52           H        LEU  52   4.318  -7.027   5.827
  368    HA   LEU  52           HA       LEU  52   4.234  -6.784   2.993
  369    HB2  LEU  52           1HB      LEU  52   2.697  -5.570   4.446
  370    HB3  LEU  52           2HB      LEU  52   4.038  -4.689   5.183
  371    HG   LEU  52           HG       LEU  52   4.540  -3.586   3.008
  372   HD11  LEU  52          1HD1      LEU  52   1.971  -4.946   2.073
  373   HD12  LEU  52          2HD1      LEU  52   3.607  -5.300   1.457
  374   HD13  LEU  52          3HD1      LEU  52   2.905  -3.717   1.199
  375   HD21  LEU  52          3HD2      LEU  52   1.651  -3.278   3.812
  376   HD22  LEU  52          1HD2      LEU  52   2.693  -2.062   3.051
  377   HD23  LEU  52          2HD2      LEU  52   3.018  -2.581   4.716
  378    H    LYS  53           H        LYS  53   6.678  -5.500   5.334
  379    HA   LYS  53           HA       LYS  53   8.298  -4.139   3.406
  380    HB2  LYS  53           1HB      LYS  53   8.655  -3.666   5.680
  381    HB3  LYS  53           2HB      LYS  53   8.714  -5.366   6.143
  382    HG2  LYS  53           1HG      LYS  53  10.862  -5.670   5.048
  383    HG3  LYS  53           2HG      LYS  53  10.845  -3.994   4.459
  384    HD2  LYS  53           1HD      LYS  53  11.024  -3.131   6.711
  385    HD3  LYS  53           2HD      LYS  53  10.681  -4.735   7.419
  386    HE2  LYS  53           1HE      LYS  53  12.677  -5.665   6.411
  387    HE3  LYS  53           2HE      LYS  53  13.053  -4.126   5.624
  388    HZ1  LYS  53           3HZ      LYS  53  14.344  -4.401   7.676
  389    HZ2  LYS  53           1HZ      LYS  53  12.991  -4.560   8.571
  390    HZ3  LYS  53           2HZ      LYS  53  13.330  -3.135   7.845
  391    H    VAL  54           H        VAL  54   8.487  -7.537   4.614
  392    HA   VAL  54           HA       VAL  54  10.586  -8.327   2.870
  393    HB   VAL  54           HB       VAL  54   8.363  -9.989   4.111
  394   HG11  VAL  54          1HG1      VAL  54  10.921 -10.895   2.712
  395   HG12  VAL  54          2HG1      VAL  54   9.891 -11.935   3.726
  396   HG13  VAL  54          3HG1      VAL  54   9.255 -11.259   2.227
  397   HG21  VAL  54          3HG2      VAL  54  10.112 -10.615   5.704
  398   HG22  VAL  54          1HG2      VAL  54  11.301  -9.616   4.830
  399   HG23  VAL  54          2HG2      VAL  54   9.946  -8.854   5.681
  400    H    HIS  55           H        HIS  55   7.049  -8.369   2.273
  401    HA   HIS  55           HA       HIS  55   7.088  -9.539  -0.278
  402    HB2  HIS  55           1HB      HIS  55   4.996  -9.190   0.834
  403    HB3  HIS  55           2HB      HIS  55   5.280  -7.463   0.997
  404    HD1  HIS  55           1HD      HIS  55   4.231  -9.996  -1.685
  405    HD2  HIS  55           2HD      HIS  55   4.554  -5.860  -0.999
  406    HE1  HIS  55           1HE      HIS  55   3.125  -8.873  -3.672
  407    H    ILE  56           H        ILE  56   7.551  -6.050   0.539
  408    HA   ILE  56           HA       ILE  56   7.990  -5.320  -2.257
  409    HB   ILE  56           HB       ILE  56   8.559  -3.857   0.336
  410   HG12  ILE  56          1HG1      ILE  56   6.300  -3.405  -1.666
  411   HG13  ILE  56          2HG1      ILE  56   6.120  -4.402  -0.230
  412   HG21  ILE  56          1HG2      ILE  56   8.532  -2.801  -2.533
  413   HG22  ILE  56          2HG2      ILE  56   8.800  -1.832  -1.068
  414   HG23  ILE  56          3HG2      ILE  56   9.992  -3.035  -1.544
  415   HD11  ILE  56          3HD1      ILE  56   5.207  -2.244   0.230
  416   HD12  ILE  56          1HD1      ILE  56   6.656  -2.489   1.223
  417   HD13  ILE  56          2HD1      ILE  56   6.721  -1.434  -0.212
  418    H    GLU  57           H        GLU  57  10.149  -6.174   0.426
  419    HA   GLU  57           HA       GLU  57  12.619  -5.640  -0.955
  420    HB2  GLU  57           1HB      GLU  57  11.960  -7.519   1.323
  421    HB3  GLU  57           2HB      GLU  57  13.588  -7.099   0.848
  422    HG2  GLU  57           1HG      GLU  57  11.798  -4.782   1.515
  423    HG3  GLU  57           2HG      GLU  57  12.232  -5.873   2.826
  424    H    ARG  58           H        ARG  58  10.385  -8.194  -1.357
  425    HA   ARG  58           HA       ARG  58  12.416  -9.848  -2.834
  426    HB2  ARG  58           1HB      ARG  58  11.316 -11.801  -2.309
  427    HB3  ARG  58           2HB      ARG  58  11.184 -10.837  -0.853
  428    HG2  ARG  58           1HG      ARG  58   8.845 -10.189  -1.624
  429    HG3  ARG  58           2HG      ARG  58   9.018 -11.440  -2.873
  430    HD2  ARG  58           1HD      ARG  58   9.388 -13.122  -1.067
  431    HD3  ARG  58           2HD      ARG  58   9.156 -11.835   0.129
  432    HE   ARG  58           HE       ARG  58   7.021 -12.480  -1.871
  433   HH11  ARG  58          2HH1      ARG  58   7.879 -12.488   1.535
  434   HH12  ARG  58          1HH1      ARG  58   6.200 -12.562   2.029
  435   HH21  ARG  58          2HH2      ARG  58   4.937 -12.760  -1.123
  436   HH22  ARG  58          1HH2      ARG  58   4.641 -12.754   0.593
  437    H    VAL  59           H        VAL  59   9.107  -8.536  -3.198
  438    HA   VAL  59           HA       VAL  59   9.027  -9.608  -5.906
  439    HB   VAL  59           HB       VAL  59   6.913  -7.929  -4.504
  440   HG11  VAL  59          1HG1      VAL  59   6.641  -7.937  -6.961
  441   HG12  VAL  59          2HG1      VAL  59   6.750  -9.709  -6.975
  442   HG13  VAL  59          3HG1      VAL  59   5.382  -8.894  -6.187
  443   HG21  VAL  59          3HG2      VAL  59   5.727 -10.136  -4.241
  444   HG22  VAL  59          1HG2      VAL  59   7.222 -10.954  -4.744
  445   HG23  VAL  59          2HG2      VAL  59   7.167  -9.982  -3.251
  446    H    HIS  60           H        HIS  60   8.976  -6.371  -4.386
  447    HA   HIS  60           HA       HIS  60   9.250  -5.066  -7.034
  448    HB2  HIS  60           1HB      HIS  60   8.378  -3.859  -4.421
  449    HB3  HIS  60           2HB      HIS  60   8.223  -3.154  -6.025
  450    HD1  HIS  60           1HD      HIS  60   6.483  -4.760  -7.716
  451    HD2  HIS  60           2HD      HIS  60   6.307  -5.063  -3.530
  452    HE1  HIS  60           1HE      HIS  60   4.203  -5.758  -7.188
  453    H    LYS  61           H        LYS  61  11.475  -6.188  -5.319
  454    HA   LYS  61           HA       LYS  61  13.096  -4.124  -4.255
  455    HB2  LYS  61           1HB      LYS  61  13.392  -6.390  -3.648
  456    HB3  LYS  61           2HB      LYS  61  13.643  -6.916  -5.302
  457    HG2  LYS  61           1HG      LYS  61  15.720  -6.946  -4.003
  458    HG3  LYS  61           2HG      LYS  61  15.828  -5.918  -5.419
  459    HD2  LYS  61           1HD      LYS  61  16.973  -4.990  -3.434
  460    HD3  LYS  61           2HD      LYS  61  15.731  -3.904  -4.062
  461    HE2  LYS  61           1HE      LYS  61  14.174  -4.557  -2.319
  462    HE3  LYS  61           2HE      LYS  61  15.262  -5.837  -1.756
  463    HZ1  LYS  61           3HZ      LYS  61  16.841  -4.115  -1.087
  464    HZ2  LYS  61           1HZ      LYS  61  15.391  -3.866  -0.367
  465    HZ3  LYS  61           2HZ      LYS  61  15.850  -2.922  -1.623
  466    H    LYS  62           H        LYS  62  13.819  -2.453  -5.222
  467    HA   LYS  62           HA       LYS  62  14.309  -0.921  -6.786
  468    HB2  LYS  62           1HB      LYS  62  16.442  -3.003  -7.358
  469    HB3  LYS  62           2HB      LYS  62  16.430  -1.408  -8.126
  470    HG2  LYS  62           1HG      LYS  62  16.405  -0.309  -5.919
  471    HG3  LYS  62           2HG      LYS  62  16.513  -1.887  -5.122
  472    HD2  LYS  62           1HD      LYS  62  18.669  -2.328  -6.199
  473    HD3  LYS  62           2HD      LYS  62  18.581  -0.809  -7.101
  474    HE2  LYS  62           1HE      LYS  62  18.588  -0.984  -4.053
  475    HE3  LYS  62           2HE      LYS  62  20.051  -0.796  -5.025
  476    HZ1  LYS  62           3HZ      LYS  62  17.791   1.156  -5.004
  477    HZ2  LYS  62           1HZ      LYS  62  19.133   1.293  -5.897
  478    HZ3  LYS  62           2HZ      LYS  62  19.238   1.354  -4.268
  479    H    ILE  63           H        ILE  63  12.096  -1.958  -7.485
  480    HA   ILE  63           HA       ILE  63  11.936  -2.859 -10.213
  481    HB   ILE  63           HB       ILE  63  10.204  -3.297  -8.551
  482   HG12  ILE  63          1HG1      ILE  63   9.115  -1.744 -10.934
  483   HG13  ILE  63          2HG1      ILE  63   9.785  -3.376 -11.016
  484   HG21  ILE  63          1HG2      ILE  63   8.615  -1.622  -7.828
  485   HG22  ILE  63          2HG2      ILE  63  10.225  -1.040  -7.424
  486   HG23  ILE  63          3HG2      ILE  63   9.376  -0.376  -8.834
  487   HD11  ILE  63          3HD1      ILE  63   7.366  -3.510 -10.920
  488   HD12  ILE  63          1HD1      ILE  63   8.029  -4.149  -9.402
  489   HD13  ILE  63          2HD1      ILE  63   7.307  -2.519  -9.453
  490    H    LYS  64           H        LYS  64  11.460  -1.787 -12.105
  491    HA   LYS  64           HA       LYS  64  12.466   0.972 -12.229
  492    HB2  LYS  64           1HB      LYS  64  11.783  -0.991 -14.443
  493    HB3  LYS  64           2HB      LYS  64  12.523   0.609 -14.648
  494    HG2  LYS  64           1HG      LYS  64  14.390  -0.123 -13.118
  495    HG3  LYS  64           2HG      LYS  64  13.691  -1.752 -13.106
  496    HD2  LYS  64           1HD      LYS  64  13.999  -1.915 -15.555
  497    HD3  LYS  64           2HD      LYS  64  14.666  -0.264 -15.588
  498    HE2  LYS  64           1HE      LYS  64  16.481  -0.968 -14.046
  499    HE3  LYS  64           2HE      LYS  64  15.825  -2.609 -14.010
  500    HZ1  LYS  64           3HZ      LYS  64  16.263  -2.764 -16.407
  501    HZ2  LYS  64           1HZ      LYS  64  17.642  -2.424 -15.606
  502    HZ3  LYS  64           2HZ      LYS  64  16.879  -1.248 -16.436
  503    H    GLN  65           H        GLN  65  11.038   2.330 -11.499
  504    HA   GLN  65           HA       GLN  65   8.272   2.553 -12.515
  505    HB2  GLN  65           1HB      GLN  65   9.975   4.456 -10.835
  506    HB3  GLN  65           2HB      GLN  65   8.252   4.617 -11.166
  507    HG2  GLN  65           1HG      GLN  65   9.554   2.371  -9.559
  508    HG3  GLN  65           2HG      GLN  65   8.631   3.723  -8.922
  509   HE21  GLN  65          1HE2      GLN  65   6.259   3.845  -9.485
  510   HE22  GLN  65          2HE2      GLN  65   5.439   2.330  -9.828
  511    H    HIS  66           H        HIS  66   7.630   4.693 -13.628
  512    HA   HIS  66           HA       HIS  66   9.855   5.819 -15.232
  513    HB2  HIS  66           1HB      HIS  66   8.711   5.650 -17.300
  514    HB3  HIS  66           2HB      HIS  66   8.821   4.048 -16.590
  515    HD1  HIS  66           1HD      HIS  66   6.464   2.885 -15.918
  516    HD2  HIS  66           2HD      HIS  66   6.254   6.756 -17.553
  517    HE1  HIS  66           1HE      HIS  66   4.011   3.288 -16.488
  518    H    CYS  67           H        CYS  67   9.737   7.826 -15.944
  519    HA   CYS  67           HA       CYS  67   7.931   9.751 -14.695
  520    HB2  CYS  67           1HB      CYS  67  10.309  10.201 -15.066
  521    HB3  CYS  67           2HB      CYS  67  10.113   9.919 -16.807
  522    H    ARG  68           H        ARG  68   6.030  10.364 -15.503
  523    HA   ARG  68           HA       ARG  68   5.151   9.461 -18.181
  524    HB2  ARG  68           1HB      ARG  68   2.970  10.036 -17.627
  525    HB3  ARG  68           2HB      ARG  68   3.639   9.234 -16.225
  526    HG2  ARG  68           1HG      ARG  68   3.174  12.237 -16.579
  527    HG3  ARG  68           2HG      ARG  68   2.195  11.133 -15.632
  528    HD2  ARG  68           1HD      ARG  68   5.034  12.012 -15.029
  529    HD3  ARG  68           2HD      ARG  68   3.558  12.462 -14.183
  530    HE   ARG  68           HE       ARG  68   4.270   9.569 -14.273
  531   HH11  ARG  68          2HH1      ARG  68   3.884  12.408 -12.264
  532   HH12  ARG  68          1HH1      ARG  68   4.035  11.488 -10.791
  533   HH21  ARG  68          2HH2      ARG  68   4.557   8.482 -12.377
  534   HH22  ARG  68          1HH2      ARG  68   4.403   9.322 -10.864
  535    H    PHE  69           H        PHE  69   6.838  12.116 -17.106
  536    HA   PHE  69           HA       PHE  69   5.647  14.004 -19.060
  537    HB2  PHE  69           1HB      PHE  69   7.829  14.434 -17.019
  538    HB3  PHE  69           2HB      PHE  69   7.027  15.667 -17.964
  539    HD1  PHE  69           2HD      PHE  69   4.306  15.629 -17.693
  540    HD2  PHE  69           1HD      PHE  69   7.147  14.153 -14.804
  541    HE1  PHE  69           2HE      PHE  69   2.647  15.973 -15.877
  542    HE2  PHE  69           1HE      PHE  69   5.498  14.532 -12.987
  543    HZ   PHE  69           HZ       PHE  69   3.244  15.444 -13.521
  544    H    CYS  70           H        CYS  70   8.693  12.243 -18.466
  545    HA   CYS  70           HA       CYS  70   9.534  12.881 -21.235
  546    HB2  CYS  70           1HB      CYS  70  11.723  13.420 -20.684
  547    HB3  CYS  70           2HB      CYS  70  10.627  14.437 -19.761
  548    H    LYS  71           H        LYS  71   8.520  10.408 -19.666
  549    HA   LYS  71           HA       LYS  71   8.631   8.150 -19.883
  550    HB2  LYS  71           1HB      LYS  71   9.799   8.765 -22.610
  551    HB3  LYS  71           2HB      LYS  71   8.984   7.286 -22.131
  552    HG2  LYS  71           1HG      LYS  71   7.745  10.052 -22.400
  553    HG3  LYS  71           2HG      LYS  71   7.489   8.672 -23.448
  554    HD2  LYS  71           1HD      LYS  71   6.566   8.960 -20.557
  555    HD3  LYS  71           2HD      LYS  71   5.555   9.033 -21.986
  556    HE2  LYS  71           1HE      LYS  71   7.112   6.565 -21.079
  557    HE3  LYS  71           2HE      LYS  71   5.413   6.874 -20.729
  558    HZ1  LYS  71           3HZ      LYS  71   6.540   6.551 -23.460
  559    HZ2  LYS  71           1HZ      LYS  71   4.971   6.864 -23.124
  560    HZ3  LYS  71           2HZ      LYS  71   5.638   5.451 -22.666
  561    H    LYS  72           H        LYS  72  11.036   9.438 -18.782
  562    HA   LYS  72           HA       LYS  72  13.283   7.612 -19.188
  563    HB2  LYS  72           1HB      LYS  72  12.585   9.997 -17.485
  564    HB3  LYS  72           2HB      LYS  72  13.967   8.953 -17.004
  565    HG2  LYS  72           1HG      LYS  72  14.934   9.252 -19.280
  566    HG3  LYS  72           2HG      LYS  72  13.560  10.292 -19.693
  567    HD2  LYS  72           1HD      LYS  72  14.292  11.698 -17.586
  568    HD3  LYS  72           2HD      LYS  72  15.789  10.767 -17.672
  569    HE2  LYS  72           1HE      LYS  72  16.104  12.831 -18.857
  570    HE3  LYS  72           2HE      LYS  72  16.083  11.499 -20.033
  571    HZ1  LYS  72           3HZ      LYS  72  14.691  13.533 -20.623
  572    HZ2  LYS  72           1HZ      LYS  72  13.643  13.084 -19.423
  573    HZ3  LYS  72           2HZ      LYS  72  13.891  12.105 -20.688
  574    H    LYS  73           H        LYS  73  13.921   5.926 -17.885
  575    HA   LYS  73           HA       LYS  73  11.970   4.930 -15.862
  576    HB2  LYS  73           1HB      LYS  73  14.111   3.524 -17.468
  577    HB3  LYS  73           2HB      LYS  73  13.304   2.774 -16.082
  578    HG2  LYS  73           1HG      LYS  73  11.104   3.085 -17.097
  579    HG3  LYS  73           2HG      LYS  73  11.814   3.902 -18.489
  580    HD2  LYS  73           1HD      LYS  73  12.346   1.005 -17.688
  581    HD3  LYS  73           2HD      LYS  73  11.198   1.536 -18.928
  582    HE2  LYS  73           1HE      LYS  73  13.084   2.624 -20.173
  583    HE3  LYS  73           2HE      LYS  73  14.217   1.976 -18.979
  584    HZ1  LYS  73           3HZ      LYS  73  14.072   0.537 -20.928
  585    HZ2  LYS  73           1HZ      LYS  73  12.466   0.338 -20.738
  586    HZ3  LYS  73           2HZ      LYS  73  13.502  -0.270 -19.630
  587    H    TYR  74           H        TYR  74  12.440   4.392 -13.884
  588    HA   TYR  74           HA       TYR  74  15.035   5.231 -12.645
  589    HB2  TYR  74           1HB      TYR  74  12.220   6.210 -12.131
  590    HB3  TYR  74           2HB      TYR  74  13.363   6.120 -10.803
  591    HD1  TYR  74           1HD      TYR  74  12.786   7.751 -14.141
  592    HD2  TYR  74           2HD      TYR  74  15.115   7.655 -10.508
  593    HE1  TYR  74           1HE      TYR  74  13.995   9.816 -14.856
  594    HE2  TYR  74           2HE      TYR  74  16.317   9.720 -11.229
  595    HH   TYR  74           HH       TYR  74  15.680  11.282 -14.381
  596    H    SER  75           H        SER  75  15.853   3.471 -11.714
  597    HA   SER  75           HA       SER  75  14.321   1.182 -10.894
  598    HB2  SER  75           1HB      SER  75  17.204   1.873 -10.251
  599    HB3  SER  75           2HB      SER  75  16.455   0.267 -10.195
  600    HG   SER  75           HG       SER  75  17.656   0.701 -12.148
  601    H    ASP  76           H        ASP  76  14.778   4.081  -9.234
  602    HA   ASP  76           HA       ASP  76  13.890   2.854  -6.671
  603    HB2  ASP  76           1HB      ASP  76  16.035   4.994  -6.993
  604    HB3  ASP  76           2HB      ASP  76  15.222   4.618  -5.477
  605    H    VAL  77           H        VAL  77  11.909   3.658  -6.252
  606    HA   VAL  77           HA       VAL  77  10.746   5.688  -7.845
  607    HB   VAL  77           HB       VAL  77   9.528   3.858  -6.690
  608   HG11  VAL  77          1HG1      VAL  77   8.729   4.082  -4.421
  609   HG12  VAL  77          2HG1      VAL  77  10.498   4.079  -4.399
  610   HG13  VAL  77          3HG1      VAL  77   9.601   5.603  -4.194
  611   HG21  VAL  77          3HG2      VAL  77   8.362   5.815  -7.700
  612   HG22  VAL  77          1HG2      VAL  77   7.480   5.107  -6.334
  613   HG23  VAL  77          2HG2      VAL  77   8.380   6.621  -6.119
  614    H    LYS  78           H        LYS  78  12.233   6.004  -4.619
  615    HA   LYS  78           HA       LYS  78  11.419   8.679  -4.050
  616    HB2  LYS  78           1HB      LYS  78  14.002   7.223  -3.331
  617    HB3  LYS  78           2HB      LYS  78  13.497   8.777  -2.655
  618    HG2  LYS  78           1HG      LYS  78  11.421   7.727  -1.771
  619    HG3  LYS  78           2HG      LYS  78  11.964   6.153  -2.381
  620    HD2  LYS  78           1HD      LYS  78  13.985   6.287  -0.948
  621    HD3  LYS  78           2HD      LYS  78  13.444   7.867  -0.336
  622    HE2  LYS  78           1HE      LYS  78  11.366   6.809   0.533
  623    HE3  LYS  78           2HE      LYS  78  11.915   5.236  -0.063
  624    HZ1  LYS  78           3HZ      LYS  78  13.824   5.408   1.449
  625    HZ2  LYS  78           1HZ      LYS  78  12.432   5.520   2.292
  626    HZ3  LYS  78           2HZ      LYS  78  13.313   6.860   1.999
  627    H    ASN  79           H        ASN  79  13.991   7.528  -6.187
  628    HA   ASN  79           HA       ASN  79  15.009  10.228  -6.673
  629    HB2  ASN  79           1HB      ASN  79  15.571   7.538  -8.004
  630    HB3  ASN  79           2HB      ASN  79  16.365   9.044  -8.455
  631   HD21  ASN  79          1HD2      ASN  79  17.976   6.999  -7.724
  632   HD22  ASN  79          2HD2      ASN  79  18.654   7.332  -6.138
  633    H    LEU  80           H        LEU  80  12.585   8.132  -8.196
  634    HA   LEU  80           HA       LEU  80  12.194   9.733 -10.547
  635    HB2  LEU  80           1HB      LEU  80  11.251   7.461 -10.270
  636    HB3  LEU  80           2HB      LEU  80  10.202   8.062  -8.987
  637    HG   LEU  80           HG       LEU  80   9.037   9.551 -10.550
  638   HD11  LEU  80          1HD1      LEU  80   9.366   9.282 -12.972
  639   HD12  LEU  80          2HD1      LEU  80  10.758   8.212 -12.678
  640   HD13  LEU  80          3HD1      LEU  80  10.823   9.932 -12.226
  641   HD21  LEU  80          3HD2      LEU  80   9.180   6.703 -11.576
  642   HD22  LEU  80          1HD2      LEU  80   7.825   7.838 -11.756
  643   HD23  LEU  80          2HD2      LEU  80   8.249   7.228 -10.148
  644    H    ILE  81           H        ILE  81  10.743   9.891  -7.237
  645    HA   ILE  81           HA       ILE  81   9.066  12.139  -7.710
  646    HB   ILE  81           HB       ILE  81  10.477  11.611  -5.081
  647   HG12  ILE  81          1HG1      ILE  81   9.609   9.516  -5.563
  648   HG13  ILE  81          2HG1      ILE  81   8.543  10.253  -4.420
  649   HG21  ILE  81          1HG2      ILE  81   9.278  13.724  -5.160
  650   HG22  ILE  81          2HG2      ILE  81   7.825  12.920  -5.793
  651   HG23  ILE  81          3HG2      ILE  81   8.390  12.590  -4.141
  652   HD11  ILE  81          3HD1      ILE  81   7.237   9.042  -6.082
  653   HD12  ILE  81          1HD1      ILE  81   6.916  10.778  -6.247
  654   HD13  ILE  81          2HD1      ILE  81   7.989   9.952  -7.403
  655    H    LYS  82           H        LYS  82  12.438  12.022  -6.491
  656    HA   LYS  82           HA       LYS  82  12.831  14.820  -6.295
  657    HB2  LYS  82           1HB      LYS  82  14.325  12.861  -5.463
  658    HB3  LYS  82           2HB      LYS  82  15.038  12.884  -7.082
  659    HG2  LYS  82           1HG      LYS  82  15.470  15.408  -6.676
  660    HG3  LYS  82           2HG      LYS  82  14.936  15.133  -5.022
  661    HD2  LYS  82           1HD      LYS  82  17.304  15.034  -4.932
  662    HD3  LYS  82           2HD      LYS  82  16.752  13.366  -4.816
  663    HE2  LYS  82           1HE      LYS  82  18.601  13.339  -6.305
  664    HE3  LYS  82           2HE      LYS  82  17.173  13.139  -7.323
  665    HZ1  LYS  82           3HZ      LYS  82  17.333  15.537  -7.880
  666    HZ2  LYS  82           1HZ      LYS  82  18.725  14.773  -8.246
  667    HZ3  LYS  82           2HZ      LYS  82  18.637  15.697  -6.907
  668    H    HIS  83           H        HIS  83  13.466  12.686  -9.113
  669    HA   HIS  83           HA       HIS  83  14.307  14.678 -10.967
  670    HB2  HIS  83           1HB      HIS  83  14.599  12.368 -11.478
  671    HB3  HIS  83           2HB      HIS  83  12.902  11.996 -11.218
  672    HD1  HIS  83           1HD      HIS  83  15.086  13.824 -13.818
  673    HD2  HIS  83           2HD      HIS  83  11.239  12.234 -13.222
  674    HE1  HIS  83           1HE      HIS  83  13.941  13.932 -16.080
  675    H    ILE  84           H        ILE  84  10.944  13.625 -10.199
  676    HA   ILE  84           HA       ILE  84   9.725  15.424 -12.087
  677    HB   ILE  84           HB       ILE  84   8.743  14.017  -9.608
  678   HG12  ILE  84          1HG1      ILE  84   7.911  13.581 -12.502
  679   HG13  ILE  84          2HG1      ILE  84   9.343  12.806 -11.835
  680   HG21  ILE  84          1HG2      ILE  84   6.414  14.648 -10.301
  681   HG22  ILE  84          2HG2      ILE  84   7.354  16.034  -9.776
  682   HG23  ILE  84          3HG2      ILE  84   7.100  15.752 -11.511
  683   HD11  ILE  84          3HD1      ILE  84   6.520  12.458 -10.783
  684   HD12  ILE  84          1HD1      ILE  84   7.500  11.273 -11.672
  685   HD13  ILE  84          2HD1      ILE  84   7.985  11.788 -10.036
  686    H    ARG  85           H        ARG  85  10.492  15.863  -8.608
  687    HA   ARG  85           HA       ARG  85   9.650  18.646  -8.531
  688    HB2  ARG  85           1HB      ARG  85  11.645  17.110  -6.814
  689    HB3  ARG  85           2HB      ARG  85  11.074  18.736  -6.480
  690    HG2  ARG  85           1HG      ARG  85   8.694  17.196  -6.862
  691    HG3  ARG  85           2HG      ARG  85   9.781  16.172  -5.919
  692    HD2  ARG  85           1HD      ARG  85   8.468  17.466  -4.387
  693    HD3  ARG  85           2HD      ARG  85  10.138  18.075  -4.343
  694    HE   ARG  85           HE       ARG  85   8.613  19.579  -6.272
  695   HH11  ARG  85          2HH1      ARG  85   8.887  19.375  -2.772
  696   HH12  ARG  85          1HH1      ARG  85   8.380  21.034  -2.580
  697   HH21  ARG  85          2HH2      ARG  85   8.025  21.536  -5.991
  698   HH22  ARG  85          1HH2      ARG  85   7.881  22.270  -4.394
  699    H    ASP  86           H        ASP  86  12.624  17.244  -9.642
  700    HA   ASP  86           HA       ASP  86  14.062  19.804  -9.703
  701    HB2  ASP  86           1HB      ASP  86  14.713  17.034 -10.767
  702    HB3  ASP  86           2HB      ASP  86  15.753  18.434 -10.982
  703    H    ALA  87           H        ALA  87  12.613  17.673 -12.201
  704    HA   ALA  87           HA       ALA  87  13.246  19.686 -14.294
  705    HB1  ALA  87           1HB      ALA  87  13.036  17.782 -15.815
  706    HB2  ALA  87           2HB      ALA  87  14.151  17.399 -14.488
  707    HB3  ALA  87           3HB      ALA  87  12.498  16.742 -14.481
  708    H    HIS  88           H        HIS  88  10.413  18.211 -12.771
  709    HA   HIS  88           HA       HIS  88   8.629  19.482 -14.797
  710    HB2  HIS  88           1HB      HIS  88   8.197  16.831 -13.395
  711    HB3  HIS  88           2HB      HIS  88   7.280  17.500 -14.732
  712    HD1  HIS  88           1HD      HIS  88   9.215  17.932 -17.014
  713    HD2  HIS  88           2HD      HIS  88   9.629  14.880 -14.161
  714    HE1  HIS  88           1HE      HIS  88  10.623  16.130 -18.129
  715    H    ASP  89           H        ASP  89   9.420  20.366 -11.999
  716    HA   ASP  89           HA       ASP  89   7.515  19.844 -10.114
  717    HB2  ASP  89           1HB      ASP  89   9.707  21.052  -9.886
  718    HB3  ASP  89           2HB      ASP  89   8.899  22.529 -10.376
  719    HA   PRO  90           HA       PRO  90   3.894  21.621 -11.864
  720    HB2  PRO  90           1HB      PRO  90   2.078  21.399  -9.805
  721    HB3  PRO  90           2HB      PRO  90   2.697  20.022 -10.769
  722    HG2  PRO  90           1HG      PRO  90   3.683  21.000  -8.070
  723    HG3  PRO  90           2HG      PRO  90   3.301  19.320  -8.571
  724    HD2  PRO  90           1HD      PRO  90   5.850  20.250  -8.574
  725    HD3  PRO  90           2HD      PRO  90   5.284  19.170  -9.880
  726    H    GLN  91           H        GLN  91   2.786  23.475 -12.153
  727    HA   GLN  91           HA       GLN  91   2.736  25.624 -10.124
  728    HB2  GLN  91           1HB      GLN  91   4.692  26.085 -11.493
  729    HB3  GLN  91           2HB      GLN  91   3.801  25.748 -12.975
  730    HG2  GLN  91           1HG      GLN  91   4.096  28.130 -12.724
  731    HG3  GLN  91           2HG      GLN  91   2.393  27.707 -12.639
  732   HE21  GLN  91          1HE2      GLN  91   1.280  28.799 -11.007
  733   HE22  GLN  91          2HE2      GLN  91   2.034  29.343  -9.506
  734    H    ASP  92           H        ASP  92   0.742  26.455  -9.984
  735    HA   ASP  92           HA       ASP  92  -1.410  25.700 -11.825
  736    HB2  ASP  92           1HB      ASP  92  -2.887  26.699 -10.277
  737    HB3  ASP  92           2HB      ASP  92  -1.722  25.756  -9.368
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -32.692  -5.359   4.281
    2    H2   GLY   1           2H       GLY   1 -31.992  -3.877   4.240
    3    H3   GLY   1           3H       GLY   1 -33.065  -4.308   3.082
    4    HA2  GLY   1           1HA      GLY   1 -34.861  -4.398   4.675
    5    HA3  GLY   1           2HA      GLY   1 -33.701  -3.952   5.939
    6    H    SER   2           H        SER   2 -36.115  -2.529   5.203
    7    HA   SER   2           HA       SER   2 -35.568  -0.220   3.602
    8    HB2  SER   2           1HB      SER   2 -37.633  -0.572   5.806
    9    HB3  SER   2           2HB      SER   2 -37.659   0.653   4.527
   10    HG   SER   2           HG       SER   2 -37.894  -1.004   2.991
   11    H    SER   3           H        SER   3 -35.262   1.951   4.170
   12    HA   SER   3           HA       SER   3 -33.539   2.451   6.473
   13    HB2  SER   3           1HB      SER   3 -33.231   3.452   4.189
   14    HB3  SER   3           2HB      SER   3 -34.664   4.455   4.492
   15    HG   SER   3           HG       SER   3 -32.668   5.499   5.049
   16    H    GLY   4           H        GLY   4 -33.884   4.208   7.997
   17    HA2  GLY   4           1HA      GLY   4 -36.405   5.426   8.533
   18    HA3  GLY   4           2HA      GLY   4 -36.234   4.002   9.564
   19    H    SER   5           H        SER   5 -36.475   6.527  10.662
   20    HA   SER   5           HA       SER   5 -33.905   7.735  11.262
   21    HB2  SER   5           1HB      SER   5 -35.265   9.153  12.819
   22    HB3  SER   5           2HB      SER   5 -35.765   9.178  11.124
   23    HG   SER   5           HG       SER   5 -36.996   7.693  13.233
   24    H    SER   6           H        SER   6 -32.687   7.684  13.078
   25    HA   SER   6           HA       SER   6 -33.525   6.363  15.541
   26    HB2  SER   6           1HB      SER   6 -32.665   4.492  14.006
   27    HB3  SER   6           2HB      SER   6 -31.077   5.269  14.103
   28    HG   SER   6           HG       SER   6 -32.645   4.096  16.172
   29    H    GLY   7           H        GLY   7 -32.006   6.754  17.292
   30    HA2  GLY   7           1HA      GLY   7 -30.750   9.382  17.158
   31    HA3  GLY   7           2HA      GLY   7 -30.824   8.309  18.557
   32    H    LYS   8           H        LYS   8 -29.379   6.368  18.442
   33    HA   LYS   8           HA       LYS   8 -27.258   5.503  18.549
   34    HB2  LYS   8           1HB      LYS   8 -27.386   6.173  15.603
   35    HB3  LYS   8           2HB      LYS   8 -26.204   5.089  16.353
   36    HG2  LYS   8           1HG      LYS   8 -28.016   3.617  17.155
   37    HG3  LYS   8           2HG      LYS   8 -29.220   4.686  16.415
   38    HD2  LYS   8           1HD      LYS   8 -28.240   4.260  14.177
   39    HD3  LYS   8           2HD      LYS   8 -27.042   3.170  14.915
   40    HE2  LYS   8           1HE      LYS   8 -28.892   1.746  15.784
   41    HE3  LYS   8           2HE      LYS   8 -30.075   2.828  15.041
   42    HZ1  LYS   8           3HZ      LYS   8 -29.626   0.900  13.631
   43    HZ2  LYS   8           1HZ      LYS   8 -28.035   1.252  13.555
   44    HZ3  LYS   8           2HZ      LYS   8 -29.128   2.252  12.864
   45    HA   PRO   9           HA       PRO   9 -25.348   9.772  18.965
   46    HB2  PRO   9           1HB      PRO   9 -24.559   9.486  21.609
   47    HB3  PRO   9           2HB      PRO   9 -26.169  10.037  21.087
   48    HG2  PRO   9           1HG      PRO   9 -25.361   7.228  21.850
   49    HG3  PRO   9           2HG      PRO   9 -26.760   8.178  22.455
   50    HD2  PRO   9           1HD      PRO   9 -27.067   6.411  20.452
   51    HD3  PRO   9           2HD      PRO   9 -27.877   8.003  20.354
   52    H    TYR  10           H        TYR  10 -24.102   6.579  19.900
   53    HA   TYR  10           HA       TYR  10 -21.359   7.545  19.949
   54    HB2  TYR  10           1HB      TYR  10 -22.405   4.736  20.252
   55    HB3  TYR  10           2HB      TYR  10 -20.885   5.404  20.856
   56    HD1  TYR  10           2HD      TYR  10 -21.640   7.881  22.241
   57    HD2  TYR  10           1HD      TYR  10 -23.830   4.184  21.955
   58    HE1  TYR  10           2HE      TYR  10 -22.824   8.418  24.350
   59    HE2  TYR  10           1HE      TYR  10 -25.020   4.724  24.059
   60    HH   TYR  10           HH       TYR  10 -25.273   6.226  25.786
   61    H    LYS  11           H        LYS  11 -20.487   7.980  18.036
   62    HA   LYS  11           HA       LYS  11 -20.858   6.209  15.653
   63    HB2  LYS  11           1HB      LYS  11 -19.805   9.054  15.934
   64    HB3  LYS  11           2HB      LYS  11 -19.675   8.110  14.464
   65    HG2  LYS  11           1HG      LYS  11 -21.488   9.541  14.152
   66    HG3  LYS  11           2HG      LYS  11 -22.156   7.922  14.346
   67    HD2  LYS  11           1HD      LYS  11 -22.913   8.451  16.604
   68    HD3  LYS  11           2HD      LYS  11 -21.990   9.964  16.598
   69    HE2  LYS  11           1HE      LYS  11 -24.235  10.593  16.271
   70    HE3  LYS  11           2HE      LYS  11 -23.444  10.779  14.704
   71    HZ1  LYS  11           3HZ      LYS  11 -24.437   8.640  14.046
   72    HZ2  LYS  11           1HZ      LYS  11 -25.612   9.668  14.530
   73    HZ3  LYS  11           2HZ      LYS  11 -25.126   8.471  15.534
   74    H    CYS  12           H        CYS  12 -19.138   5.423  14.442
   75    HA   CYS  12           HA       CYS  12 -16.631   4.898  15.820
   76    HB2  CYS  12           1HB      CYS  12 -17.708   3.218  14.497
   77    HB3  CYS  12           2HB      CYS  12 -17.691   4.254  13.066
   78    HA   PRO  13           HA       PRO  13 -14.662   8.542  13.978
   79    HB2  PRO  13           1HB      PRO  13 -12.113   8.167  14.850
   80    HB3  PRO  13           2HB      PRO  13 -13.451   8.584  15.962
   81    HG2  PRO  13           1HG      PRO  13 -12.262   5.857  15.403
   82    HG3  PRO  13           2HG      PRO  13 -12.659   6.592  16.986
   83    HD2  PRO  13           1HD      PRO  13 -14.336   4.849  15.623
   84    HD3  PRO  13           2HD      PRO  13 -14.936   6.106  16.737
   85    H    GLN  14           H        GLN  14 -14.172   5.257  13.047
   86    HA   GLN  14           HA       GLN  14 -12.274   6.014  10.858
   87    HB2  GLN  14           1HB      GLN  14 -12.717   3.266  12.065
   88    HB3  GLN  14           2HB      GLN  14 -11.513   3.757  10.880
   89    HG2  GLN  14           1HG      GLN  14 -10.904   5.537  12.823
   90    HG3  GLN  14           2HG      GLN  14 -11.667   4.309  13.830
   91   HE21  GLN  14          1HE2      GLN  14  -9.639   3.883  14.936
   92   HE22  GLN  14          2HE2      GLN  14  -8.334   3.049  14.105
   93    H    CYS  15           H        CYS  15 -15.464   4.577  11.436
   94    HA   CYS  15           HA       CYS  15 -15.876   4.655   8.499
   95    HB2  CYS  15           1HB      CYS  15 -16.706   2.434   8.317
   96    HB3  CYS  15           2HB      CYS  15 -15.101   2.363   9.028
   97    H    SER  16           H        SER  16 -18.288   3.871   8.080
   98    HA   SER  16           HA       SER  16 -19.922   5.991   9.097
   99    HB2  SER  16           1HB      SER  16 -20.740   3.578   7.442
  100    HB3  SER  16           2HB      SER  16 -21.637   5.099   7.614
  101    HG   SER  16           HG       SER  16 -20.389   5.047   5.686
  102    H    TYR  17           H        TYR  17 -19.219   3.199  10.723
  103    HA   TYR  17           HA       TYR  17 -21.711   2.214  11.659
  104    HB2  TYR  17           1HB      TYR  17 -19.655   0.991  11.880
  105    HB3  TYR  17           2HB      TYR  17 -18.930   2.263  12.847
  106    HD1  TYR  17           1HD      TYR  17 -21.317  -0.563  12.813
  107    HD2  TYR  17           2HD      TYR  17 -19.535   2.514  15.264
  108    HE1  TYR  17           1HE      TYR  17 -22.070  -1.749  14.876
  109    HE2  TYR  17           2HE      TYR  17 -20.266   1.291  17.317
  110    HH   TYR  17           HH       TYR  17 -22.072  -1.767  17.141
  111    H    ALA  18           H        ALA  18 -22.947   2.580  13.394
  112    HA   ALA  18           HA       ALA  18 -22.178   4.365  15.525
  113    HB1  ALA  18           1HB      ALA  18 -24.723   5.007  13.965
  114    HB2  ALA  18           2HB      ALA  18 -24.103   5.855  15.403
  115    HB3  ALA  18           3HB      ALA  18 -23.219   5.947  13.865
  116    H    SER  19           H        SER  19 -23.454   4.062  17.433
  117    HA   SER  19           HA       SER  19 -25.683   2.118  17.344
  118    HB2  SER  19           1HB      SER  19 -23.545   0.820  17.688
  119    HB3  SER  19           2HB      SER  19 -23.335   1.678  19.224
  120    HG   SER  19           HG       SER  19 -25.552   0.039  18.436
  121    H    ALA  20           H        ALA  20 -26.851   1.946  19.344
  122    HA   ALA  20           HA       ALA  20 -26.972   4.448  20.921
  123    HB1  ALA  20           1HB      ALA  20 -28.865   2.074  20.780
  124    HB2  ALA  20           2HB      ALA  20 -29.155   3.609  21.631
  125    HB3  ALA  20           3HB      ALA  20 -29.032   3.590  19.860
  126    H    ILE  21           H        ILE  21 -25.231   1.661  21.149
  127    HA   ILE  21           HA       ILE  21 -25.118   1.796  24.141
  128    HB   ILE  21           HB       ILE  21 -24.743  -0.657  22.390
  129   HG12  ILE  21          1HG1      ILE  21 -27.055   0.054  24.257
  130   HG13  ILE  21          2HG1      ILE  21 -27.132  -0.003  22.496
  131   HG21  ILE  21          1HG2      ILE  21 -23.342  -0.633  24.463
  132   HG22  ILE  21          2HG2      ILE  21 -24.806  -0.383  25.437
  133   HG23  ILE  21          3HG2      ILE  21 -24.558  -1.886  24.520
  134   HD11  ILE  21          3HD1      ILE  21 -26.580  -2.446  22.569
  135   HD12  ILE  21          1HD1      ILE  21 -26.759  -2.377  24.342
  136   HD13  ILE  21          2HD1      ILE  21 -28.133  -1.996  23.299
  137    H    LYS  22           H        LYS  22 -23.221   2.688  24.741
  138    HA   LYS  22           HA       LYS  22 -21.039   3.059  22.930
  139    HB2  LYS  22           1HB      LYS  22 -19.805   3.996  24.783
  140    HB3  LYS  22           2HB      LYS  22 -21.321   4.722  24.284
  141    HG2  LYS  22           1HG      LYS  22 -22.452   3.578  26.267
  142    HG3  LYS  22           2HG      LYS  22 -20.820   3.093  26.813
  143    HD2  LYS  22           1HD      LYS  22 -20.106   5.440  26.749
  144    HD3  LYS  22           2HD      LYS  22 -21.667   5.917  26.062
  145    HE2  LYS  22           1HE      LYS  22 -22.830   5.145  28.116
  146    HE3  LYS  22           2HE      LYS  22 -21.276   4.688  28.832
  147    HZ1  LYS  22           3HZ      LYS  22 -21.987   6.883  29.589
  148    HZ2  LYS  22           1HZ      LYS  22 -22.063   7.451  28.063
  149    HZ3  LYS  22           2HZ      LYS  22 -20.620   7.040  28.715
  150    H    ALA  23           H        ALA  23 -21.622   0.487  25.253
  151    HA   ALA  23           HA       ALA  23 -19.016  -0.712  25.136
  152    HB1  ALA  23           1HB      ALA  23 -20.734  -1.290  26.818
  153    HB2  ALA  23           2HB      ALA  23 -21.738  -2.023  25.543
  154    HB3  ALA  23           3HB      ALA  23 -20.158  -2.719  25.942
  155    H    ASN  24           H        ASN  24 -21.736  -0.756  22.842
  156    HA   ASN  24           HA       ASN  24 -20.645  -2.846  21.158
  157    HB2  ASN  24           1HB      ASN  24 -23.104  -1.841  21.404
  158    HB3  ASN  24           2HB      ASN  24 -22.550  -0.702  20.194
  159   HD21  ASN  24          1HD2      ASN  24 -24.408  -1.703  19.088
  160   HD22  ASN  24          2HD2      ASN  24 -24.159  -3.214  18.209
  161    H    LEU  25           H        LEU  25 -20.515   0.758  21.174
  162    HA   LEU  25           HA       LEU  25 -18.804   0.966  18.885
  163    HB2  LEU  25           1HB      LEU  25 -19.939   2.920  19.786
  164    HB3  LEU  25           2HB      LEU  25 -19.046   2.788  21.303
  165    HG   LEU  25           HG       LEU  25 -16.921   3.259  20.142
  166   HD11  LEU  25          1HD1      LEU  25 -16.926   4.076  17.817
  167   HD12  LEU  25          2HD1      LEU  25 -18.639   3.625  17.645
  168   HD13  LEU  25          3HD1      LEU  25 -17.389   2.380  17.880
  169   HD21  LEU  25          3HD2      LEU  25 -17.308   5.597  19.659
  170   HD22  LEU  25          1HD2      LEU  25 -18.298   5.117  21.049
  171   HD23  LEU  25          2HD2      LEU  25 -19.043   5.312  19.442
  172    H    ASN  26           H        ASN  26 -17.878   0.611  22.373
  173    HA   ASN  26           HA       ASN  26 -15.081   0.538  22.008
  174    HB2  ASN  26           1HB      ASN  26 -16.740  -1.247  23.856
  175    HB3  ASN  26           2HB      ASN  26 -15.018  -0.961  23.999
  176   HD21  ASN  26          1HD2      ASN  26 -16.833  -0.655  26.010
  177   HD22  ASN  26          2HD2      ASN  26 -16.823   1.045  26.501
  178    H    VAL  27           H        VAL  27 -17.392  -2.204  21.738
  179    HA   VAL  27           HA       VAL  27 -15.353  -4.120  21.186
  180    HB   VAL  27           HB       VAL  27 -17.915  -4.311  21.967
  181   HG11  VAL  27          1HG1      VAL  27 -19.020  -3.928  19.833
  182   HG12  VAL  27          2HG1      VAL  27 -18.147  -5.305  19.116
  183   HG13  VAL  27          3HG1      VAL  27 -19.299  -5.541  20.450
  184   HG21  VAL  27          3HG2      VAL  27 -16.121  -5.950  22.194
  185   HG22  VAL  27          1HG2      VAL  27 -17.608  -6.745  21.641
  186   HG23  VAL  27          2HG2      VAL  27 -16.312  -6.387  20.463
  187    H    HIS  28           H        HIS  28 -17.395  -2.222  19.095
  188    HA   HIS  28           HA       HIS  28 -16.767  -3.419  16.644
  189    HB2  HIS  28           1HB      HIS  28 -18.624  -1.924  16.934
  190    HB3  HIS  28           2HB      HIS  28 -17.590  -0.594  17.438
  191    HD1  HIS  28           1HD      HIS  28 -18.638  -2.310  14.185
  192    HD2  HIS  28           2HD      HIS  28 -16.298   0.862  15.636
  193    HE1  HIS  28           1HE      HIS  28 -17.839  -1.036  12.134
  194    H    LEU  29           H        LEU  29 -15.080  -0.744  18.319
  195    HA   LEU  29           HA       LEU  29 -13.252  -0.003  16.290
  196    HB2  LEU  29           1HB      LEU  29 -12.983  -0.016  19.313
  197    HB3  LEU  29           2HB      LEU  29 -11.838   0.796  18.260
  198    HG   LEU  29           HG       LEU  29 -14.792   1.480  18.222
  199   HD11  LEU  29          1HD1      LEU  29 -14.268   3.361  19.726
  200   HD12  LEU  29          2HD1      LEU  29 -12.586   2.795  19.867
  201   HD13  LEU  29          3HD1      LEU  29 -13.918   1.819  20.519
  202   HD21  LEU  29          3HD2      LEU  29 -13.986   3.633  17.386
  203   HD22  LEU  29          1HD2      LEU  29 -13.565   2.310  16.295
  204   HD23  LEU  29          2HD2      LEU  29 -12.321   3.018  17.359
  205    H    ARG  30           H        ARG  30 -13.198  -2.845  18.281
  206    HA   ARG  30           HA       ARG  30 -10.446  -3.498  18.276
  207    HB2  ARG  30           1HB      ARG  30 -12.849  -5.375  18.228
  208    HB3  ARG  30           2HB      ARG  30 -11.205  -5.834  18.661
  209    HG2  ARG  30           1HG      ARG  30 -11.229  -4.304  20.589
  210    HG3  ARG  30           2HG      ARG  30 -12.841  -3.737  20.146
  211    HD2  ARG  30           1HD      ARG  30 -13.040  -5.307  21.958
  212    HD3  ARG  30           2HD      ARG  30 -13.777  -5.986  20.514
  213    HE   ARG  30           HE       ARG  30 -11.186  -6.800  21.777
  214   HH11  ARG  30          2HH1      ARG  30 -13.655  -7.603  19.414
  215   HH12  ARG  30          1HH1      ARG  30 -13.037  -9.217  19.195
  216   HH21  ARG  30          2HH2      ARG  30 -10.460  -8.862  21.441
  217   HH22  ARG  30          1HH2      ARG  30 -11.277  -9.902  20.311
  218    H    LYS  31           H        LYS  31 -12.706  -3.763  15.641
  219    HA   LYS  31           HA       LYS  31 -10.991  -5.520  14.024
  220    HB2  LYS  31           1HB      LYS  31 -12.589  -5.425  12.374
  221    HB3  LYS  31           2HB      LYS  31 -13.507  -5.322  13.873
  222    HG2  LYS  31           1HG      LYS  31 -13.632  -2.784  13.483
  223    HG3  LYS  31           2HG      LYS  31 -12.842  -3.058  11.933
  224    HD2  LYS  31           1HD      LYS  31 -15.198  -2.896  11.527
  225    HD3  LYS  31           2HD      LYS  31 -14.691  -4.566  11.245
  226    HE2  LYS  31           1HE      LYS  31 -15.496  -5.101  13.611
  227    HE3  LYS  31           2HE      LYS  31 -16.140  -3.461  13.698
  228    HZ1  LYS  31           3HZ      LYS  31 -17.834  -5.071  12.974
  229    HZ2  LYS  31           1HZ      LYS  31 -16.925  -5.541  11.709
  230    HZ3  LYS  31           2HZ      LYS  31 -17.543  -4.033  11.741
  231    H    HIS  32           H        HIS  32 -11.202  -2.085  14.501
  232    HA   HIS  32           HA       HIS  32  -9.717  -1.402  12.068
  233    HB2  HIS  32           1HB      HIS  32 -10.629   0.305  14.412
  234    HB3  HIS  32           2HB      HIS  32  -9.918   0.894  12.917
  235    HD1  HIS  32           1HD      HIS  32 -11.529  -0.439  10.676
  236    HD2  HIS  32           2HD      HIS  32 -13.138   0.964  14.294
  237    HE1  HIS  32           1HE      HIS  32 -13.980  -0.002  10.208
  238    H    THR  33           H        THR  33  -8.823  -2.077  15.411
  239    HA   THR  33           HA       THR  33  -6.176  -0.883  15.314
  240    HB   THR  33           HB       THR  33  -5.646  -2.250  17.229
  241    HG1  THR  33           1HG      THR  33  -7.059  -3.842  17.943
  242   HG21  THR  33          3HG2      THR  33  -7.245  -0.328  17.558
  243   HG22  THR  33          1HG2      THR  33  -7.385  -1.620  18.774
  244   HG23  THR  33          2HG2      THR  33  -8.582  -1.503  17.464
  245    H    GLY  34           H        GLY  34  -7.538  -3.903  14.239
  246    HA2  GLY  34           1HA      GLY  34  -5.094  -5.280  13.563
  247    HA3  GLY  34           2HA      GLY  34  -6.759  -5.684  13.108
  248    H    GLU  35           H        GLU  35  -4.287  -3.197  12.453
  249    HA   GLU  35           HA       GLU  35  -5.383  -2.200  10.061
  250    HB2  GLU  35           1HB      GLU  35  -3.903  -0.966  11.515
  251    HB3  GLU  35           2HB      GLU  35  -2.556  -2.046  11.134
  252    HG2  GLU  35           1HG      GLU  35  -2.472  -1.254   8.848
  253    HG3  GLU  35           2HG      GLU  35  -4.021  -0.424   9.023
  254    H    LYS  36           H        LYS  36  -5.229  -2.496   7.973
  255    HA   LYS  36           HA       LYS  36  -3.656  -4.789   6.920
  256    HB2  LYS  36           1HB      LYS  36  -5.840  -3.109   5.630
  257    HB3  LYS  36           2HB      LYS  36  -4.873  -4.345   4.808
  258    HG2  LYS  36           1HG      LYS  36  -5.617  -5.969   6.656
  259    HG3  LYS  36           2HG      LYS  36  -6.805  -4.744   7.129
  260    HD2  LYS  36           1HD      LYS  36  -7.845  -4.833   4.899
  261    HD3  LYS  36           2HD      LYS  36  -6.549  -5.881   4.306
  262    HE2  LYS  36           1HE      LYS  36  -8.429  -7.277   4.700
  263    HE3  LYS  36           2HE      LYS  36  -7.207  -7.640   5.920
  264    HZ1  LYS  36           3HZ      LYS  36  -9.441  -7.459   6.891
  265    HZ2  LYS  36           1HZ      LYS  36  -9.606  -5.928   6.358
  266    HZ3  LYS  36           2HZ      LYS  36  -8.492  -6.281   7.504
  267    H    PHE  37           H        PHE  37  -1.726  -4.396   6.513
  268    HA   PHE  37           HA       PHE  37  -0.641  -1.819   5.602
  269    HB2  PHE  37           1HB      PHE  37   0.686  -4.511   6.138
  270    HB3  PHE  37           2HB      PHE  37   1.513  -2.986   5.852
  271    HD1  PHE  37           2HD      PHE  37   1.427  -1.124   7.512
  272    HD2  PHE  37           1HD      PHE  37  -0.335  -4.977   8.300
  273    HE1  PHE  37           2HE      PHE  37   1.086  -0.488   9.872
  274    HE2  PHE  37           1HE      PHE  37  -0.628  -4.359  10.679
  275    HZ   PHE  37           HZ       PHE  37  -0.010  -2.083  11.456
  276    H    ALA  38           H        ALA  38  -1.033  -1.321   3.539
  277    HA   ALA  38           HA       ALA  38  -1.265  -3.410   1.464
  278    HB1  ALA  38           1HB      ALA  38  -2.323  -1.649   0.148
  279    HB2  ALA  38           2HB      ALA  38  -3.070  -1.713   1.760
  280    HB3  ALA  38           3HB      ALA  38  -1.897  -0.432   1.367
  281    H    CYS  39           H        CYS  39  -0.095  -3.521  -0.445
  282    HA   CYS  39           HA       CYS  39   2.554  -2.369  -0.505
  283    HB2  CYS  39           1HB      CYS  39   1.906  -4.564  -1.278
  284    HB3  CYS  39           2HB      CYS  39   0.871  -3.862  -2.525
  285    H    ASP  40           H        ASP  40   3.354  -0.723  -1.593
  286    HA   ASP  40           HA       ASP  40   1.529   1.313  -2.717
  287    HB2  ASP  40           1HB      ASP  40   3.427   1.870  -1.152
  288    HB3  ASP  40           2HB      ASP  40   4.555   1.372  -2.415
  289    H    TYR  41           H        TYR  41   3.013  -1.453  -3.864
  290    HA   TYR  41           HA       TYR  41   3.593  -0.359  -6.591
  291    HB2  TYR  41           1HB      TYR  41   4.793  -2.743  -5.143
  292    HB3  TYR  41           2HB      TYR  41   5.160  -2.216  -6.764
  293    HD1  TYR  41           2HD      TYR  41   5.441  -1.506  -3.162
  294    HD2  TYR  41           1HD      TYR  41   6.681  -0.287  -7.107
  295    HE1  TYR  41           2HE      TYR  41   7.231  -0.080  -2.157
  296    HE2  TYR  41           1HE      TYR  41   8.479   1.122  -6.103
  297    HH   TYR  41           HH       TYR  41   8.970   1.360  -2.565
  298    H    CYS  42           H        CYS  42   1.819  -2.828  -4.812
  299    HA   CYS  42           HA       CYS  42   0.230  -3.282  -7.254
  300    HB2  CYS  42           1HB      CYS  42   0.167  -5.707  -7.034
  301    HB3  CYS  42           2HB      CYS  42   1.807  -5.129  -7.354
  302    H    SER  43           H        SER  43  -1.594  -5.072  -6.447
  303    HA   SER  43           HA       SER  43  -3.227  -3.619  -4.514
  304    HB2  SER  43           1HB      SER  43  -4.945  -5.297  -5.146
  305    HB3  SER  43           2HB      SER  43  -4.251  -4.442  -6.528
  306    HG   SER  43           HG       SER  43  -4.394  -6.717  -6.882
  307    H    PHE  44           H        PHE  44  -0.750  -5.688  -3.893
  308    HA   PHE  44           HA       PHE  44  -1.804  -7.671  -2.211
  309    HB2  PHE  44           1HB      PHE  44   0.418  -7.747  -3.012
  310    HB3  PHE  44           2HB      PHE  44   0.865  -6.262  -2.207
  311    HD1  PHE  44           2HD      PHE  44   0.245  -9.878  -1.765
  312    HD2  PHE  44           1HD      PHE  44   1.380  -6.208   0.196
  313    HE1  PHE  44           2HE      PHE  44   1.068 -11.171   0.190
  314    HE2  PHE  44           1HE      PHE  44   2.197  -7.503   2.147
  315    HZ   PHE  44           HZ       PHE  44   2.053  -9.988   2.144
  316    H    THR  45           H        THR  45  -2.032  -7.886  -0.024
  317    HA   THR  45           HA       THR  45  -1.587  -5.650   1.819
  318    HB   THR  45           HB       THR  45  -3.799  -6.007   2.903
  319    HG1  THR  45           1HG      THR  45  -4.376  -7.974   1.849
  320   HG21  THR  45          3HG2      THR  45  -3.918  -4.929   0.075
  321   HG22  THR  45          1HG2      THR  45  -3.384  -4.069   1.542
  322   HG23  THR  45          2HG2      THR  45  -5.073  -4.587   1.390
  323    H    CYS  46           H        CYS  46  -1.324  -6.213   3.937
  324    HA   CYS  46           HA       CYS  46  -1.723  -9.026   4.779
  325    HB2  CYS  46           1HB      CYS  46   0.658  -8.738   3.888
  326    HB3  CYS  46           2HB      CYS  46   0.950  -7.639   5.249
  327    HG   CYS  46           HG       CYS  46  -0.028 -10.827   5.221
  328    H    LEU  47           H        LEU  47  -1.706  -9.309   7.109
  329    HA   LEU  47           HA       LEU  47  -2.735  -6.967   8.571
  330    HB2  LEU  47           1HB      LEU  47  -2.619  -9.951   9.088
  331    HB3  LEU  47           2HB      LEU  47  -2.981  -8.843  10.387
  332    HG   LEU  47           HG       LEU  47  -4.988  -9.820   9.464
  333   HD11  LEU  47          1HD1      LEU  47  -4.901  -6.834   8.883
  334   HD12  LEU  47          2HD1      LEU  47  -5.075  -7.568  10.488
  335   HD13  LEU  47          3HD1      LEU  47  -6.328  -7.816   9.262
  336   HD21  LEU  47          3HD2      LEU  47  -5.891  -9.295   7.299
  337   HD22  LEU  47          1HD2      LEU  47  -4.296 -10.032   7.081
  338   HD23  LEU  47          2HD2      LEU  47  -4.499  -8.272   6.892
  339    H    SER  48           H        SER  48   0.345  -8.010   8.006
  340    HA   SER  48           HA       SER  48   1.377  -6.697  10.491
  341    HB2  SER  48           1HB      SER  48   2.502  -9.209   9.193
  342    HB3  SER  48           2HB      SER  48   3.249  -8.305  10.521
  343    HG   SER  48           HG       SER  48   2.041 -10.093  11.289
  344    H    LYS  49           H        LYS  49   2.648  -5.125  10.177
  345    HA   LYS  49           HA       LYS  49   3.381  -4.048   7.693
  346    HB2  LYS  49           1HB      LYS  49   4.896  -2.626   9.016
  347    HB3  LYS  49           2HB      LYS  49   3.226  -2.658   9.575
  348    HG2  LYS  49           1HG      LYS  49   3.992  -4.238  11.435
  349    HG3  LYS  49           2HG      LYS  49   5.647  -3.976  10.860
  350    HD2  LYS  49           1HD      LYS  49   5.359  -2.457  12.645
  351    HD3  LYS  49           2HD      LYS  49   5.240  -1.474  11.172
  352    HE2  LYS  49           1HE      LYS  49   2.761  -1.539  11.338
  353    HE3  LYS  49           2HE      LYS  49   2.879  -2.545  12.786
  354    HZ1  LYS  49           3HZ      LYS  49   2.572  -0.202  13.356
  355    HZ2  LYS  49           1HZ      LYS  49   3.926   0.229  12.553
  356    HZ3  LYS  49           2HZ      LYS  49   4.029  -0.702  13.892
  357    H    GLY  50           H        GLY  50   5.291  -6.166   9.794
  358    HA2  GLY  50           1HA      GLY  50   7.779  -5.924   8.391
  359    HA3  GLY  50           2HA      GLY  50   7.285  -7.214   9.485
  360    H    HIS  51           H        HIS  51   4.978  -8.132   7.913
  361    HA   HIS  51           HA       HIS  51   6.279  -9.693   5.825
  362    HB2  HIS  51           1HB      HIS  51   3.350  -9.317   6.503
  363    HB3  HIS  51           2HB      HIS  51   3.998 -10.511   5.376
  364    HD1  HIS  51           1HD      HIS  51   2.332 -11.462   7.867
  365    HD2  HIS  51           2HD      HIS  51   6.525 -11.155   7.664
  366    HE1  HIS  51           1HE      HIS  51   3.253 -13.045   9.645
  367    H    LEU  52           H        LEU  52   4.240  -6.729   5.829
  368    HA   LEU  52           HA       LEU  52   4.106  -6.470   2.978
  369    HB2  LEU  52           1HB      LEU  52   2.682  -5.094   4.383
  370    HB3  LEU  52           2HB      LEU  52   4.077  -4.385   5.195
  371    HG   LEU  52           HG       LEU  52   4.809  -3.340   3.044
  372   HD11  LEU  52          1HD1      LEU  52   3.723  -4.896   1.445
  373   HD12  LEU  52          2HD1      LEU  52   3.239  -3.229   1.195
  374   HD13  LEU  52          3HD1      LEU  52   2.123  -4.349   2.010
  375   HD21  LEU  52          3HD2      LEU  52   3.242  -1.564   3.002
  376   HD22  LEU  52          1HD2      LEU  52   3.411  -2.100   4.681
  377   HD23  LEU  52          2HD2      LEU  52   1.980  -2.567   3.724
  378    H    LYS  53           H        LYS  53   6.631  -5.343   5.325
  379    HA   LYS  53           HA       LYS  53   8.362  -4.156   3.387
  380    HB2  LYS  53           1HB      LYS  53   8.774  -3.669   5.640
  381    HB3  LYS  53           2HB      LYS  53   8.666  -5.350   6.141
  382    HG2  LYS  53           1HG      LYS  53  10.812  -5.867   5.078
  383    HG3  LYS  53           2HG      LYS  53  10.972  -4.183   4.528
  384    HD2  LYS  53           1HD      LYS  53  11.222  -3.381   6.776
  385    HD3  LYS  53           2HD      LYS  53  10.497  -4.844   7.453
  386    HE2  LYS  53           1HE      LYS  53  12.741  -5.079   7.948
  387    HE3  LYS  53           2HE      LYS  53  12.420  -6.177   6.601
  388    HZ1  LYS  53           3HZ      LYS  53  14.508  -4.858   6.364
  389    HZ2  LYS  53           1HZ      LYS  53  13.647  -3.477   6.284
  390    HZ3  LYS  53           2HZ      LYS  53  13.523  -4.612   5.102
  391    H    VAL  54           H        VAL  54   8.379  -7.555   4.644
  392    HA   VAL  54           HA       VAL  54  10.414  -8.471   2.908
  393    HB   VAL  54           HB       VAL  54   8.070 -10.028   4.057
  394   HG11  VAL  54          1HG1      VAL  54  10.638 -11.006   2.720
  395   HG12  VAL  54          2HG1      VAL  54   9.558 -12.032   3.700
  396   HG13  VAL  54          3HG1      VAL  54   8.975 -11.327   2.194
  397   HG21  VAL  54          3HG2      VAL  54  10.992  -9.853   4.908
  398   HG22  VAL  54          1HG2      VAL  54   9.665  -8.999   5.708
  399   HG23  VAL  54          2HG2      VAL  54   9.689 -10.764   5.717
  400    H    HIS  55           H        HIS  55   6.879  -8.327   2.244
  401    HA   HIS  55           HA       HIS  55   6.943  -9.498  -0.322
  402    HB2  HIS  55           1HB      HIS  55   4.843  -9.100   0.770
  403    HB3  HIS  55           2HB      HIS  55   5.163  -7.378   0.927
  404    HD1  HIS  55           1HD      HIS  55   4.202  -9.922  -1.795
  405    HD2  HIS  55           2HD      HIS  55   4.538  -5.787  -1.099
  406    HE1  HIS  55           1HE      HIS  55   3.234  -8.789  -3.849
  407    H    ILE  56           H        ILE  56   7.451  -6.021   0.516
  408    HA   ILE  56           HA       ILE  56   7.942  -5.292  -2.269
  409    HB   ILE  56           HB       ILE  56   8.547  -3.865   0.328
  410   HG12  ILE  56          1HG1      ILE  56   6.297  -3.320  -1.653
  411   HG13  ILE  56          2HG1      ILE  56   6.090  -4.331  -0.233
  412   HG21  ILE  56          1HG2      ILE  56   8.541  -2.774  -2.526
  413   HG22  ILE  56          2HG2      ILE  56   8.848  -1.834  -1.053
  414   HG23  ILE  56          3HG2      ILE  56   9.999  -3.067  -1.547
  415   HD11  ILE  56          3HD1      ILE  56   6.677  -2.466   1.252
  416   HD12  ILE  56          1HD1      ILE  56   6.812  -1.387  -0.159
  417   HD13  ILE  56          2HD1      ILE  56   5.258  -2.130   0.245
  418    H    GLU  57           H        GLU  57  10.041  -6.222   0.427
  419    HA   GLU  57           HA       GLU  57  12.551  -5.749  -0.889
  420    HB2  GLU  57           1HB      GLU  57  11.781  -7.610   1.371
  421    HB3  GLU  57           2HB      GLU  57  13.428  -7.230   0.950
  422    HG2  GLU  57           1HG      GLU  57  11.724  -4.834   1.509
  423    HG3  GLU  57           2HG      GLU  57  11.937  -5.956   2.850
  424    H    ARG  58           H        ARG  58  10.258  -8.224  -1.408
  425    HA   ARG  58           HA       ARG  58  12.298  -9.929  -2.814
  426    HB2  ARG  58           1HB      ARG  58  11.159 -11.854  -2.296
  427    HB3  ARG  58           2HB      ARG  58  10.968 -10.879  -0.852
  428    HG2  ARG  58           1HG      ARG  58   8.682 -10.203  -1.721
  429    HG3  ARG  58           2HG      ARG  58   8.902 -11.431  -2.987
  430    HD2  ARG  58           1HD      ARG  58   9.194 -13.132  -1.145
  431    HD3  ARG  58           2HD      ARG  58   8.778 -11.855   0.011
  432    HE   ARG  58           HE       ARG  58   6.967 -12.735  -2.227
  433   HH11  ARG  58          2HH1      ARG  58   7.247 -12.051   1.195
  434   HH12  ARG  58          1HH1      ARG  58   5.524 -12.132   1.436
  435   HH21  ARG  58          2HH2      ARG  58   4.809 -12.912  -1.828
  436   HH22  ARG  58          1HH2      ARG  58   4.195 -12.645  -0.224
  437    H    VAL  59           H        VAL  59   9.036  -8.522  -3.231
  438    HA   VAL  59           HA       VAL  59   8.977  -9.566  -5.951
  439    HB   VAL  59           HB       VAL  59   6.875  -7.865  -4.556
  440   HG11  VAL  59          1HG1      VAL  59   6.718  -9.593  -7.065
  441   HG12  VAL  59          2HG1      VAL  59   5.354  -8.762  -6.287
  442   HG13  VAL  59          3HG1      VAL  59   6.647  -7.817  -7.019
  443   HG21  VAL  59          3HG2      VAL  59   7.145 -10.888  -4.840
  444   HG22  VAL  59          1HG2      VAL  59   7.047  -9.935  -3.336
  445   HG23  VAL  59          2HG2      VAL  59   5.641 -10.066  -4.378
  446    H    HIS  60           H        HIS  60   8.939  -6.338  -4.403
  447    HA   HIS  60           HA       HIS  60   9.325  -5.023  -7.034
  448    HB2  HIS  60           1HB      HIS  60   8.434  -3.795  -4.439
  449    HB3  HIS  60           2HB      HIS  60   8.340  -3.086  -6.049
  450    HD1  HIS  60           1HD      HIS  60   6.585  -4.583  -7.780
  451    HD2  HIS  60           2HD      HIS  60   6.334  -5.016  -3.607
  452    HE1  HIS  60           1HE      HIS  60   4.287  -5.571  -7.328
  453    H    LYS  61           H        LYS  61  11.448  -6.231  -5.251
  454    HA   LYS  61           HA       LYS  61  13.204  -4.222  -4.264
  455    HB2  LYS  61           1HB      LYS  61  13.333  -6.507  -3.569
  456    HB3  LYS  61           2HB      LYS  61  13.560  -7.085  -5.207
  457    HG2  LYS  61           1HG      LYS  61  15.624  -7.272  -3.992
  458    HG3  LYS  61           2HG      LYS  61  15.804  -6.149  -5.325
  459    HD2  LYS  61           1HD      LYS  61  17.011  -5.429  -3.315
  460    HD3  LYS  61           2HD      LYS  61  15.797  -4.239  -3.779
  461    HE2  LYS  61           1HE      LYS  61  14.269  -5.040  -2.054
  462    HE3  LYS  61           2HE      LYS  61  15.363  -6.370  -1.646
  463    HZ1  LYS  61           3HZ      LYS  61  15.559  -4.500  -0.109
  464    HZ2  LYS  61           1HZ      LYS  61  16.013  -3.486  -1.310
  465    HZ3  LYS  61           2HZ      LYS  61  16.982  -4.739  -0.884
  466    H    LYS  62           H        LYS  62  14.699  -3.001  -5.127
  467    HA   LYS  62           HA       LYS  62  15.817  -1.723  -6.587
  468    HB2  LYS  62           1HB      LYS  62  17.095  -3.946  -6.481
  469    HB3  LYS  62           2HB      LYS  62  16.484  -4.266  -8.104
  470    HG2  LYS  62           1HG      LYS  62  17.595  -2.158  -8.897
  471    HG3  LYS  62           2HG      LYS  62  18.164  -1.859  -7.245
  472    HD2  LYS  62           1HD      LYS  62  19.447  -3.984  -7.302
  473    HD3  LYS  62           2HD      LYS  62  18.868  -4.289  -8.955
  474    HE2  LYS  62           1HE      LYS  62  19.941  -2.180  -9.715
  475    HE3  LYS  62           2HE      LYS  62  20.516  -1.875  -8.070
  476    HZ1  LYS  62           3HZ      LYS  62  21.295  -4.210  -9.739
  477    HZ2  LYS  62           1HZ      LYS  62  21.825  -3.928  -8.217
  478    HZ3  LYS  62           2HZ      LYS  62  22.238  -2.916  -9.428
  479    H    ILE  63           H        ILE  63  13.331  -1.393  -7.022
  480    HA   ILE  63           HA       ILE  63  13.062  -1.008  -9.970
  481    HB   ILE  63           HB       ILE  63  11.228  -2.262  -8.517
  482   HG12  ILE  63          1HG1      ILE  63  10.493  -0.227 -10.658
  483   HG13  ILE  63          2HG1      ILE  63  11.196  -1.821 -10.951
  484   HG21  ILE  63          1HG2      ILE  63  10.934  -0.283  -6.943
  485   HG22  ILE  63          2HG2      ILE  63  10.199   0.604  -8.309
  486   HG23  ILE  63          3HG2      ILE  63   9.451  -0.878  -7.683
  487   HD11  ILE  63          3HD1      ILE  63   8.821  -1.960 -11.317
  488   HD12  ILE  63          1HD1      ILE  63   9.203  -2.875  -9.845
  489   HD13  ILE  63          2HD1      ILE  63   8.461  -1.260  -9.733
  490    H    LYS  64           H        LYS  64  12.315   1.049 -10.710
  491    HA   LYS  64           HA       LYS  64  12.389   3.358  -8.860
  492    HB2  LYS  64           1HB      LYS  64  13.985   4.616 -10.173
  493    HB3  LYS  64           2HB      LYS  64  14.700   3.149  -9.523
  494    HG2  LYS  64           1HG      LYS  64  14.249   2.087 -11.859
  495    HG3  LYS  64           2HG      LYS  64  13.898   3.731 -12.396
  496    HD2  LYS  64           1HD      LYS  64  16.152   3.257 -12.981
  497    HD3  LYS  64           2HD      LYS  64  16.207   4.409 -11.641
  498    HE2  LYS  64           1HE      LYS  64  16.655   2.545 -10.055
  499    HE3  LYS  64           2HE      LYS  64  16.546   1.384 -11.385
  500    HZ1  LYS  64           3HZ      LYS  64  18.854   1.960 -10.898
  501    HZ2  LYS  64           1HZ      LYS  64  18.582   3.544 -11.171
  502    HZ3  LYS  64           2HZ      LYS  64  18.480   2.470 -12.401
  503    H    GLN  65           H        GLN  65  10.709   4.618  -9.231
  504    HA   GLN  65           HA       GLN  65   9.110   4.298 -11.661
  505    HB2  GLN  65           1HB      GLN  65   8.849   6.356  -9.426
  506    HB3  GLN  65           2HB      GLN  65   7.747   6.151 -10.768
  507    HG2  GLN  65           1HG      GLN  65   6.743   5.125  -8.910
  508    HG3  GLN  65           2HG      GLN  65   7.219   3.841 -10.020
  509   HE21  GLN  65          1HE2      GLN  65   8.705   5.673  -7.239
  510   HE22  GLN  65          2HE2      GLN  65   9.249   4.213  -6.428
  511    H    HIS  66           H        HIS  66   9.353   5.576 -13.527
  512    HA   HIS  66           HA       HIS  66  11.170   7.924 -13.393
  513    HB2  HIS  66           1HB      HIS  66  12.460   7.025 -15.304
  514    HB3  HIS  66           2HB      HIS  66  12.638   6.101 -13.816
  515    HD1  HIS  66           1HD      HIS  66  11.558   3.593 -13.797
  516    HD2  HIS  66           2HD      HIS  66  11.237   5.783 -17.390
  517    HE1  HIS  66           1HE      HIS  66  10.891   1.922 -15.601
  518    H    CYS  67           H        CYS  67  10.896   9.500 -14.778
  519    HA   CYS  67           HA       CYS  67   8.406   9.817 -16.133
  520    HB2  CYS  67           1HB      CYS  67   9.680  11.604 -15.060
  521    HB3  CYS  67           2HB      CYS  67  10.974  11.425 -16.253
  522    H    ARG  68           H        ARG  68   7.794   9.789 -18.137
  523    HA   ARG  68           HA       ARG  68   9.218   8.198 -20.153
  524    HB2  ARG  68           1HB      ARG  68   6.861   7.899 -19.766
  525    HB3  ARG  68           2HB      ARG  68   6.503   9.599 -20.029
  526    HG2  ARG  68           1HG      ARG  68   7.787   8.030 -22.246
  527    HG3  ARG  68           2HG      ARG  68   6.081   7.748 -21.882
  528    HD2  ARG  68           1HD      ARG  68   5.497  10.018 -22.316
  529    HD3  ARG  68           2HD      ARG  68   7.172  10.519 -22.509
  530    HE   ARG  68           HE       ARG  68   5.467   9.192 -24.462
  531   HH11  ARG  68          2HH1      ARG  68   8.872   9.699 -23.681
  532   HH12  ARG  68          1HH1      ARG  68   9.344   9.522 -25.352
  533   HH21  ARG  68          2HH2      ARG  68   6.178   8.946 -26.538
  534   HH22  ARG  68          1HH2      ARG  68   7.870   9.086 -26.908
  535    H    PHE  69           H        PHE  69   8.890  11.550 -19.457
  536    HA   PHE  69           HA       PHE  69   9.522  12.374 -22.256
  537    HB2  PHE  69           1HB      PHE  69   8.439  13.907 -19.896
  538    HB3  PHE  69           2HB      PHE  69   8.618  14.538 -21.525
  539    HD1  PHE  69           1HD      PHE  69   6.692  12.188 -19.361
  540    HD2  PHE  69           2HD      PHE  69   7.004  13.979 -23.272
  541    HE1  PHE  69           1HE      PHE  69   4.361  11.516 -19.853
  542    HE2  PHE  69           2HE      PHE  69   4.670  13.293 -23.765
  543    HZ   PHE  69           HZ       PHE  69   3.331  12.091 -22.044
  544    H    CYS  70           H        CYS  70  10.805  12.755 -18.950
  545    HA   CYS  70           HA       CYS  70  13.237  14.045 -20.095
  546    HB2  CYS  70           1HB      CYS  70  13.415  15.556 -18.283
  547    HB3  CYS  70           2HB      CYS  70  11.866  15.760 -19.091
  548    H    LYS  71           H        LYS  71  12.280  11.280 -18.771
  549    HA   LYS  71           HA       LYS  71  13.211   9.531 -17.678
  550    HB2  LYS  71           1HB      LYS  71  15.887  10.674 -18.509
  551    HB3  LYS  71           2HB      LYS  71  15.495   8.992 -18.177
  552    HG2  LYS  71           1HG      LYS  71  14.497  10.644 -20.536
  553    HG3  LYS  71           2HG      LYS  71  15.728   9.386 -20.557
  554    HD2  LYS  71           1HD      LYS  71  14.007   7.691 -19.891
  555    HD3  LYS  71           2HD      LYS  71  12.785   8.966 -19.885
  556    HE2  LYS  71           1HE      LYS  71  12.540   7.819 -21.942
  557    HE3  LYS  71           2HE      LYS  71  13.222   9.409 -22.297
  558    HZ1  LYS  71           3HZ      LYS  71  14.784   6.877 -22.147
  559    HZ2  LYS  71           1HZ      LYS  71  15.410   8.343 -22.516
  560    HZ3  LYS  71           2HZ      LYS  71  14.349   7.630 -23.526
  561    H    LYS  72           H        LYS  72  12.958  12.109 -16.070
  562    HA   LYS  72           HA       LYS  72  14.854  11.952 -13.914
  563    HB2  LYS  72           1HB      LYS  72  13.354  13.911 -14.557
  564    HB3  LYS  72           2HB      LYS  72  11.999  13.025 -13.883
  565    HG2  LYS  72           1HG      LYS  72  13.006  13.054 -11.660
  566    HG3  LYS  72           2HG      LYS  72  14.517  13.729 -12.297
  567    HD2  LYS  72           1HD      LYS  72  13.435  15.825 -12.870
  568    HD3  LYS  72           2HD      LYS  72  11.836  15.169 -12.494
  569    HE2  LYS  72           1HE      LYS  72  12.641  14.768 -10.120
  570    HE3  LYS  72           2HE      LYS  72  14.125  15.643 -10.532
  571    HZ1  LYS  72           3HZ      LYS  72  11.367  16.737 -10.652
  572    HZ2  LYS  72           1HZ      LYS  72  12.714  17.582 -11.063
  573    HZ3  LYS  72           2HZ      LYS  72  12.481  17.113  -9.516
  574    H    LYS  73           H        LYS  73  14.795  10.819 -11.992
  575    HA   LYS  73           HA       LYS  73  12.838   8.579 -11.756
  576    HB2  LYS  73           1HB      LYS  73  15.599   9.060 -10.633
  577    HB3  LYS  73           2HB      LYS  73  14.474   8.041  -9.753
  578    HG2  LYS  73           1HG      LYS  73  15.813   6.634 -11.121
  579    HG3  LYS  73           2HG      LYS  73  14.145   6.579 -11.673
  580    HD2  LYS  73           1HD      LYS  73  15.633   6.539 -13.571
  581    HD3  LYS  73           2HD      LYS  73  14.722   8.048 -13.592
  582    HE2  LYS  73           1HE      LYS  73  16.685   9.230 -12.589
  583    HE3  LYS  73           2HE      LYS  73  17.579   7.704 -12.546
  584    HZ1  LYS  73           3HZ      LYS  73  18.133   9.039 -14.514
  585    HZ2  LYS  73           1HZ      LYS  73  16.573   9.018 -15.019
  586    HZ3  LYS  73           2HZ      LYS  73  17.446   7.631 -14.975
  587    H    TYR  74           H        TYR  74  11.568   8.221 -10.046
  588    HA   TYR  74           HA       TYR  74  11.116  10.488  -8.138
  589    HB2  TYR  74           1HB      TYR  74   9.261   9.210 -10.130
  590    HB3  TYR  74           2HB      TYR  74   8.605   9.720  -8.583
  591    HD1  TYR  74           1HD      TYR  74  10.413  10.996 -11.624
  592    HD2  TYR  74           2HD      TYR  74   8.259  11.979  -8.012
  593    HE1  TYR  74           1HE      TYR  74  10.507  13.405 -12.226
  594    HE2  TYR  74           2HE      TYR  74   8.391  14.394  -8.593
  595    HH   TYR  74           HH       TYR  74   9.190  15.939 -10.016
  596    H    SER  75           H        SER  75  10.871  10.010  -6.090
  597    HA   SER  75           HA       SER  75  11.193   7.325  -5.121
  598    HB2  SER  75           1HB      SER  75  10.458   9.850  -3.595
  599    HB3  SER  75           2HB      SER  75  11.116   8.350  -2.912
  600    HG   SER  75           HG       SER  75  12.748   9.935  -3.256
  601    H    ASP  76           H        ASP  76   8.339   9.196  -5.773
  602    HA   ASP  76           HA       ASP  76   6.582   7.062  -4.652
  603    HB2  ASP  76           1HB      ASP  76   6.210  10.069  -4.304
  604    HB3  ASP  76           2HB      ASP  76   4.994   8.851  -3.941
  605    H    VAL  77           H        VAL  77   5.083   6.402  -6.126
  606    HA   VAL  77           HA       VAL  77   5.290   7.349  -8.803
  607    HB   VAL  77           HB       VAL  77   4.632   5.038  -8.076
  608   HG11  VAL  77          1HG1      VAL  77   1.806   6.134  -7.803
  609   HG12  VAL  77          2HG1      VAL  77   2.334   4.449  -7.681
  610   HG13  VAL  77          3HG1      VAL  77   2.835   5.610  -6.446
  611   HG21  VAL  77          3HG2      VAL  77   3.222   4.626 -10.018
  612   HG22  VAL  77          1HG2      VAL  77   2.805   6.351 -10.129
  613   HG23  VAL  77          2HG2      VAL  77   4.480   5.810 -10.405
  614    H    LYS  78           H        LYS  78   2.863   8.180  -6.318
  615    HA   LYS  78           HA       LYS  78   1.062   9.580  -8.053
  616    HB2  LYS  78           1HB      LYS  78   1.698  10.125  -5.117
  617    HB3  LYS  78           2HB      LYS  78   0.283  10.707  -5.988
  618    HG2  LYS  78           1HG      LYS  78   0.931   7.791  -5.371
  619    HG3  LYS  78           2HG      LYS  78  -0.266   8.803  -4.565
  620    HD2  LYS  78           1HD      LYS  78  -1.514   9.018  -6.726
  621    HD3  LYS  78           2HD      LYS  78  -0.351   7.904  -7.481
  622    HE2  LYS  78           1HE      LYS  78  -0.930   6.160  -5.820
  623    HE3  LYS  78           2HE      LYS  78  -2.079   7.262  -5.051
  624    HZ1  LYS  78           3HZ      LYS  78  -3.197   5.761  -6.594
  625    HZ2  LYS  78           1HZ      LYS  78  -2.287   6.270  -7.848
  626    HZ3  LYS  78           2HZ      LYS  78  -3.347   7.292  -7.134
  627    H    ASN  79           H        ASN  79   4.095  10.643  -6.598
  628    HA   ASN  79           HA       ASN  79   3.735  13.388  -7.529
  629    HB2  ASN  79           1HB      ASN  79   6.064  11.892  -6.260
  630    HB3  ASN  79           2HB      ASN  79   6.208  13.553  -6.828
  631   HD21  ASN  79          1HD2      ASN  79   6.442  12.543  -4.053
  632   HD22  ASN  79          2HD2      ASN  79   5.234  13.461  -3.169
  633    H    LEU  80           H        LEU  80   5.121  10.457  -8.936
  634    HA   LEU  80           HA       LEU  80   6.406  11.799 -11.143
  635    HB2  LEU  80           1HB      LEU  80   6.823   9.411 -10.561
  636    HB3  LEU  80           2HB      LEU  80   5.155   9.030 -10.988
  637    HG   LEU  80           HG       LEU  80   5.570   9.747 -13.333
  638   HD11  LEU  80          1HD1      LEU  80   7.873  10.014 -14.090
  639   HD12  LEU  80          2HD1      LEU  80   8.475   9.854 -12.429
  640   HD13  LEU  80          3HD1      LEU  80   7.510  11.269 -12.917
  641   HD21  LEU  80          3HD2      LEU  80   7.528   7.641 -12.380
  642   HD22  LEU  80          1HD2      LEU  80   6.805   7.791 -13.991
  643   HD23  LEU  80          2HD2      LEU  80   5.781   7.368 -12.611
  644    H    ILE  81           H        ILE  81   3.065  10.525 -10.652
  645    HA   ILE  81           HA       ILE  81   2.041  11.296 -13.199
  646    HB   ILE  81           HB       ILE  81   0.435  11.341 -10.630
  647   HG12  ILE  81          1HG1      ILE  81   1.460   9.264 -10.503
  648   HG13  ILE  81          2HG1      ILE  81  -0.155   8.988 -11.075
  649   HG21  ILE  81          1HG2      ILE  81  -0.304  10.839 -13.538
  650   HG22  ILE  81          2HG2      ILE  81  -1.416  10.715 -12.155
  651   HG23  ILE  81          3HG2      ILE  81  -0.698  12.277 -12.573
  652   HD11  ILE  81          3HD1      ILE  81   1.383   7.527 -12.262
  653   HD12  ILE  81          1HD1      ILE  81   0.698   8.700 -13.404
  654   HD13  ILE  81          2HD1      ILE  81   2.358   8.906 -12.797
  655    H    LYS  82           H        LYS  82   2.033  13.071 -10.091
  656    HA   LYS  82           HA       LYS  82   0.864  15.479 -10.975
  657    HB2  LYS  82           1HB      LYS  82   1.314  14.721  -8.622
  658    HB3  LYS  82           2HB      LYS  82   3.036  15.017  -8.875
  659    HG2  LYS  82           1HG      LYS  82   2.514  17.450  -9.252
  660    HG3  LYS  82           2HG      LYS  82   0.833  17.116  -8.799
  661    HD2  LYS  82           1HD      LYS  82   3.294  16.575  -7.066
  662    HD3  LYS  82           2HD      LYS  82   2.255  17.995  -6.916
  663    HE2  LYS  82           1HE      LYS  82   0.371  16.683  -6.204
  664    HE3  LYS  82           2HE      LYS  82   1.172  15.162  -6.622
  665    HZ1  LYS  82           3HZ      LYS  82   2.158  16.981  -4.500
  666    HZ2  LYS  82           1HZ      LYS  82   2.744  15.486  -4.868
  667    HZ3  LYS  82           2HZ      LYS  82   1.254  15.649  -4.226
  668    H    HIS  83           H        HIS  83   4.343  14.596 -10.980
  669    HA   HIS  83           HA       HIS  83   5.368  16.961 -12.196
  670    HB2  HIS  83           1HB      HIS  83   6.861  15.414 -11.188
  671    HB3  HIS  83           2HB      HIS  83   6.238  14.056 -12.108
  672    HD1  HIS  83           1HD      HIS  83   8.454  17.151 -12.672
  673    HD2  HIS  83           2HD      HIS  83   7.306  13.509 -14.427
  674    HE1  HIS  83           1HE      HIS  83  10.011  16.826 -14.645
  675    H    ILE  84           H        ILE  84   4.100  13.979 -13.808
  676    HA   ILE  84           HA       ILE  84   4.547  14.970 -16.472
  677    HB   ILE  84           HB       ILE  84   2.697  12.881 -15.315
  678   HG12  ILE  84          1HG1      ILE  84   5.094  12.516 -17.158
  679   HG13  ILE  84          2HG1      ILE  84   5.272  12.606 -15.408
  680   HG21  ILE  84          1HG2      ILE  84   2.278  12.116 -17.668
  681   HG22  ILE  84          2HG2      ILE  84   1.563  13.685 -17.334
  682   HG23  ILE  84          3HG2      ILE  84   3.077  13.587 -18.260
  683   HD11  ILE  84          3HD1      ILE  84   3.665  10.511 -16.906
  684   HD12  ILE  84          1HD1      ILE  84   5.184  10.292 -16.015
  685   HD13  ILE  84          2HD1      ILE  84   3.694  10.705 -15.136
  686    H    ARG  85           H        ARG  85   1.661  15.180 -14.366
  687    HA   ARG  85           HA       ARG  85   0.064  16.722 -16.203
  688    HB2  ARG  85           1HB      ARG  85  -0.022  16.555 -13.160
  689    HB3  ARG  85           2HB      ARG  85  -1.251  17.332 -14.169
  690    HG2  ARG  85           1HG      ARG  85  -1.572  15.155 -15.381
  691    HG3  ARG  85           2HG      ARG  85  -0.532  14.365 -14.203
  692    HD2  ARG  85           1HD      ARG  85  -3.080  15.893 -13.586
  693    HD3  ARG  85           2HD      ARG  85  -2.948  14.134 -13.737
  694    HE   ARG  85           HE       ARG  85  -1.452  15.708 -11.660
  695   HH11  ARG  85          2HH1      ARG  85  -3.653  13.059 -12.314
  696   HH12  ARG  85          1HH1      ARG  85  -3.636  12.525 -10.658
  697   HH21  ARG  85          2HH2      ARG  85  -1.486  14.966  -9.565
  698   HH22  ARG  85          1HH2      ARG  85  -2.429  13.565  -9.163
  699    H    ASP  86           H        ASP  86   2.556  17.791 -14.024
  700    HA   ASP  86           HA       ASP  86   1.879  20.650 -14.389
  701    HB2  ASP  86           1HB      ASP  86   4.030  19.207 -12.807
  702    HB3  ASP  86           2HB      ASP  86   3.957  20.957 -12.958
  703    H    ALA  87           H        ALA  87   4.570  18.496 -15.390
  704    HA   ALA  87           HA       ALA  87   5.849  20.757 -16.828
  705    HB1  ALA  87           1HB      ALA  87   7.114  19.488 -15.113
  706    HB2  ALA  87           2HB      ALA  87   6.916  18.006 -16.077
  707    HB3  ALA  87           3HB      ALA  87   7.847  19.367 -16.725
  708    H    HIS  88           H        HIS  88   4.217  17.718 -17.564
  709    HA   HIS  88           HA       HIS  88   4.984  17.950 -20.437
  710    HB2  HIS  88           1HB      HIS  88   4.602  15.404 -18.841
  711    HB3  HIS  88           2HB      HIS  88   5.174  15.555 -20.491
  712    HD1  HIS  88           1HD      HIS  88   7.604  17.407 -20.373
  713    HD2  HIS  88           2HD      HIS  88   6.533  14.724 -17.326
  714    HE1  HIS  88           1HE      HIS  88   9.750  16.926 -19.090
  715    H    ASP  89           H        ASP  89   2.516  18.860 -18.972
  716    HA   ASP  89           HA       ASP  89   0.334  17.301 -19.272
  717    HB2  ASP  89           1HB      ASP  89  -1.021  19.252 -19.173
  718    HB3  ASP  89           2HB      ASP  89   0.398  19.482 -18.168
  719    HA   PRO  90           HA       PRO  90  -0.301  16.747 -23.634
  720    HB2  PRO  90           1HB      PRO  90  -2.720  15.494 -23.667
  721    HB3  PRO  90           2HB      PRO  90  -1.241  14.735 -22.994
  722    HG2  PRO  90           1HG      PRO  90  -3.441  16.190 -21.488
  723    HG3  PRO  90           2HG      PRO  90  -2.716  14.593 -21.115
  724    HD2  PRO  90           1HD      PRO  90  -1.896  16.891 -19.879
  725    HD3  PRO  90           2HD      PRO  90  -0.742  15.586 -20.272
  726    H    GLN  91           H        GLN  91  -1.458  17.475 -25.455
  727    HA   GLN  91           HA       GLN  91  -3.742  19.315 -25.127
  728    HB2  GLN  91           1HB      GLN  91  -1.760  20.734 -25.178
  729    HB3  GLN  91           2HB      GLN  91  -1.148  19.902 -26.621
  730    HG2  GLN  91           1HG      GLN  91  -3.041  20.694 -27.933
  731    HG3  GLN  91           2HG      GLN  91  -3.777  21.430 -26.505
  732   HE21  GLN  91          1HE2      GLN  91  -3.614  23.201 -28.423
  733   HE22  GLN  91          2HE2      GLN  91  -2.212  24.253 -28.257
  734    H    ASP  92           H        ASP  92  -5.276  18.953 -26.611
  735    HA   ASP  92           HA       ASP  92  -4.995  16.827 -28.617
  736    HB2  ASP  92           1HB      ASP  92  -6.979  16.960 -27.192
  737    HB3  ASP  92           2HB      ASP  92  -7.355  18.562 -27.819
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  12.585 -38.844   6.026
    2    H2   GLY   1           2H       GLY   1  11.750 -40.157   6.535
    3    H3   GLY   1           3H       GLY   1  12.037 -38.917   7.568
    4    HA2  GLY   1           1HA      GLY   1   9.746 -38.854   6.826
    5    HA3  GLY   1           2HA      GLY   1  10.655 -37.428   6.289
    6    H    SER   2           H        SER   2   8.333 -39.270   5.242
    7    HA   SER   2           HA       SER   2   9.207 -39.385   2.377
    8    HB2  SER   2           1HB      SER   2   7.667 -41.542   3.876
    9    HB3  SER   2           2HB      SER   2   8.046 -41.539   2.145
   10    HG   SER   2           HG       SER   2   9.538 -42.795   3.361
   11    H    SER   3           H        SER   3   7.361 -39.544   0.843
   12    HA   SER   3           HA       SER   3   5.416 -37.552   1.199
   13    HB2  SER   3           1HB      SER   3   5.280 -39.975  -0.638
   14    HB3  SER   3           2HB      SER   3   4.342 -38.477  -0.800
   15    HG   SER   3           HG       SER   3   6.225 -38.482  -2.130
   16    H    GLY   4           H        GLY   4   3.613 -37.435   2.367
   17    HA2  GLY   4           1HA      GLY   4   1.633 -37.986   3.403
   18    HA3  GLY   4           2HA      GLY   4   1.695 -39.583   2.661
   19    H    SER   5           H        SER   5   4.553 -38.983   4.496
   20    HA   SER   5           HA       SER   5   3.784 -40.988   6.447
   21    HB2  SER   5           1HB      SER   5   6.027 -40.839   7.287
   22    HB3  SER   5           2HB      SER   5   6.048 -40.881   5.522
   23    HG   SER   5           HG       SER   5   6.380 -38.633   5.515
   24    H    SER   6           H        SER   6   3.275 -37.635   6.509
   25    HA   SER   6           HA       SER   6   2.641 -37.722   9.411
   26    HB2  SER   6           1HB      SER   6   3.517 -35.447   9.703
   27    HB3  SER   6           2HB      SER   6   4.782 -36.608   9.267
   28    HG   SER   6           HG       SER   6   4.965 -34.658   8.074
   29    H    GLY   7           H        GLY   7   1.032 -36.316  10.123
   30    HA2  GLY   7           1HA      GLY   7  -1.069 -35.669   8.126
   31    HA3  GLY   7           2HA      GLY   7  -1.245 -35.790   9.870
   32    H    LYS   8           H        LYS   8  -2.424 -33.854   9.792
   33    HA   LYS   8           HA       LYS   8  -2.836 -31.639  10.026
   34    HB2  LYS   8           1HB      LYS   8  -0.030 -31.663  11.148
   35    HB3  LYS   8           2HB      LYS   8  -1.199 -30.352  11.345
   36    HG2  LYS   8           1HG      LYS   8  -2.775 -31.884  12.478
   37    HG3  LYS   8           2HG      LYS   8  -1.607 -33.210  12.318
   38    HD2  LYS   8           1HD      LYS   8   0.033 -31.950  13.676
   39    HD3  LYS   8           2HD      LYS   8  -1.115 -30.603  13.824
   40    HE2  LYS   8           1HE      LYS   8  -2.741 -32.122  14.943
   41    HE3  LYS   8           2HE      LYS   8  -1.584 -33.453  14.811
   42    HZ1  LYS   8           3HZ      LYS   8  -1.125 -30.944  16.341
   43    HZ2  LYS   8           1HZ      LYS   8  -0.057 -32.178  16.223
   44    HZ3  LYS   8           2HZ      LYS   8  -1.477 -32.396  16.997
   45    HA   PRO   9           HA       PRO   9  -0.722 -30.556   5.982
   46    HB2  PRO   9           1HB      PRO   9  -3.077 -30.107   4.558
   47    HB3  PRO   9           2HB      PRO   9  -2.229 -31.662   4.713
   48    HG2  PRO   9           1HG      PRO   9  -4.590 -30.740   6.298
   49    HG3  PRO   9           2HG      PRO   9  -4.333 -32.317   5.497
   50    HD2  PRO   9           1HD      PRO   9  -3.838 -31.981   8.135
   51    HD3  PRO   9           2HD      PRO   9  -2.762 -32.989   7.129
   52    H    TYR  10           H        TYR  10  -3.347 -28.944   7.757
   53    HA   TYR  10           HA       TYR  10  -2.966 -26.424   6.336
   54    HB2  TYR  10           1HB      TYR  10  -4.665 -27.139   8.739
   55    HB3  TYR  10           2HB      TYR  10  -4.723 -25.618   7.852
   56    HD1  TYR  10           1HD      TYR  10  -5.494 -29.233   7.742
   57    HD2  TYR  10           2HD      TYR  10  -5.704 -25.511   5.583
   58    HE1  TYR  10           1HE      TYR  10  -7.183 -30.222   6.224
   59    HE2  TYR  10           2HE      TYR  10  -7.357 -26.529   4.008
   60    HH   TYR  10           HH       TYR  10  -8.591 -28.385   3.477
   61    H    LYS  11           H        LYS  11  -1.111 -25.383   6.728
   62    HA   LYS  11           HA       LYS  11   0.034 -25.157   9.483
   63    HB2  LYS  11           1HB      LYS  11   1.193 -24.917   6.696
   64    HB3  LYS  11           2HB      LYS  11   1.957 -24.076   8.032
   65    HG2  LYS  11           1HG      LYS  11   3.101 -26.109   7.744
   66    HG3  LYS  11           2HG      LYS  11   2.235 -26.180   9.277
   67    HD2  LYS  11           1HD      LYS  11   0.497 -27.602   8.246
   68    HD3  LYS  11           2HD      LYS  11   1.309 -27.499   6.679
   69    HE2  LYS  11           1HE      LYS  11   2.529 -28.682   9.219
   70    HE3  LYS  11           2HE      LYS  11   1.706 -29.626   7.977
   71    HZ1  LYS  11           3HZ      LYS  11   4.087 -29.662   7.616
   72    HZ2  LYS  11           1HZ      LYS  11   4.177 -28.038   7.531
   73    HZ3  LYS  11           2HZ      LYS  11   3.385 -28.877   6.371
   74    H    CYS  12           H        CYS  12   0.658 -23.233  10.407
   75    HA   CYS  12           HA       CYS  12  -0.807 -20.830   9.673
   76    HB2  CYS  12           1HB      CYS  12  -0.545 -21.516  11.961
   77    HB3  CYS  12           2HB      CYS  12   1.218 -21.482  11.815
   78    HA   PRO  13           HA       PRO  13   2.663 -19.258   7.211
   79    HB2  PRO  13           1HB      PRO  13   1.688 -16.802   6.578
   80    HB3  PRO  13           2HB      PRO  13   0.975 -18.305   5.918
   81    HG2  PRO  13           1HG      PRO  13   0.008 -16.643   8.257
   82    HG3  PRO  13           2HG      PRO  13  -0.951 -17.321   6.906
   83    HD2  PRO  13           1HD      PRO  13  -0.677 -18.542   9.391
   84    HD3  PRO  13           2HD      PRO  13  -0.982 -19.447   7.881
   85    H    GLN  14           H        GLN  14   1.683 -18.179  10.335
   86    HA   GLN  14           HA       GLN  14   3.884 -16.159  10.492
   87    HB2  GLN  14           1HB      GLN  14   1.410 -16.360  12.235
   88    HB3  GLN  14           2HB      GLN  14   2.633 -15.098  12.233
   89    HG2  GLN  14           1HG      GLN  14   1.900 -15.018   9.601
   90    HG3  GLN  14           2HG      GLN  14   0.418 -15.668  10.297
   91   HE21  GLN  14          1HE2      GLN  14  -0.759 -13.713   9.684
   92   HE22  GLN  14          2HE2      GLN  14  -0.493 -12.226  10.585
   93    H    CYS  15           H        CYS  15   2.715 -19.164  11.985
   94    HA   CYS  15           HA       CYS  15   5.282 -19.244  13.466
   95    HB2  CYS  15           1HB      CYS  15   4.310 -19.746  15.585
   96    HB3  CYS  15           2HB      CYS  15   3.641 -18.226  15.011
   97    H    SER  16           H        SER  16   5.284 -21.473  14.768
   98    HA   SER  16           HA       SER  16   5.520 -23.490  12.741
   99    HB2  SER  16           1HB      SER  16   5.733 -23.780  15.758
  100    HB3  SER  16           2HB      SER  16   6.371 -24.898  14.538
  101    HG   SER  16           HG       SER  16   7.985 -23.463  15.325
  102    H    TYR  17           H        TYR  17   2.683 -22.558  14.144
  103    HA   TYR  17           HA       TYR  17   1.440 -24.950  15.018
  104    HB2  TYR  17           1HB      TYR  17   0.602 -22.745  15.520
  105    HB3  TYR  17           2HB      TYR  17   0.334 -22.392  13.825
  106    HD1  TYR  17           1HD      TYR  17  -0.759 -24.453  16.733
  107    HD2  TYR  17           2HD      TYR  17  -1.748 -23.170  12.731
  108    HE1  TYR  17           1HE      TYR  17  -3.098 -25.261  17.039
  109    HE2  TYR  17           2HE      TYR  17  -4.090 -23.948  13.056
  110    HH   TYR  17           HH       TYR  17  -5.629 -24.655  14.612
  111    H    ALA  18           H        ALA  18   0.110 -26.416  14.120
  112    HA   ALA  18           HA       ALA  18  -0.777 -26.218  11.371
  113    HB1  ALA  18           1HB      ALA  18   0.848 -28.649  12.239
  114    HB2  ALA  18           2HB      ALA  18   0.064 -28.398  10.663
  115    HB3  ALA  18           3HB      ALA  18   1.429 -27.377  11.146
  116    H    SER  19           H        SER  19  -2.580 -27.574  10.906
  117    HA   SER  19           HA       SER  19  -3.586 -29.413  12.982
  118    HB2  SER  19           1HB      SER  19  -4.542 -27.085  13.440
  119    HB3  SER  19           2HB      SER  19  -5.437 -27.259  11.919
  120    HG   SER  19           HG       SER  19  -5.566 -28.840  14.289
  121    H    ALA  20           H        ALA  20  -5.600 -30.546  12.217
  122    HA   ALA  20           HA       ALA  20  -5.234 -31.462   9.437
  123    HB1  ALA  20           1HB      ALA  20  -5.207 -33.090  11.285
  124    HB2  ALA  20           2HB      ALA  20  -6.868 -32.617  11.721
  125    HB3  ALA  20           3HB      ALA  20  -6.539 -33.395  10.158
  126    H    ILE  21           H        ILE  21  -7.026 -29.037  10.708
  127    HA   ILE  21           HA       ILE  21  -9.318 -29.397   8.819
  128    HB   ILE  21           HB       ILE  21  -9.457 -28.478  11.710
  129   HG12  ILE  21          1HG1      ILE  21 -10.391 -31.079  10.416
  130   HG13  ILE  21          2HG1      ILE  21  -9.127 -30.899  11.634
  131   HG21  ILE  21          1HG2      ILE  21 -11.108 -27.329  10.290
  132   HG22  ILE  21          2HG2      ILE  21 -11.726 -28.897   9.722
  133   HG23  ILE  21          3HG2      ILE  21 -11.884 -28.393  11.424
  134   HD11  ILE  21          3HD1      ILE  21 -12.105 -30.563  12.065
  135   HD12  ILE  21          1HD1      ILE  21 -11.020 -31.784  12.738
  136   HD13  ILE  21          2HD1      ILE  21 -10.870 -30.095  13.262
  137    H    LYS  22           H        LYS  22  -9.851 -27.613   7.670
  138    HA   LYS  22           HA       LYS  22  -8.212 -25.285   7.572
  139    HB2  LYS  22           1HB      LYS  22  -9.591 -26.202   5.712
  140    HB3  LYS  22           2HB      LYS  22 -11.057 -25.742   6.563
  141    HG2  LYS  22           1HG      LYS  22 -10.584 -24.192   4.781
  142    HG3  LYS  22           2HG      LYS  22 -10.483 -23.353   6.326
  143    HD2  LYS  22           1HD      LYS  22  -8.043 -23.323   6.223
  144    HD3  LYS  22           2HD      LYS  22  -8.052 -24.411   4.818
  145    HE2  LYS  22           1HE      LYS  22  -9.260 -22.706   3.486
  146    HE3  LYS  22           2HE      LYS  22  -9.230 -21.598   4.858
  147    HZ1  LYS  22           3HZ      LYS  22  -6.786 -21.616   4.729
  148    HZ2  LYS  22           1HZ      LYS  22  -7.422 -21.143   3.305
  149    HZ3  LYS  22           2HZ      LYS  22  -6.824 -22.650   3.459
  150    H    ALA  23           H        ALA  23 -11.415 -25.711   9.133
  151    HA   ALA  23           HA       ALA  23 -11.698 -23.078  10.139
  152    HB1  ALA  23           1HB      ALA  23 -13.311 -24.088  11.688
  153    HB2  ALA  23           2HB      ALA  23 -13.498 -24.767  10.063
  154    HB3  ALA  23           3HB      ALA  23 -12.681 -25.708  11.334
  155    H    ASN  24           H        ASN  24  -9.837 -25.821  11.499
  156    HA   ASN  24           HA       ASN  24  -9.192 -24.482  13.986
  157    HB2  ASN  24           1HB      ASN  24  -7.944 -26.856  12.520
  158    HB3  ASN  24           2HB      ASN  24  -7.379 -26.273  14.063
  159   HD21  ASN  24          1HD2      ASN  24  -7.898 -28.719  14.191
  160   HD22  ASN  24          2HD2      ASN  24  -9.446 -29.056  14.977
  161    H    LEU  25           H        LEU  25  -7.825 -24.253  10.764
  162    HA   LEU  25           HA       LEU  25  -5.521 -22.703  11.735
  163    HB2  LEU  25           1HB      LEU  25  -5.300 -24.044   9.721
  164    HB3  LEU  25           2HB      LEU  25  -6.621 -23.167   8.945
  165    HG   LEU  25           HG       LEU  25  -5.302 -21.086   8.976
  166   HD11  LEU  25          1HD1      LEU  25  -3.873 -21.424  10.958
  167   HD12  LEU  25          2HD1      LEU  25  -2.907 -21.131   9.519
  168   HD13  LEU  25          3HD1      LEU  25  -3.058 -22.787  10.151
  169   HD21  LEU  25          3HD2      LEU  25  -3.741 -23.420   7.808
  170   HD22  LEU  25          1HD2      LEU  25  -3.666 -21.726   7.289
  171   HD23  LEU  25          2HD2      LEU  25  -5.160 -22.653   7.056
  172    H    ASN  26           H        ASN  26  -8.751 -21.977  10.347
  173    HA   ASN  26           HA       ASN  26  -8.371 -19.124  10.200
  174    HB2  ASN  26           1HB      ASN  26 -10.875 -20.845  10.425
  175    HB3  ASN  26           2HB      ASN  26 -10.938 -19.086  10.385
  176   HD21  ASN  26          1HD2      ASN  26  -9.604 -21.841   8.538
  177   HD22  ASN  26          2HD2      ASN  26  -9.839 -21.041   6.975
  178    H    VAL  27           H        VAL  27  -9.708 -21.152  12.849
  179    HA   VAL  27           HA       VAL  27 -10.211 -19.028  14.651
  180    HB   VAL  27           HB       VAL  27 -10.925 -21.410  14.813
  181   HG11  VAL  27          1HG1      VAL  27  -8.325 -21.935  16.224
  182   HG12  VAL  27          2HG1      VAL  27  -9.688 -23.047  15.957
  183   HG13  VAL  27          3HG1      VAL  27  -8.765 -22.438  14.572
  184   HG21  VAL  27          3HG2      VAL  27 -11.128 -21.344  17.255
  185   HG22  VAL  27          1HG2      VAL  27  -9.807 -20.156  17.354
  186   HG23  VAL  27          2HG2      VAL  27 -11.340 -19.715  16.583
  187    H    HIS  28           H        HIS  28  -7.251 -20.686  13.854
  188    HA   HIS  28           HA       HIS  28  -5.775 -19.810  16.158
  189    HB2  HIS  28           1HB      HIS  28  -5.319 -21.892  15.075
  190    HB3  HIS  28           2HB      HIS  28  -5.009 -21.121  13.525
  191    HD1  HIS  28           1HD      HIS  28  -3.180 -21.632  16.843
  192    HD2  HIS  28           2HD      HIS  28  -2.738 -19.827  13.076
  193    HE1  HIS  28           1HE      HIS  28  -0.780 -20.795  16.747
  194    H    LEU  29           H        LEU  29  -5.965 -18.699  12.763
  195    HA   LEU  29           HA       LEU  29  -3.893 -16.743  12.864
  196    HB2  LEU  29           1HB      LEU  29  -6.449 -16.902  11.234
  197    HB3  LEU  29           2HB      LEU  29  -5.167 -15.745  10.900
  198    HG   LEU  29           HG       LEU  29  -4.700 -18.746  10.867
  199   HD11  LEU  29          1HD1      LEU  29  -6.421 -18.161   9.195
  200   HD12  LEU  29          2HD1      LEU  29  -4.898 -18.605   8.413
  201   HD13  LEU  29          3HD1      LEU  29  -5.361 -16.892   8.541
  202   HD21  LEU  29          3HD2      LEU  29  -2.801 -18.143   9.423
  203   HD22  LEU  29          1HD2      LEU  29  -2.633 -17.494  11.053
  204   HD23  LEU  29          2HD2      LEU  29  -3.120 -16.421   9.715
  205    H    ARG  30           H        ARG  30  -7.088 -16.623  14.193
  206    HA   ARG  30           HA       ARG  30  -7.695 -13.907  14.440
  207    HB2  ARG  30           1HB      ARG  30  -8.009 -16.168  16.461
  208    HB3  ARG  30           2HB      ARG  30  -8.748 -14.597  16.672
  209    HG2  ARG  30           1HG      ARG  30 -10.021 -14.827  14.589
  210    HG3  ARG  30           2HG      ARG  30  -9.263 -16.390  14.278
  211    HD2  ARG  30           1HD      ARG  30 -11.510 -16.695  15.161
  212    HD3  ARG  30           2HD      ARG  30 -10.317 -17.360  16.262
  213    HE   ARG  30           HE       ARG  30 -11.945 -14.889  16.652
  214   HH11  ARG  30          2HH1      ARG  30  -9.696 -17.163  18.102
  215   HH12  ARG  30          1HH1      ARG  30 -10.024 -16.587  19.715
  216   HH21  ARG  30          2HH2      ARG  30 -12.297 -14.205  18.729
  217   HH22  ARG  30          1HH2      ARG  30 -11.450 -14.951  20.052
  218    H    LYS  31           H        LYS  31  -5.329 -15.694  16.401
  219    HA   LYS  31           HA       LYS  31  -4.790 -13.463  18.196
  220    HB2  LYS  31           1HB      LYS  31  -3.318 -14.865  19.286
  221    HB3  LYS  31           2HB      LYS  31  -4.543 -15.954  18.639
  222    HG2  LYS  31           1HG      LYS  31  -2.896 -16.445  16.717
  223    HG3  LYS  31           2HG      LYS  31  -1.714 -15.483  17.597
  224    HD2  LYS  31           1HD      LYS  31  -1.286 -17.775  18.119
  225    HD3  LYS  31           2HD      LYS  31  -1.950 -16.999  19.562
  226    HE2  LYS  31           1HE      LYS  31  -4.233 -17.941  18.886
  227    HE3  LYS  31           2HE      LYS  31  -3.413 -18.833  17.601
  228    HZ1  LYS  31           3HZ      LYS  31  -3.677 -20.184  19.621
  229    HZ2  LYS  31           1HZ      LYS  31  -2.873 -19.097  20.522
  230    HZ3  LYS  31           2HZ      LYS  31  -2.079 -19.931  19.368
  231    H    HIS  32           H        HIS  32  -3.625 -14.254  15.104
  232    HA   HIS  32           HA       HIS  32  -1.165 -12.622  15.266
  233    HB2  HIS  32           1HB      HIS  32  -2.348 -14.325  13.037
  234    HB3  HIS  32           2HB      HIS  32  -0.816 -13.498  12.983
  235    HD1  HIS  32           1HD      HIS  32   0.520 -14.373  15.699
  236    HD2  HIS  32           2HD      HIS  32  -1.672 -16.816  13.082
  237    HE1  HIS  32           1HE      HIS  32   1.315 -16.739  16.144
  238    H    THR  33           H        THR  33  -4.271 -11.693  14.933
  239    HA   THR  33           HA       THR  33  -4.193 -10.241  12.440
  240    HB   THR  33           HB       THR  33  -6.336  -9.241  13.176
  241    HG1  THR  33           1HG      THR  33  -6.344 -11.019  15.349
  242   HG21  THR  33          3HG2      THR  33  -6.077 -12.259  13.423
  243   HG22  THR  33          1HG2      THR  33  -6.258 -11.332  11.932
  244   HG23  THR  33          2HG2      THR  33  -7.589 -11.363  13.108
  245    H    GLY  34           H        GLY  34  -4.651  -7.959  12.180
  246    HA2  GLY  34           1HA      GLY  34  -3.666  -5.974  14.027
  247    HA3  GLY  34           2HA      GLY  34  -2.430  -6.489  12.867
  248    H    GLU  35           H        GLU  35  -2.698  -4.070  12.387
  249    HA   GLU  35           HA       GLU  35  -5.017  -3.199  10.877
  250    HB2  GLU  35           1HB      GLU  35  -3.598  -1.683  12.202
  251    HB3  GLU  35           2HB      GLU  35  -2.251  -1.968  11.096
  252    HG2  GLU  35           1HG      GLU  35  -3.442  -0.912   9.263
  253    HG3  GLU  35           2HG      GLU  35  -4.941  -0.863  10.193
  254    H    LYS  36           H        LYS  36  -5.355  -2.900   8.720
  255    HA   LYS  36           HA       LYS  36  -3.839  -4.676   6.933
  256    HB2  LYS  36           1HB      LYS  36  -6.262  -2.885   6.457
  257    HB3  LYS  36           2HB      LYS  36  -5.423  -3.798   5.190
  258    HG2  LYS  36           1HG      LYS  36  -5.761  -5.881   6.614
  259    HG3  LYS  36           2HG      LYS  36  -6.881  -4.939   7.606
  260    HD2  LYS  36           1HD      LYS  36  -8.334  -4.543   5.692
  261    HD3  LYS  36           2HD      LYS  36  -7.134  -5.241   4.576
  262    HE2  LYS  36           1HE      LYS  36  -7.344  -7.431   5.610
  263    HE3  LYS  36           2HE      LYS  36  -8.463  -6.798   6.831
  264    HZ1  LYS  36           3HZ      LYS  36 -10.035  -6.302   5.033
  265    HZ2  LYS  36           1HZ      LYS  36  -9.657  -7.888   5.017
  266    HZ3  LYS  36           2HZ      LYS  36  -9.004  -6.888   3.907
  267    H    PHE  37           H        PHE  37  -2.017  -4.167   6.309
  268    HA   PHE  37           HA       PHE  37  -1.412  -1.439   5.253
  269    HB2  PHE  37           1HB      PHE  37   0.515  -3.741   5.639
  270    HB3  PHE  37           2HB      PHE  37   0.870  -2.032   5.349
  271    HD1  PHE  37           2HD      PHE  37   0.238  -0.318   7.143
  272    HD2  PHE  37           1HD      PHE  37   0.247  -4.576   7.836
  273    HE1  PHE  37           2HE      PHE  37   0.352   0.077   9.589
  274    HE2  PHE  37           1HE      PHE  37   0.297  -4.180  10.274
  275    HZ   PHE  37           HZ       PHE  37   0.367  -1.846  11.161
  276    H    ALA  38           H        ALA  38  -1.791  -1.144   3.175
  277    HA   ALA  38           HA       ALA  38  -1.736  -3.360   1.221
  278    HB1  ALA  38           1HB      ALA  38  -2.593  -1.694  -0.347
  279    HB2  ALA  38           2HB      ALA  38  -3.569  -1.690   1.135
  280    HB3  ALA  38           3HB      ALA  38  -2.369  -0.406   0.853
  281    H    CYS  39           H        CYS  39  -0.306  -3.559  -0.503
  282    HA   CYS  39           HA       CYS  39   2.345  -2.472  -0.230
  283    HB2  CYS  39           1HB      CYS  39   1.840  -4.630  -1.141
  284    HB3  CYS  39           2HB      CYS  39   0.848  -3.941  -2.419
  285    H    ASP  40           H        ASP  40   3.387  -0.917  -1.318
  286    HA   ASP  40           HA       ASP  40   1.783   1.307  -2.389
  287    HB2  ASP  40           1HB      ASP  40   3.698   1.586  -0.771
  288    HB3  ASP  40           2HB      ASP  40   4.795   1.084  -2.055
  289    H    TYR  41           H        TYR  41   3.001  -1.506  -3.703
  290    HA   TYR  41           HA       TYR  41   3.592  -0.288  -6.389
  291    HB2  TYR  41           1HB      TYR  41   4.793  -2.739  -5.060
  292    HB3  TYR  41           2HB      TYR  41   5.143  -2.156  -6.670
  293    HD1  TYR  41           1HD      TYR  41   6.538  -0.107  -6.959
  294    HD2  TYR  41           2HD      TYR  41   5.542  -1.641  -3.065
  295    HE1  TYR  41           1HE      TYR  41   8.348   1.295  -5.952
  296    HE2  TYR  41           2HE      TYR  41   7.338  -0.222  -2.045
  297    HH   TYR  41           HH       TYR  41   9.013   1.296  -2.431
  298    H    CYS  42           H        CYS  42   1.841  -2.829  -4.702
  299    HA   CYS  42           HA       CYS  42   0.260  -3.237  -7.169
  300    HB2  CYS  42           1HB      CYS  42   0.216  -5.660  -6.989
  301    HB3  CYS  42           2HB      CYS  42   1.859  -5.071  -7.254
  302    H    SER  43           H        SER  43  -1.600  -4.945  -6.525
  303    HA   SER  43           HA       SER  43  -3.279  -3.577  -4.581
  304    HB2  SER  43           1HB      SER  43  -4.990  -5.205  -5.356
  305    HB3  SER  43           2HB      SER  43  -4.230  -4.295  -6.669
  306    HG   SER  43           HG       SER  43  -4.383  -6.551  -7.132
  307    H    PHE  44           H        PHE  44  -0.862  -5.720  -3.964
  308    HA   PHE  44           HA       PHE  44  -2.003  -7.707  -2.322
  309    HB2  PHE  44           1HB      PHE  44   0.250  -7.769  -3.101
  310    HB3  PHE  44           2HB      PHE  44   0.688  -6.333  -2.201
  311    HD1  PHE  44           2HD      PHE  44  -0.323  -9.921  -1.845
  312    HD2  PHE  44           1HD      PHE  44   1.456  -6.482   0.048
  313    HE1  PHE  44           2HE      PHE  44   0.434 -11.346   0.048
  314    HE2  PHE  44           1HE      PHE  44   2.234  -7.911   1.923
  315    HZ   PHE  44           HZ       PHE  44   1.715 -10.343   1.932
  316    H    THR  45           H        THR  45  -2.220  -7.914  -0.108
  317    HA   THR  45           HA       THR  45  -1.911  -5.589   1.670
  318    HB   THR  45           HB       THR  45  -4.105  -6.024   2.736
  319    HG1  THR  45           1HG      THR  45  -5.690  -7.070   1.470
  320   HG21  THR  45          3HG2      THR  45  -4.255  -5.112  -0.156
  321   HG22  THR  45          1HG2      THR  45  -3.814  -4.133   1.265
  322   HG23  THR  45          2HG2      THR  45  -5.457  -4.778   1.118
  323    H    CYS  46           H        CYS  46  -1.735  -6.049   3.833
  324    HA   CYS  46           HA       CYS  46  -1.647  -8.870   4.731
  325    HB2  CYS  46           1HB      CYS  46   0.568  -8.288   3.648
  326    HB3  CYS  46           2HB      CYS  46   0.817  -7.081   4.922
  327    HG   CYS  46           HG       CYS  46   2.210  -9.303   5.352
  328    H    LEU  47           H        LEU  47  -1.516  -9.143   6.994
  329    HA   LEU  47           HA       LEU  47  -2.555  -6.894   8.616
  330    HB2  LEU  47           1HB      LEU  47  -2.147  -9.810   9.371
  331    HB3  LEU  47           2HB      LEU  47  -3.031  -8.594  10.286
  332    HG   LEU  47           HG       LEU  47  -3.836  -9.791   7.602
  333   HD11  LEU  47          1HD1      LEU  47  -5.175  -9.895  10.330
  334   HD12  LEU  47          2HD1      LEU  47  -4.194 -11.204   9.625
  335   HD13  LEU  47          3HD1      LEU  47  -5.707 -10.712   8.848
  336   HD21  LEU  47          3HD2      LEU  47  -5.240  -7.640   9.246
  337   HD22  LEU  47          1HD2      LEU  47  -5.934  -8.490   7.847
  338   HD23  LEU  47          2HD2      LEU  47  -4.526  -7.443   7.633
  339    H    SER  48           H        SER  48   0.488  -7.930   7.816
  340    HA   SER  48           HA       SER  48   1.693  -6.927  10.360
  341    HB2  SER  48           1HB      SER  48   2.061  -9.272  10.400
  342    HB3  SER  48           2HB      SER  48   2.531  -9.302   8.693
  343    HG   SER  48           HG       SER  48   4.287  -9.308  10.318
  344    H    LYS  49           H        LYS  49   3.000  -5.322  10.150
  345    HA   LYS  49           HA       LYS  49   3.626  -4.054   7.639
  346    HB2  LYS  49           1HB      LYS  49   3.203  -3.009   9.926
  347    HB3  LYS  49           2HB      LYS  49   4.790  -3.573  10.425
  348    HG2  LYS  49           1HG      LYS  49   4.748  -1.215   9.838
  349    HG3  LYS  49           2HG      LYS  49   5.862  -2.097   8.785
  350    HD2  LYS  49           1HD      LYS  49   4.453  -1.881   6.902
  351    HD3  LYS  49           2HD      LYS  49   3.006  -1.589   7.892
  352    HE2  LYS  49           1HE      LYS  49   3.809   0.578   8.589
  353    HE3  LYS  49           2HE      LYS  49   5.362   0.331   7.772
  354    HZ1  LYS  49           3HZ      LYS  49   4.170   0.309   5.647
  355    HZ2  LYS  49           1HZ      LYS  49   3.870   1.702   6.438
  356    HZ3  LYS  49           2HZ      LYS  49   2.731   0.537   6.399
  357    H    GLY  50           H        GLY  50   5.411  -6.221   9.778
  358    HA2  GLY  50           1HA      GLY  50   8.004  -6.008   8.502
  359    HA3  GLY  50           2HA      GLY  50   7.440  -7.305   9.565
  360    H    HIS  51           H        HIS  51   5.239  -8.316   8.115
  361    HA   HIS  51           HA       HIS  51   6.555  -9.824   6.018
  362    HB2  HIS  51           1HB      HIS  51   3.626  -9.575   6.734
  363    HB3  HIS  51           2HB      HIS  51   4.300 -10.761   5.617
  364    HD1  HIS  51           1HD      HIS  51   2.761 -11.739   8.203
  365    HD2  HIS  51           2HD      HIS  51   6.922 -11.217   7.841
  366    HE1  HIS  51           1HE      HIS  51   3.829 -13.197  10.005
  367    H    LEU  52           H        LEU  52   4.407  -6.937   5.927
  368    HA   LEU  52           HA       LEU  52   4.286  -6.843   3.068
  369    HB2  LEU  52           1HB      LEU  52   2.751  -5.562   4.489
  370    HB3  LEU  52           2HB      LEU  52   4.099  -4.610   5.123
  371    HG   LEU  52           HG       LEU  52   4.536  -3.685   2.851
  372   HD11  LEU  52          1HD1      LEU  52   2.027  -5.233   2.055
  373   HD12  LEU  52          2HD1      LEU  52   3.675  -5.533   1.443
  374   HD13  LEU  52          3HD1      LEU  52   2.871  -4.026   1.064
  375   HD21  LEU  52          3HD2      LEU  52   2.967  -2.570   4.446
  376   HD22  LEU  52          1HD2      LEU  52   1.627  -3.387   3.597
  377   HD23  LEU  52          2HD2      LEU  52   2.648  -2.222   2.734
  378    H    LYS  53           H        LYS  53   6.739  -5.489   5.368
  379    HA   LYS  53           HA       LYS  53   8.363  -4.202   3.396
  380    HB2  LYS  53           1HB      LYS  53   8.781  -3.664   5.631
  381    HB3  LYS  53           2HB      LYS  53   8.761  -5.341   6.166
  382    HG2  LYS  53           1HG      LYS  53  10.894  -5.788   5.067
  383    HG3  LYS  53           2HG      LYS  53  10.958  -4.122   4.452
  384    HD2  LYS  53           1HD      LYS  53  11.147  -3.239   6.703
  385    HD3  LYS  53           2HD      LYS  53  10.747  -4.826   7.420
  386    HE2  LYS  53           1HE      LYS  53  12.721  -5.828   6.433
  387    HE3  LYS  53           2HE      LYS  53  13.155  -4.302   5.647
  388    HZ1  LYS  53           3HZ      LYS  53  13.042  -4.728   8.594
  389    HZ2  LYS  53           1HZ      LYS  53  13.436  -3.317   7.870
  390    HZ3  LYS  53           2HZ      LYS  53  14.412  -4.614   7.715
  391    H    VAL  54           H        VAL  54   8.454  -7.591   4.635
  392    HA   VAL  54           HA       VAL  54  10.530  -8.452   2.895
  393    HB   VAL  54           HB       VAL  54   8.255 -10.044   4.133
  394   HG11  VAL  54          1HG1      VAL  54  10.726 -10.996   2.615
  395   HG12  VAL  54          2HG1      VAL  54   9.783 -12.029   3.723
  396   HG13  VAL  54          3HG1      VAL  54   9.019 -11.377   2.278
  397   HG21  VAL  54          3HG2      VAL  54  11.209  -9.792   4.831
  398   HG22  VAL  54          1HG2      VAL  54   9.888  -8.984   5.697
  399   HG23  VAL  54          2HG2      VAL  54   9.986 -10.749   5.706
  400    H    HIS  55           H        HIS  55   6.975  -8.457   2.300
  401    HA   HIS  55           HA       HIS  55   7.014  -9.564  -0.271
  402    HB2  HIS  55           1HB      HIS  55   4.912  -9.178   0.817
  403    HB3  HIS  55           2HB      HIS  55   5.221  -7.459   0.987
  404    HD1  HIS  55           1HD      HIS  55   4.168  -9.968  -1.714
  405    HD2  HIS  55           2HD      HIS  55   4.561  -5.839  -1.017
  406    HE1  HIS  55           1HE      HIS  55   3.108  -8.821  -3.712
  407    H    ILE  56           H        ILE  56   7.529  -6.087   0.576
  408    HA   ILE  56           HA       ILE  56   7.947  -5.335  -2.205
  409    HB   ILE  56           HB       ILE  56   8.587  -3.915   0.392
  410   HG12  ILE  56          1HG1      ILE  56   6.305  -3.398  -1.567
  411   HG13  ILE  56          2HG1      ILE  56   6.131  -4.413  -0.143
  412   HG21  ILE  56          1HG2      ILE  56   8.545  -2.824  -2.466
  413   HG22  ILE  56          2HG2      ILE  56   8.840  -1.873  -0.994
  414   HG23  ILE  56          3HG2      ILE  56  10.008  -3.088  -1.492
  415   HD11  ILE  56          3HD1      ILE  56   5.264  -2.236   0.357
  416   HD12  ILE  56          1HD1      ILE  56   6.716  -2.531   1.332
  417   HD13  ILE  56          2HD1      ILE  56   6.791  -1.454  -0.084
  418    H    GLU  57           H        GLU  57  10.165  -6.189   0.430
  419    HA   GLU  57           HA       GLU  57  12.626  -5.665  -0.968
  420    HB2  GLU  57           1HB      GLU  57  11.866  -7.500   1.321
  421    HB3  GLU  57           2HB      GLU  57  13.526  -7.251   0.842
  422    HG2  GLU  57           1HG      GLU  57  11.835  -4.834   1.546
  423    HG3  GLU  57           2HG      GLU  57  12.458  -5.891   2.804
  424    H    ARG  58           H        ARG  58  10.399  -8.238  -1.306
  425    HA   ARG  58           HA       ARG  58  12.404  -9.854  -2.863
  426    HB2  ARG  58           1HB      ARG  58  11.369 -11.813  -2.284
  427    HB3  ARG  58           2HB      ARG  58  11.221 -10.831  -0.845
  428    HG2  ARG  58           1HG      ARG  58   8.849 -10.266  -1.597
  429    HG3  ARG  58           2HG      ARG  58   9.051 -11.531  -2.833
  430    HD2  ARG  58           1HD      ARG  58   9.598 -13.144  -0.981
  431    HD3  ARG  58           2HD      ARG  58   9.248 -11.842   0.179
  432    HE   ARG  58           HE       ARG  58   7.043 -12.266  -1.649
  433   HH11  ARG  58          2HH1      ARG  58   8.475 -13.719   1.199
  434   HH12  ARG  58          1HH1      ARG  58   6.966 -14.420   1.712
  435   HH21  ARG  58          2HH2      ARG  58   5.153 -13.222  -0.948
  436   HH22  ARG  58          1HH2      ARG  58   5.144 -14.144   0.523
  437    H    VAL  59           H        VAL  59   9.093  -8.543  -3.161
  438    HA   VAL  59           HA       VAL  59   8.956  -9.626  -5.863
  439    HB   VAL  59           HB       VAL  59   6.868  -7.958  -4.412
  440   HG11  VAL  59          1HG1      VAL  59   6.664  -9.689  -6.913
  441   HG12  VAL  59          2HG1      VAL  59   5.306  -8.904  -6.077
  442   HG13  VAL  59          3HG1      VAL  59   6.540  -7.916  -6.854
  443   HG21  VAL  59          3HG2      VAL  59   7.167 -10.042  -3.202
  444   HG22  VAL  59          1HG2      VAL  59   5.696 -10.172  -4.152
  445   HG23  VAL  59          2HG2      VAL  59   7.176 -10.980  -4.715
  446    H    HIS  60           H        HIS  60   8.918  -6.377  -4.355
  447    HA   HIS  60           HA       HIS  60   9.187  -5.082  -7.000
  448    HB2  HIS  60           1HB      HIS  60   8.458  -3.855  -4.359
  449    HB3  HIS  60           2HB      HIS  60   8.334  -3.105  -5.951
  450    HD1  HIS  60           1HD      HIS  60   6.544  -4.608  -7.677
  451    HD2  HIS  60           2HD      HIS  60   6.319  -5.009  -3.501
  452    HE1  HIS  60           1HE      HIS  60   4.257  -5.601  -7.202
  453    H    LYS  61           H        LYS  61  11.395  -6.344  -5.364
  454    HA   LYS  61           HA       LYS  61  13.310  -4.227  -4.827
  455    HB2  LYS  61           1HB      LYS  61  13.316  -6.377  -3.675
  456    HB3  LYS  61           2HB      LYS  61  13.563  -7.242  -5.181
  457    HG2  LYS  61           1HG      LYS  61  15.623  -7.148  -3.909
  458    HG3  LYS  61           2HG      LYS  61  15.804  -6.309  -5.438
  459    HD2  LYS  61           1HD      LYS  61  16.936  -5.203  -3.514
  460    HD3  LYS  61           2HD      LYS  61  15.791  -4.139  -4.337
  461    HE2  LYS  61           1HE      LYS  61  14.115  -4.488  -2.628
  462    HE3  LYS  61           2HE      LYS  61  15.085  -5.756  -1.860
  463    HZ1  LYS  61           3HZ      LYS  61  15.798  -2.871  -1.974
  464    HZ2  LYS  61           1HZ      LYS  61  16.743  -4.042  -1.318
  465    HZ3  LYS  61           2HZ      LYS  61  15.284  -3.711  -0.658
  466    H    LYS  62           H        LYS  62  14.934  -3.488  -6.060
  467    HA   LYS  62           HA       LYS  62  15.789  -2.536  -7.881
  468    HB2  LYS  62           1HB      LYS  62  16.908  -4.847  -7.789
  469    HB3  LYS  62           2HB      LYS  62  15.889  -5.289  -9.163
  470    HG2  LYS  62           1HG      LYS  62  16.880  -3.284 -10.406
  471    HG3  LYS  62           2HG      LYS  62  17.956  -3.041  -9.022
  472    HD2  LYS  62           1HD      LYS  62  18.838  -5.360  -9.345
  473    HD3  LYS  62           2HD      LYS  62  17.815  -5.546 -10.777
  474    HE2  LYS  62           1HE      LYS  62  19.959  -3.406 -10.401
  475    HE3  LYS  62           2HE      LYS  62  20.214  -4.926 -11.256
  476    HZ1  LYS  62           3HZ      LYS  62  18.575  -4.251 -12.893
  477    HZ2  LYS  62           1HZ      LYS  62  19.701  -3.057 -12.743
  478    HZ3  LYS  62           2HZ      LYS  62  18.240  -2.858 -12.080
  479    H    ILE  63           H        ILE  63  13.308  -1.983  -7.828
  480    HA   ILE  63           HA       ILE  63  11.898  -2.411 -10.346
  481    HB   ILE  63           HB       ILE  63  10.732  -2.071  -8.220
  482   HG12  ILE  63          1HG1      ILE  63  10.049   0.047 -10.293
  483   HG13  ILE  63          2HG1      ILE  63   9.642  -1.672 -10.401
  484   HG21  ILE  63          1HG2      ILE  63  12.271  -0.318  -7.264
  485   HG22  ILE  63          2HG2      ILE  63  11.559   0.857  -8.388
  486   HG23  ILE  63          3HG2      ILE  63  10.565   0.086  -7.133
  487   HD11  ILE  63          3HD1      ILE  63   8.321  -1.426  -8.270
  488   HD12  ILE  63          1HD1      ILE  63   8.634   0.332  -8.351
  489   HD13  ILE  63          2HD1      ILE  63   7.709  -0.463  -9.633
  490    H    LYS  64           H        LYS  64  11.510  -0.861 -11.994
  491    HA   LYS  64           HA       LYS  64  13.750   0.866 -12.664
  492    HB2  LYS  64           1HB      LYS  64  11.005   0.645 -13.971
  493    HB3  LYS  64           2HB      LYS  64  12.411   1.503 -14.617
  494    HG2  LYS  64           1HG      LYS  64  13.673  -0.682 -14.654
  495    HG3  LYS  64           2HG      LYS  64  12.215  -1.500 -14.100
  496    HD2  LYS  64           1HD      LYS  64  12.400  -1.817 -16.458
  497    HD3  LYS  64           2HD      LYS  64  11.024  -0.744 -16.162
  498    HE2  LYS  64           1HE      LYS  64  12.386   1.215 -16.784
  499    HE3  LYS  64           2HE      LYS  64  13.825   0.197 -16.937
  500    HZ1  LYS  64           3HZ      LYS  64  11.396  -0.038 -18.638
  501    HZ2  LYS  64           1HZ      LYS  64  12.730  -0.973 -18.768
  502    HZ3  LYS  64           2HZ      LYS  64  12.818   0.619 -19.107
  503    H    GLN  65           H        GLN  65  14.003   2.963 -12.482
  504    HA   GLN  65           HA       GLN  65  11.989   4.628 -11.011
  505    HB2  GLN  65           1HB      GLN  65  15.037   4.778 -11.133
  506    HB3  GLN  65           2HB      GLN  65  14.006   5.953 -10.321
  507    HG2  GLN  65           1HG      GLN  65  14.045   2.991  -9.574
  508    HG3  GLN  65           2HG      GLN  65  15.038   4.222  -8.803
  509   HE21  GLN  65          1HE2      GLN  65  13.885   6.042  -7.647
  510   HE22  GLN  65          2HE2      GLN  65  12.291   5.690  -6.998
  511    H    HIS  66           H        HIS  66  12.150   7.043 -11.587
  512    HA   HIS  66           HA       HIS  66  13.063   7.467 -14.367
  513    HB2  HIS  66           1HB      HIS  66  11.104   8.599 -15.063
  514    HB3  HIS  66           2HB      HIS  66  10.651   7.005 -14.480
  515    HD1  HIS  66           1HD      HIS  66   8.708   7.006 -12.697
  516    HD2  HIS  66           2HD      HIS  66  10.577  10.728 -13.278
  517    HE1  HIS  66           1HE      HIS  66   7.315   8.715 -11.419
  518    H    CYS  67           H        CYS  67  13.638   9.468 -14.997
  519    HA   CYS  67           HA       CYS  67  14.822  11.218 -13.038
  520    HB2  CYS  67           1HB      CYS  67  15.778  10.673 -15.220
  521    HB3  CYS  67           2HB      CYS  67  14.386  11.404 -16.036
  522    H    ARG  68           H        ARG  68  14.133  13.012 -12.121
  523    HA   ARG  68           HA       ARG  68  11.395  13.969 -12.607
  524    HB2  ARG  68           1HB      ARG  68  11.564  15.189 -10.596
  525    HB3  ARG  68           2HB      ARG  68  12.274  13.615 -10.337
  526    HG2  ARG  68           1HG      ARG  68  13.818  14.890  -9.250
  527    HG3  ARG  68           2HG      ARG  68  14.570  14.829 -10.835
  528    HD2  ARG  68           1HD      ARG  68  14.728  17.058  -9.985
  529    HD3  ARG  68           2HD      ARG  68  13.607  17.119 -11.324
  530    HE   ARG  68           HE       ARG  68  12.997  17.313  -8.401
  531   HH11  ARG  68          2HH1      ARG  68  11.626  17.615 -11.643
  532   HH12  ARG  68          1HH1      ARG  68  10.330  18.624 -11.059
  533   HH21  ARG  68          2HH2      ARG  68  11.277  18.524  -7.766
  534   HH22  ARG  68          1HH2      ARG  68  10.115  19.077  -8.935
  535    H    PHE  69           H        PHE  69  14.206  14.648 -14.176
  536    HA   PHE  69           HA       PHE  69  13.436  17.491 -14.748
  537    HB2  PHE  69           1HB      PHE  69  16.027  16.041 -15.271
  538    HB3  PHE  69           2HB      PHE  69  15.716  17.740 -15.563
  539    HD1  PHE  69           2HD      PHE  69  15.518  19.336 -13.651
  540    HD2  PHE  69           1HD      PHE  69  16.576  15.196 -13.069
  541    HE1  PHE  69           2HE      PHE  69  16.466  19.889 -11.423
  542    HE2  PHE  69           1HE      PHE  69  17.526  15.753 -10.842
  543    HZ   PHE  69           HZ       PHE  69  17.492  18.103 -10.026
  544    H    CYS  70           H        CYS  70  14.116  14.361 -16.351
  545    HA   CYS  70           HA       CYS  70  12.968  15.462 -18.870
  546    HB2  CYS  70           1HB      CYS  70  14.603  14.459 -20.225
  547    HB3  CYS  70           2HB      CYS  70  15.370  15.524 -19.053
  548    H    LYS  71           H        LYS  71  12.326  13.256 -16.572
  549    HA   LYS  71           HA       LYS  71  11.117  11.349 -16.399
  550    HB2  LYS  71           1HB      LYS  71   9.773  12.626 -18.795
  551    HB3  LYS  71           2HB      LYS  71   9.103  11.231 -17.966
  552    HG2  LYS  71           1HG      LYS  71   9.741  13.827 -16.505
  553    HG3  LYS  71           2HG      LYS  71   8.189  13.493 -17.277
  554    HD2  LYS  71           1HD      LYS  71   7.841  11.517 -15.866
  555    HD3  LYS  71           2HD      LYS  71   9.417  11.759 -15.090
  556    HE2  LYS  71           1HE      LYS  71   8.713  13.898 -14.168
  557    HE3  LYS  71           2HE      LYS  71   7.180  13.820 -15.045
  558    HZ1  LYS  71           3HZ      LYS  71   6.962  13.110 -12.708
  559    HZ2  LYS  71           1HZ      LYS  71   7.987  11.857 -12.951
  560    HZ3  LYS  71           2HZ      LYS  71   6.552  11.903 -13.724
  561    H    LYS  72           H        LYS  72  13.574  11.092 -18.028
  562    HA   LYS  72           HA       LYS  72  13.219   8.733 -19.676
  563    HB2  LYS  72           1HB      LYS  72  15.176  10.413 -19.665
  564    HB3  LYS  72           2HB      LYS  72  15.711   9.659 -18.179
  565    HG2  LYS  72           1HG      LYS  72  16.025   7.512 -19.296
  566    HG3  LYS  72           2HG      LYS  72  15.264   8.116 -20.780
  567    HD2  LYS  72           1HD      LYS  72  17.095   9.661 -21.180
  568    HD3  LYS  72           2HD      LYS  72  17.819   9.294 -19.606
  569    HE2  LYS  72           1HE      LYS  72  18.013   6.875 -20.342
  570    HE3  LYS  72           2HE      LYS  72  17.487   7.376 -21.956
  571    HZ1  LYS  72           3HZ      LYS  72  19.442   8.862 -22.023
  572    HZ2  LYS  72           1HZ      LYS  72  19.908   7.313 -21.794
  573    HZ3  LYS  72           2HZ      LYS  72  19.902   8.352 -20.533
  574    H    LYS  73           H        LYS  73  13.471   6.553 -19.127
  575    HA   LYS  73           HA       LYS  73  13.130   5.861 -16.250
  576    HB2  LYS  73           1HB      LYS  73  12.366   4.514 -18.823
  577    HB3  LYS  73           2HB      LYS  73  12.945   3.477 -17.542
  578    HG2  LYS  73           1HG      LYS  73  10.818   3.384 -16.931
  579    HG3  LYS  73           2HG      LYS  73  11.200   4.840 -16.034
  580    HD2  LYS  73           1HD      LYS  73   9.867   4.692 -18.779
  581    HD3  LYS  73           2HD      LYS  73   9.049   4.973 -17.234
  582    HE2  LYS  73           1HE      LYS  73  10.395   7.064 -16.929
  583    HE3  LYS  73           2HE      LYS  73  11.120   6.793 -18.519
  584    HZ1  LYS  73           3HZ      LYS  73   8.241   7.284 -18.020
  585    HZ2  LYS  73           1HZ      LYS  73   8.887   6.956 -19.490
  586    HZ3  LYS  73           2HZ      LYS  73   9.321   8.320 -18.700
  587    H    TYR  74           H        TYR  74  14.428   4.606 -15.099
  588    HA   TYR  74           HA       TYR  74  17.016   3.641 -16.242
  589    HB2  TYR  74           1HB      TYR  74  16.508   5.516 -13.927
  590    HB3  TYR  74           2HB      TYR  74  17.893   4.435 -13.893
  591    HD1  TYR  74           1HD      TYR  74  16.349   7.258 -15.808
  592    HD2  TYR  74           2HD      TYR  74  19.811   4.761 -15.229
  593    HE1  TYR  74           1HE      TYR  74  17.595   8.608 -17.493
  594    HE2  TYR  74           2HE      TYR  74  21.059   6.092 -16.927
  595    HH   TYR  74           HH       TYR  74  20.968   7.750 -18.444
  596    H    SER  75           H        SER  75  17.313   1.558 -15.876
  597    HA   SER  75           HA       SER  75  15.646   0.061 -14.018
  598    HB2  SER  75           1HB      SER  75  17.905  -0.886 -15.810
  599    HB3  SER  75           2HB      SER  75  16.689  -1.903 -15.011
  600    HG   SER  75           HG       SER  75  16.180  -1.420 -17.219
  601    H    ASP  76           H        ASP  76  18.524   1.663 -13.529
  602    HA   ASP  76           HA       ASP  76  19.017   0.212 -10.977
  603    HB2  ASP  76           1HB      ASP  76  21.063   0.969 -13.098
  604    HB3  ASP  76           2HB      ASP  76  21.497   0.943 -11.392
  605    H    VAL  77           H        VAL  77  18.656   1.647  -9.365
  606    HA   VAL  77           HA       VAL  77  18.168   4.394  -9.883
  607    HB   VAL  77           HB       VAL  77  17.249   3.107  -7.972
  608   HG11  VAL  77          1HG1      VAL  77  18.442   2.903  -5.880
  609   HG12  VAL  77          2HG1      VAL  77  19.357   2.050  -7.130
  610   HG13  VAL  77          3HG1      VAL  77  19.895   3.652  -6.558
  611   HG21  VAL  77          3HG2      VAL  77  18.623   5.707  -7.176
  612   HG22  VAL  77          1HG2      VAL  77  17.111   5.580  -8.103
  613   HG23  VAL  77          2HG2      VAL  77  17.177   4.990  -6.432
  614    H    LYS  78           H        LYS  78  21.175   2.824  -8.791
  615    HA   LYS  78           HA       LYS  78  22.675   5.192  -8.243
  616    HB2  LYS  78           1HB      LYS  78  23.591   2.483  -9.313
  617    HB3  LYS  78           2HB      LYS  78  24.673   3.761  -8.739
  618    HG2  LYS  78           1HG      LYS  78  23.621   3.669  -6.490
  619    HG3  LYS  78           2HG      LYS  78  22.516   2.416  -7.048
  620    HD2  LYS  78           1HD      LYS  78  24.285   1.353  -5.807
  621    HD3  LYS  78           2HD      LYS  78  24.399   0.896  -7.500
  622    HE2  LYS  78           1HE      LYS  78  26.620   1.269  -6.699
  623    HE3  LYS  78           2HE      LYS  78  26.236   2.575  -7.815
  624    HZ1  LYS  78           3HZ      LYS  78  27.307   3.389  -5.783
  625    HZ2  LYS  78           1HZ      LYS  78  26.126   2.770  -4.846
  626    HZ3  LYS  78           2HZ      LYS  78  25.800   4.003  -5.872
  627    H    ASN  79           H        ASN  79  21.901   3.684 -11.353
  628    HA   ASN  79           HA       ASN  79  23.625   5.551 -12.812
  629    HB2  ASN  79           1HB      ASN  79  21.647   3.413 -13.691
  630    HB3  ASN  79           2HB      ASN  79  22.425   4.505 -14.832
  631   HD21  ASN  79          1HD2      ASN  79  22.724   1.633 -14.816
  632   HD22  ASN  79          2HD2      ASN  79  24.437   1.350 -14.551
  633    H    LEU  80           H        LEU  80  20.235   5.519 -11.780
  634    HA   LEU  80           HA       LEU  80  19.424   7.772 -13.371
  635    HB2  LEU  80           1HB      LEU  80  17.824   6.356 -12.132
  636    HB3  LEU  80           2HB      LEU  80  18.506   6.933 -10.614
  637    HG   LEU  80           HG       LEU  80  17.806   9.239 -11.107
  638   HD11  LEU  80          1HD1      LEU  80  17.801   9.166 -13.595
  639   HD12  LEU  80          2HD1      LEU  80  16.258   9.684 -12.942
  640   HD13  LEU  80          3HD1      LEU  80  16.435   8.023 -13.542
  641   HD21  LEU  80          3HD2      LEU  80  15.430   8.908 -10.776
  642   HD22  LEU  80          1HD2      LEU  80  16.326   7.683  -9.864
  643   HD23  LEU  80          2HD2      LEU  80  15.540   7.250 -11.405
  644    H    ILE  81           H        ILE  81  20.967   7.516 -10.111
  645    HA   ILE  81           HA       ILE  81  21.199  10.310  -9.620
  646    HB   ILE  81           HB       ILE  81  23.235   8.242  -8.740
  647   HG12  ILE  81          1HG1      ILE  81  21.237   7.262  -8.083
  648   HG13  ILE  81          2HG1      ILE  81  21.931   7.976  -6.675
  649   HG21  ILE  81          1HG2      ILE  81  22.349  10.911  -7.586
  650   HG22  ILE  81          2HG2      ILE  81  23.468   9.778  -6.794
  651   HG23  ILE  81          3HG2      ILE  81  23.920  10.529  -8.328
  652   HD11  ILE  81          3HD1      ILE  81  19.522   8.334  -6.665
  653   HD12  ILE  81          1HD1      ILE  81  20.337   9.899  -6.843
  654   HD13  ILE  81          2HD1      ILE  81  19.585   9.115  -8.253
  655    H    LYS  82           H        LYS  82  23.536   8.060 -11.139
  656    HA   LYS  82           HA       LYS  82  25.557   9.907 -11.805
  657    HB2  LYS  82           1HB      LYS  82  25.616   7.401 -11.884
  658    HB3  LYS  82           2HB      LYS  82  24.634   7.448 -13.352
  659    HG2  LYS  82           1HG      LYS  82  26.469   8.720 -14.496
  660    HG3  LYS  82           2HG      LYS  82  27.471   8.515 -13.048
  661    HD2  LYS  82           1HD      LYS  82  26.233   6.246 -14.682
  662    HD3  LYS  82           2HD      LYS  82  27.895   6.815 -14.869
  663    HE2  LYS  82           1HE      LYS  82  28.520   6.089 -12.672
  664    HE3  LYS  82           2HE      LYS  82  26.841   5.809 -12.194
  665    HZ1  LYS  82           3HZ      LYS  82  26.694   3.981 -13.703
  666    HZ2  LYS  82           1HZ      LYS  82  28.018   3.745 -12.782
  667    HZ3  LYS  82           2HZ      LYS  82  28.196   4.254 -14.324
  668    H    HIS  83           H        HIS  83  22.652   9.049 -13.714
  669    HA   HIS  83           HA       HIS  83  23.106  10.814 -15.933
  670    HB2  HIS  83           1HB      HIS  83  21.511   9.065 -16.138
  671    HB3  HIS  83           2HB      HIS  83  20.663   9.524 -14.673
  672    HD1  HIS  83           1HD      HIS  83  21.055  10.759 -18.295
  673    HD2  HIS  83           2HD      HIS  83  18.734  11.281 -14.832
  674    HE1  HIS  83           1HE      HIS  83  19.093  12.205 -19.002
  675    H    ILE  84           H        ILE  84  21.356  11.437 -12.829
  676    HA   ILE  84           HA       ILE  84  20.725  14.167 -13.508
  677    HB   ILE  84           HB       ILE  84  20.967  12.676 -10.890
  678   HG12  ILE  84          1HG1      ILE  84  18.476  13.789 -12.240
  679   HG13  ILE  84          2HG1      ILE  84  19.100  12.188 -12.616
  680   HG21  ILE  84          1HG2      ILE  84  20.049  15.560 -11.313
  681   HG22  ILE  84          2HG2      ILE  84  19.812  14.633  -9.816
  682   HG23  ILE  84          3HG2      ILE  84  21.439  15.022 -10.348
  683   HD11  ILE  84          3HD1      ILE  84  18.946  11.545 -10.224
  684   HD12  ILE  84          1HD1      ILE  84  18.154  13.103  -9.881
  685   HD13  ILE  84          2HD1      ILE  84  17.380  11.935 -10.971
  686    H    ARG  85           H        ARG  85  23.507  12.766 -11.773
  687    HA   ARG  85           HA       ARG  85  24.938  15.216 -11.329
  688    HB2  ARG  85           1HB      ARG  85  25.869  12.323 -11.583
  689    HB3  ARG  85           2HB      ARG  85  26.940  13.659 -11.145
  690    HG2  ARG  85           1HG      ARG  85  25.522  14.195  -9.201
  691    HG3  ARG  85           2HG      ARG  85  24.437  12.866  -9.596
  692    HD2  ARG  85           1HD      ARG  85  25.914  12.118  -7.841
  693    HD3  ARG  85           2HD      ARG  85  26.284  11.243  -9.320
  694    HE   ARG  85           HE       ARG  85  28.391  12.216  -9.400
  695   HH11  ARG  85          2HH1      ARG  85  26.581  13.950  -6.943
  696   HH12  ARG  85          1HH1      ARG  85  27.994  14.799  -6.383
  697   HH21  ARG  85          2HH2      ARG  85  30.139  13.339  -8.635
  698   HH22  ARG  85          1HH2      ARG  85  29.949  14.458  -7.317
  699    H    ASP  86           H        ASP  86  24.676  13.359 -14.260
  700    HA   ASP  86           HA       ASP  86  26.877  14.842 -15.593
  701    HB2  ASP  86           1HB      ASP  86  26.345  12.450 -16.133
  702    HB3  ASP  86           2HB      ASP  86  24.825  12.914 -16.791
  703    H    ALA  87           H        ALA  87  23.392  14.344 -16.125
  704    HA   ALA  87           HA       ALA  87  23.493  16.258 -18.209
  705    HB1  ALA  87           1HB      ALA  87  21.284  15.350 -18.796
  706    HB2  ALA  87           2HB      ALA  87  22.440  14.050 -18.406
  707    HB3  ALA  87           3HB      ALA  87  21.196  14.523 -17.226
  708    H    HIS  88           H        HIS  88  22.207  16.213 -14.954
  709    HA   HIS  88           HA       HIS  88  20.798  18.828 -15.265
  710    HB2  HIS  88           1HB      HIS  88  19.958  16.491 -13.530
  711    HB3  HIS  88           2HB      HIS  88  19.063  17.962 -13.861
  712    HD1  HIS  88           1HD      HIS  88  18.663  18.107 -16.858
  713    HD2  HIS  88           2HD      HIS  88  18.932  14.500 -14.726
  714    HE1  HIS  88           1HE      HIS  88  17.478  16.367 -18.290
  715    H    ASP  89           H        ASP  89  23.543  18.275 -14.295
  716    HA   ASP  89           HA       ASP  89  23.872  17.961 -11.649
  717    HB2  ASP  89           1HB      ASP  89  26.077  18.798 -11.855
  718    HB3  ASP  89           2HB      ASP  89  25.644  17.963 -13.340
  719    HA   PRO  90           HA       PRO  90  22.476  21.767  -9.670
  720    HB2  PRO  90           1HB      PRO  90  23.128  21.226  -7.084
  721    HB3  PRO  90           2HB      PRO  90  21.774  20.411  -7.932
  722    HG2  PRO  90           1HG      PRO  90  24.592  19.382  -7.489
  723    HG3  PRO  90           2HG      PRO  90  23.044  18.511  -7.255
  724    HD2  PRO  90           1HD      PRO  90  24.576  18.275  -9.526
  725    HD3  PRO  90           2HD      PRO  90  22.791  18.155  -9.567
  726    H    GLN  91           H        GLN  91  23.381  23.707  -9.100
  727    HA   GLN  91           HA       GLN  91  26.263  23.885  -8.399
  728    HB2  GLN  91           1HB      GLN  91  24.958  25.488 -10.638
  729    HB3  GLN  91           2HB      GLN  91  26.586  25.732  -9.985
  730    HG2  GLN  91           1HG      GLN  91  27.189  23.404 -10.702
  731    HG3  GLN  91           2HG      GLN  91  25.586  23.233 -11.419
  732   HE21  GLN  91          1HE2      GLN  91  26.982  22.704 -13.334
  733   HE22  GLN  91          2HE2      GLN  91  27.490  24.069 -14.345
  734    H    ASP  92           H        ASP  92  26.562  25.159  -6.733
  735    HA   ASP  92           HA       ASP  92  24.846  27.503  -6.164
  736    HB2  ASP  92           1HB      ASP  92  24.356  26.885  -3.947
  737    HB3  ASP  92           2HB      ASP  92  23.870  25.536  -4.954
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  -5.335 -42.243 -13.571
    2    H2   GLY   1           2H       GLY   1  -6.074 -43.119 -12.398
    3    H3   GLY   1           3H       GLY   1  -4.473 -42.796 -12.290
    4    HA2  GLY   1           1HA      GLY   1  -4.897 -40.436 -12.055
    5    HA3  GLY   1           2HA      GLY   1  -6.630 -40.794 -12.152
    6    H    SER   2           H        SER   2  -6.815 -39.749 -10.069
    7    HA   SER   2           HA       SER   2  -6.516 -41.625  -7.815
    8    HB2  SER   2           1HB      SER   2  -4.421 -40.220  -7.870
    9    HB3  SER   2           2HB      SER   2  -5.435 -38.787  -7.620
   10    HG   SER   2           HG       SER   2  -4.585 -39.680  -5.652
   11    H    SER   3           H        SER   3  -7.781 -40.988  -5.948
   12    HA   SER   3           HA       SER   3  -9.795 -38.876  -6.185
   13    HB2  SER   3           1HB      SER   3 -10.715 -40.821  -7.521
   14    HB3  SER   3           2HB      SER   3 -10.726 -41.770  -6.022
   15    HG   SER   3           HG       SER   3 -12.747 -40.720  -6.477
   16    H    GLY   4           H        GLY   4 -11.172 -38.765  -4.217
   17    HA2  GLY   4           1HA      GLY   4 -10.574 -40.212  -1.817
   18    HA3  GLY   4           2HA      GLY   4  -9.678 -38.693  -1.825
   19    H    SER   5           H        SER   5 -11.305 -38.941   0.187
   20    HA   SER   5           HA       SER   5 -14.038 -38.036  -0.273
   21    HB2  SER   5           1HB      SER   5 -13.267 -39.554   1.590
   22    HB3  SER   5           2HB      SER   5 -12.527 -38.135   2.355
   23    HG   SER   5           HG       SER   5 -14.687 -38.573   3.089
   24    H    SER   6           H        SER   6 -14.945 -36.119   0.802
   25    HA   SER   6           HA       SER   6 -13.204 -33.740   1.038
   26    HB2  SER   6           1HB      SER   6 -14.538 -32.440  -0.548
   27    HB3  SER   6           2HB      SER   6 -13.755 -33.814  -1.341
   28    HG   SER   6           HG       SER   6 -15.948 -33.601  -1.974
   29    H    GLY   7           H        GLY   7 -14.388 -31.809   1.803
   30    HA2  GLY   7           1HA      GLY   7 -16.980 -31.887   2.997
   31    HA3  GLY   7           2HA      GLY   7 -15.771 -32.323   4.208
   32    H    LYS   8           H        LYS   8 -16.588 -30.368   5.268
   33    HA   LYS   8           HA       LYS   8 -16.556 -28.174   5.901
   34    HB2  LYS   8           1HB      LYS   8 -13.720 -28.475   4.895
   35    HB3  LYS   8           2HB      LYS   8 -14.293 -27.133   5.892
   36    HG2  LYS   8           1HG      LYS   8 -14.940 -28.696   7.690
   37    HG3  LYS   8           2HG      LYS   8 -14.373 -30.065   6.718
   38    HD2  LYS   8           1HD      LYS   8 -12.078 -29.124   6.715
   39    HD3  LYS   8           2HD      LYS   8 -12.642 -27.742   7.681
   40    HE2  LYS   8           1HE      LYS   8 -13.339 -29.298   9.492
   41    HE3  LYS   8           2HE      LYS   8 -12.766 -30.670   8.533
   42    HZ1  LYS   8           3HZ      LYS   8 -11.100 -29.962  10.154
   43    HZ2  LYS   8           1HZ      LYS   8 -11.048 -28.456   9.530
   44    HZ3  LYS   8           2HZ      LYS   8 -10.519 -29.728   8.649
   45    HA   PRO   9           HA       PRO   9 -17.365 -26.710   1.519
   46    HB2  PRO   9           1HB      PRO   9 -20.019 -25.929   1.941
   47    HB3  PRO   9           2HB      PRO   9 -19.479 -27.557   1.482
   48    HG2  PRO   9           1HG      PRO   9 -20.149 -26.602   4.238
   49    HG3  PRO   9           2HG      PRO   9 -20.686 -28.096   3.418
   50    HD2  PRO   9           1HD      PRO   9 -18.579 -28.116   5.121
   51    HD3  PRO   9           2HD      PRO   9 -18.547 -29.085   3.622
   52    H    TYR  10           H        TYR  10 -18.003 -25.125   4.621
   53    HA   TYR  10           HA       TYR  10 -18.289 -22.497   3.400
   54    HB2  TYR  10           1HB      TYR  10 -18.060 -23.334   6.300
   55    HB3  TYR  10           2HB      TYR  10 -18.435 -21.716   5.709
   56    HD1  TYR  10           1HD      TYR  10 -20.612 -21.194   4.726
   57    HD2  TYR  10           2HD      TYR  10 -19.674 -25.209   5.967
   58    HE1  TYR  10           1HE      TYR  10 -23.033 -21.799   4.610
   59    HE2  TYR  10           2HE      TYR  10 -22.076 -25.805   5.897
   60    HH   TYR  10           HH       TYR  10 -24.602 -23.444   4.917
   61    H    LYS  11           H        LYS  11 -16.517 -21.893   2.384
   62    HA   LYS  11           HA       LYS  11 -13.794 -21.994   3.597
   63    HB2  LYS  11           1HB      LYS  11 -14.851 -21.514   0.797
   64    HB3  LYS  11           2HB      LYS  11 -13.266 -20.917   1.251
   65    HG2  LYS  11           1HG      LYS  11 -12.936 -22.982   0.185
   66    HG3  LYS  11           2HG      LYS  11 -12.536 -23.184   1.887
   67    HD2  LYS  11           1HD      LYS  11 -14.670 -24.366   2.266
   68    HD3  LYS  11           2HD      LYS  11 -15.148 -24.066   0.576
   69    HE2  LYS  11           1HE      LYS  11 -13.184 -25.346  -0.214
   70    HE3  LYS  11           2HE      LYS  11 -12.689 -25.635   1.464
   71    HZ1  LYS  11           3HZ      LYS  11 -13.874 -27.535   0.576
   72    HZ2  LYS  11           1HZ      LYS  11 -15.191 -26.632   0.226
   73    HZ3  LYS  11           2HZ      LYS  11 -14.735 -26.869   1.794
   74    H    CYS  12           H        CYS  12 -12.481 -20.231   3.932
   75    HA   CYS  12           HA       CYS  12 -13.724 -17.670   4.468
   76    HB2  CYS  12           1HB      CYS  12 -12.065 -18.608   5.910
   77    HB3  CYS  12           2HB      CYS  12 -10.881 -18.675   4.595
   78    HA   PRO  13           HA       PRO  13 -12.713 -16.090   0.330
   79    HB2  PRO  13           1HB      PRO  13 -13.629 -13.538   0.617
   80    HB3  PRO  13           2HB      PRO  13 -14.723 -14.951   0.514
   81    HG2  PRO  13           1HG      PRO  13 -13.828 -13.440   2.970
   82    HG3  PRO  13           2HG      PRO  13 -15.460 -14.040   2.564
   83    HD2  PRO  13           1HD      PRO  13 -13.630 -15.386   4.206
   84    HD3  PRO  13           2HD      PRO  13 -14.954 -16.185   3.312
   85    H    GLN  14           H        GLN  14 -11.212 -15.356   3.293
   86    HA   GLN  14           HA       GLN  14  -9.340 -13.352   2.109
   87    HB2  GLN  14           1HB      GLN  14  -9.851 -13.822   5.054
   88    HB3  GLN  14           2HB      GLN  14  -9.068 -12.454   4.268
   89    HG2  GLN  14           1HG      GLN  14 -11.342 -12.060   3.096
   90    HG3  GLN  14           2HG      GLN  14 -12.009 -13.216   4.254
   91   HE21  GLN  14          1HE2      GLN  14 -10.228 -10.063   4.139
   92   HE22  GLN  14          2HE2      GLN  14 -10.963  -9.501   5.638
   93    H    CYS  15           H        CYS  15  -9.444 -16.493   3.766
   94    HA   CYS  15           HA       CYS  15  -6.602 -16.878   3.021
   95    HB2  CYS  15           1HB      CYS  15  -5.888 -17.562   5.201
   96    HB3  CYS  15           2HB      CYS  15  -6.575 -15.949   5.317
   97    H    SER  16           H        SER  16  -6.004 -19.260   3.957
   98    HA   SER  16           HA       SER  16  -7.469 -21.050   2.247
   99    HB2  SER  16           1HB      SER  16  -5.286 -21.682   4.264
  100    HB3  SER  16           2HB      SER  16  -5.808 -22.704   2.910
  101    HG   SER  16           HG       SER  16  -3.931 -21.486   2.395
  102    H    TYR  17           H        TYR  17  -8.419 -20.089   5.260
  103    HA   TYR  17           HA       TYR  17  -9.024 -22.473   6.673
  104    HB2  TYR  17           1HB      TYR  17  -8.998 -20.275   7.686
  105    HB3  TYR  17           2HB      TYR  17 -10.290 -19.720   6.648
  106    HD1  TYR  17           1HD      TYR  17  -9.408 -21.965   9.489
  107    HD2  TYR  17           2HD      TYR  17 -12.638 -20.202   7.231
  108    HE1  TYR  17           1HE      TYR  17 -11.014 -22.553  11.305
  109    HE2  TYR  17           2HE      TYR  17 -14.222 -20.751   9.061
  110    HH   TYR  17           HH       TYR  17 -14.417 -21.477  11.228
  111    H    ALA  18           H        ALA  18 -10.841 -23.693   6.945
  112    HA   ALA  18           HA       ALA  18 -13.306 -23.098   5.543
  113    HB1  ALA  18           1HB      ALA  18 -11.899 -25.758   5.030
  114    HB2  ALA  18           2HB      ALA  18 -13.495 -25.262   4.428
  115    HB3  ALA  18           3HB      ALA  18 -12.040 -24.434   3.851
  116    H    SER  19           H        SER  19 -15.132 -24.180   6.422
  117    HA   SER  19           HA       SER  19 -14.748 -26.162   8.582
  118    HB2  SER  19           1HB      SER  19 -14.801 -23.824   9.616
  119    HB3  SER  19           2HB      SER  19 -16.491 -23.730   9.084
  120    HG   SER  19           HG       SER  19 -15.265 -25.570  10.888
  121    H    ALA  20           H        ALA  20 -16.849 -27.093   9.308
  122    HA   ALA  20           HA       ALA  20 -18.625 -27.627   7.029
  123    HB1  ALA  20           1HB      ALA  20 -18.467 -28.888   9.788
  124    HB2  ALA  20           2HB      ALA  20 -19.414 -29.486   8.407
  125    HB3  ALA  20           3HB      ALA  20 -17.644 -29.479   8.325
  126    H    ILE  21           H        ILE  21 -18.667 -25.245   9.309
  127    HA   ILE  21           HA       ILE  21 -21.656 -25.117   9.463
  128    HB   ILE  21           HB       ILE  21 -19.652 -24.647  11.697
  129   HG12  ILE  21          1HG1      ILE  21 -21.703 -26.875  11.302
  130   HG13  ILE  21          2HG1      ILE  21 -19.946 -27.047  11.277
  131   HG21  ILE  21          1HG2      ILE  21 -22.694 -24.475  11.786
  132   HG22  ILE  21          2HG2      ILE  21 -21.583 -24.262  13.162
  133   HG23  ILE  21          3HG2      ILE  21 -21.560 -23.105  11.866
  134   HD11  ILE  21          3HD1      ILE  21 -21.660 -26.457  13.704
  135   HD12  ILE  21          1HD1      ILE  21 -20.686 -27.889  13.358
  136   HD13  ILE  21          2HD1      ILE  21 -19.880 -26.344  13.690
  137    H    LYS  22           H        LYS  22 -22.525 -23.159   9.009
  138    HA   LYS  22           HA       LYS  22 -20.968 -21.015   7.953
  139    HB2  LYS  22           1HB      LYS  22 -23.308 -21.497   7.333
  140    HB3  LYS  22           2HB      LYS  22 -23.854 -21.057   8.944
  141    HG2  LYS  22           1HG      LYS  22 -24.283 -19.309   7.263
  142    HG3  LYS  22           2HG      LYS  22 -23.272 -18.730   8.587
  143    HD2  LYS  22           1HD      LYS  22 -21.282 -18.774   7.196
  144    HD3  LYS  22           2HD      LYS  22 -22.121 -19.681   5.935
  145    HE2  LYS  22           1HE      LYS  22 -21.814 -17.349   5.293
  146    HE3  LYS  22           2HE      LYS  22 -23.522 -17.780   5.382
  147    HZ1  LYS  22           3HZ      LYS  22 -22.091 -16.380   7.589
  148    HZ2  LYS  22           1HZ      LYS  22 -23.702 -16.610   7.453
  149    HZ3  LYS  22           2HZ      LYS  22 -22.944 -15.602   6.425
  150    H    ALA  23           H        ALA  23 -22.404 -21.374  11.209
  151    HA   ALA  23           HA       ALA  23 -21.617 -18.862  12.259
  152    HB1  ALA  23           1HB      ALA  23 -21.896 -19.929  14.443
  153    HB2  ALA  23           2HB      ALA  23 -23.201 -20.417  13.347
  154    HB3  ALA  23           3HB      ALA  23 -21.863 -21.537  13.699
  155    H    ASN  24           H        ASN  24 -19.683 -21.860  11.906
  156    HA   ASN  24           HA       ASN  24 -17.373 -20.817  13.335
  157    HB2  ASN  24           1HB      ASN  24 -17.719 -23.105  11.334
  158    HB3  ASN  24           2HB      ASN  24 -16.216 -22.742  12.146
  159   HD21  ASN  24          1HD2      ASN  24 -16.949 -25.171  12.430
  160   HD22  ASN  24          2HD2      ASN  24 -17.596 -25.475  14.048
  161    H    LEU  25           H        LEU  25 -18.489 -20.533   9.970
  162    HA   LEU  25           HA       LEU  25 -15.991 -19.266   9.123
  163    HB2  LEU  25           1HB      LEU  25 -17.365 -20.414   7.488
  164    HB3  LEU  25           2HB      LEU  25 -18.739 -19.360   7.838
  165    HG   LEU  25           HG       LEU  25 -17.498 -17.404   6.986
  166   HD11  LEU  25          1HD1      LEU  25 -15.158 -18.061   7.454
  167   HD12  LEU  25          2HD1      LEU  25 -15.396 -17.692   5.755
  168   HD13  LEU  25          3HD1      LEU  25 -15.287 -19.390   6.278
  169   HD21  LEU  25          3HD2      LEU  25 -17.436 -19.719   5.018
  170   HD22  LEU  25          1HD2      LEU  25 -17.533 -17.993   4.632
  171   HD23  LEU  25          2HD2      LEU  25 -18.887 -18.784   5.458
  172    H    ASN  26           H        ASN  26 -19.238 -18.036  10.135
  173    HA   ASN  26           HA       ASN  26 -18.730 -15.274   9.929
  174    HB2  ASN  26           1HB      ASN  26 -20.188 -16.694  12.215
  175    HB3  ASN  26           2HB      ASN  26 -20.338 -14.997  11.806
  176   HD21  ASN  26          1HD2      ASN  26 -22.440 -16.644  12.151
  177   HD22  ASN  26          2HD2      ASN  26 -23.307 -16.787  10.620
  178    H    VAL  27           H        VAL  27 -17.993 -17.433  12.702
  179    HA   VAL  27           HA       VAL  27 -16.925 -15.375  14.337
  180    HB   VAL  27           HB       VAL  27 -17.741 -17.849  14.833
  181   HG11  VAL  27          1HG1      VAL  27 -16.067 -19.358  15.582
  182   HG12  VAL  27          2HG1      VAL  27 -15.840 -19.043  13.861
  183   HG13  VAL  27          3HG1      VAL  27 -14.760 -18.279  15.054
  184   HG21  VAL  27          3HG2      VAL  27 -15.678 -16.283  16.399
  185   HG22  VAL  27          1HG2      VAL  27 -17.452 -16.057  16.428
  186   HG23  VAL  27          2HG2      VAL  27 -16.742 -17.546  17.087
  187    H    HIS  28           H        HIS  28 -15.419 -17.534  12.071
  188    HA   HIS  28           HA       HIS  28 -12.711 -17.031  12.686
  189    HB2  HIS  28           1HB      HIS  28 -13.420 -18.940  11.434
  190    HB3  HIS  28           2HB      HIS  28 -14.150 -17.958  10.172
  191    HD1  HIS  28           1HD      HIS  28 -10.653 -19.066  11.252
  192    HD2  HIS  28           2HD      HIS  28 -12.654 -16.869   8.287
  193    HE1  HIS  28           1HE      HIS  28  -8.875 -18.408   9.555
  194    H    LEU  29           H        LEU  29 -14.878 -15.350  10.375
  195    HA   LEU  29           HA       LEU  29 -12.924 -13.740   9.090
  196    HB2  LEU  29           1HB      LEU  29 -15.853 -13.173   9.686
  197    HB3  LEU  29           2HB      LEU  29 -14.886 -12.244   8.545
  198    HG   LEU  29           HG       LEU  29 -15.326 -15.228   8.192
  199   HD11  LEU  29          1HD1      LEU  29 -17.524 -14.096   8.256
  200   HD12  LEU  29          2HD1      LEU  29 -17.132 -14.665   6.627
  201   HD13  LEU  29          3HD1      LEU  29 -16.963 -12.939   7.029
  202   HD21  LEU  29          3HD2      LEU  29 -14.875 -14.738   5.849
  203   HD22  LEU  29          1HD2      LEU  29 -13.492 -14.310   6.864
  204   HD23  LEU  29          2HD2      LEU  29 -14.565 -13.034   6.239
  205    H    ARG  30           H        ARG  30 -14.280 -13.391  12.266
  206    HA   ARG  30           HA       ARG  30 -13.941 -10.630  12.767
  207    HB2  ARG  30           1HB      ARG  30 -13.598 -12.983  14.678
  208    HB3  ARG  30           2HB      ARG  30 -13.810 -11.311  15.170
  209    HG2  ARG  30           1HG      ARG  30 -16.032 -11.225  14.094
  210    HG3  ARG  30           2HG      ARG  30 -15.860 -12.915  13.583
  211    HD2  ARG  30           1HD      ARG  30 -15.667 -13.618  15.949
  212    HD3  ARG  30           2HD      ARG  30 -15.870 -11.927  16.459
  213    HE   ARG  30           HE       ARG  30 -18.055 -12.627  14.770
  214   HH11  ARG  30          1HH1      ARG  30 -16.933 -13.369  18.006
  215   HH12  ARG  30          2HH1      ARG  30 -18.543 -13.696  18.587
  216   HH21  ARG  30          2HH2      ARG  30 -20.083 -13.055  15.579
  217   HH22  ARG  30          1HH2      ARG  30 -20.272 -13.526  17.242
  218    H    LYS  31           H        LYS  31 -11.468 -13.173  12.738
  219    HA   LYS  31           HA       LYS  31  -9.425 -11.550  14.012
  220    HB2  LYS  31           1HB      LYS  31  -8.031 -13.355  13.801
  221    HB3  LYS  31           2HB      LYS  31  -9.631 -14.088  13.897
  222    HG2  LYS  31           1HG      LYS  31  -9.561 -14.345  11.358
  223    HG3  LYS  31           2HG      LYS  31  -7.922 -13.705  11.393
  224    HD2  LYS  31           1HD      LYS  31  -7.790 -16.104  11.293
  225    HD3  LYS  31           2HD      LYS  31  -7.200 -15.552  12.864
  226    HE2  LYS  31           1HE      LYS  31  -9.503 -16.088  13.818
  227    HE3  LYS  31           2HE      LYS  31  -9.932 -16.776  12.251
  228    HZ1  LYS  31           3HZ      LYS  31  -8.052 -18.360  12.572
  229    HZ2  LYS  31           1HZ      LYS  31  -9.116 -18.481  13.812
  230    HZ3  LYS  31           2HZ      LYS  31  -7.708 -17.695  14.018
  231    H    HIS  32           H        HIS  32 -10.535 -11.717  10.786
  232    HA   HIS  32           HA       HIS  32  -8.155 -10.481   9.578
  233    HB2  HIS  32           1HB      HIS  32 -10.885 -11.155   8.439
  234    HB3  HIS  32           2HB      HIS  32  -9.501 -10.596   7.511
  235    HD1  HIS  32           1HD      HIS  32  -7.206 -12.482   8.436
  236    HD2  HIS  32           2HD      HIS  32 -11.179 -13.629   7.707
  237    HE1  HIS  32           1HE      HIS  32  -7.113 -14.952   7.894
  238    H    THR  33           H        THR  33 -10.464  -9.154  11.515
  239    HA   THR  33           HA       THR  33 -10.912  -6.655  10.028
  240    HB   THR  33           HB       THR  33 -12.090  -5.868  11.965
  241    HG1  THR  33           1HG      THR  33 -11.597  -8.330  13.260
  242   HG21  THR  33          3HG2      THR  33 -13.326  -7.312  10.417
  243   HG22  THR  33          1HG2      THR  33 -13.907  -7.499  12.082
  244   HG23  THR  33          2HG2      THR  33 -12.874  -8.749  11.350
  245    H    GLY  34           H        GLY  34 -10.390  -4.529  11.094
  246    HA2  GLY  34           1HA      GLY  34  -8.962  -3.055  12.187
  247    HA3  GLY  34           2HA      GLY  34  -8.045  -4.405  12.837
  248    H    GLU  35           H        GLU  35  -6.030  -3.686  12.368
  249    HA   GLU  35           HA       GLU  35  -5.200  -2.091  10.233
  250    HB2  GLU  35           1HB      GLU  35  -3.010  -2.352  11.025
  251    HB3  GLU  35           2HB      GLU  35  -4.093  -2.375  12.417
  252    HG2  GLU  35           1HG      GLU  35  -3.987  -5.004  12.045
  253    HG3  GLU  35           2HG      GLU  35  -2.511  -4.621  11.174
  254    H    LYS  36           H        LYS  36  -4.620  -2.203   8.363
  255    HA   LYS  36           HA       LYS  36  -3.615  -4.658   7.039
  256    HB2  LYS  36           1HB      LYS  36  -5.697  -2.754   5.871
  257    HB3  LYS  36           2HB      LYS  36  -4.830  -4.026   4.978
  258    HG2  LYS  36           1HG      LYS  36  -5.657  -5.678   6.687
  259    HG3  LYS  36           2HG      LYS  36  -6.691  -4.403   7.347
  260    HD2  LYS  36           1HD      LYS  36  -7.946  -4.250   5.251
  261    HD3  LYS  36           2HD      LYS  36  -6.791  -5.351   4.456
  262    HE2  LYS  36           1HE      LYS  36  -8.595  -6.754   5.096
  263    HE3  LYS  36           2HE      LYS  36  -7.257  -7.037   6.229
  264    HZ1  LYS  36           3HZ      LYS  36  -9.703  -5.439   6.774
  265    HZ2  LYS  36           1HZ      LYS  36  -8.410  -5.478   7.781
  266    HZ3  LYS  36           2HZ      LYS  36  -9.254  -6.844   7.506
  267    H    PHE  37           H        PHE  37  -1.757  -4.354   6.442
  268    HA   PHE  37           HA       PHE  37  -0.634  -1.744   5.588
  269    HB2  PHE  37           1HB      PHE  37   0.704  -4.429   6.109
  270    HB3  PHE  37           2HB      PHE  37   1.510  -2.887   5.838
  271    HD1  PHE  37           2HD      PHE  37   1.194  -0.970   7.468
  272    HD2  PHE  37           1HD      PHE  37  -0.092  -4.998   8.301
  273    HE1  PHE  37           2HE      PHE  37   0.994  -0.411   9.866
  274    HE2  PHE  37           1HE      PHE  37  -0.238  -4.450  10.711
  275    HZ   PHE  37           HZ       PHE  37   0.200  -2.132  11.494
  276    H    ALA  38           H        ALA  38  -1.048  -1.251   3.547
  277    HA   ALA  38           HA       ALA  38  -1.319  -3.331   1.472
  278    HB1  ALA  38           1HB      ALA  38  -1.862  -0.339   1.368
  279    HB2  ALA  38           2HB      ALA  38  -2.313  -1.542   0.147
  280    HB3  ALA  38           3HB      ALA  38  -3.075  -1.581   1.753
  281    H    CYS  39           H        CYS  39  -0.134  -3.483  -0.417
  282    HA   CYS  39           HA       CYS  39   2.543  -2.382  -0.451
  283    HB2  CYS  39           1HB      CYS  39   1.916  -4.577  -1.207
  284    HB3  CYS  39           2HB      CYS  39   0.872  -3.900  -2.457
  285    H    ASP  40           H        ASP  40   3.399  -0.796  -1.581
  286    HA   ASP  40           HA       ASP  40   1.635   1.288  -2.703
  287    HB2  ASP  40           1HB      ASP  40   3.548   1.773  -1.128
  288    HB3  ASP  40           2HB      ASP  40   4.660   1.266  -2.400
  289    H    TYR  41           H        TYR  41   2.995  -1.517  -3.864
  290    HA   TYR  41           HA       TYR  41   3.561  -0.443  -6.607
  291    HB2  TYR  41           1HB      TYR  41   4.773  -2.819  -5.150
  292    HB3  TYR  41           2HB      TYR  41   5.113  -2.323  -6.789
  293    HD1  TYR  41           2HD      TYR  41   5.480  -1.573  -3.213
  294    HD2  TYR  41           1HD      TYR  41   6.593  -0.376  -7.198
  295    HE1  TYR  41           2HE      TYR  41   7.287  -0.120  -2.268
  296    HE2  TYR  41           1HE      TYR  41   8.401   1.064  -6.262
  297    HH   TYR  41           HH       TYR  41   8.989   1.338  -2.735
  298    H    CYS  42           H        CYS  42   1.809  -2.901  -4.782
  299    HA   CYS  42           HA       CYS  42   0.207  -3.391  -7.215
  300    HB2  CYS  42           1HB      CYS  42   0.144  -5.806  -6.953
  301    HB3  CYS  42           2HB      CYS  42   1.782  -5.234  -7.284
  302    H    SER  43           H        SER  43  -1.645  -5.105  -6.431
  303    HA   SER  43           HA       SER  43  -3.273  -3.631  -4.519
  304    HB2  SER  43           1HB      SER  43  -5.001  -5.303  -5.148
  305    HB3  SER  43           2HB      SER  43  -4.284  -4.466  -6.533
  306    HG   SER  43           HG       SER  43  -4.443  -6.744  -6.864
  307    H    PHE  44           H        PHE  44  -0.826  -5.710  -3.850
  308    HA   PHE  44           HA       PHE  44  -1.886  -7.649  -2.115
  309    HB2  PHE  44           1HB      PHE  44   0.329  -7.761  -2.883
  310    HB3  PHE  44           2HB      PHE  44   0.770  -6.226  -2.179
  311    HD1  PHE  44           1HD      PHE  44   1.128  -6.002   0.294
  312    HD2  PHE  44           2HD      PHE  44   0.419  -9.818  -1.588
  313    HE1  PHE  44           1HE      PHE  44   2.068  -7.152   2.274
  314    HE2  PHE  44           2HE      PHE  44   1.376 -10.966   0.396
  315    HZ   PHE  44           HZ       PHE  44   2.224  -9.633   2.318
  316    H    THR  45           H        THR  45  -2.220  -7.781   0.030
  317    HA   THR  45           HA       THR  45  -1.720  -5.546   1.855
  318    HB   THR  45           HB       THR  45  -3.951  -5.817   2.926
  319    HG1  THR  45           1HG      THR  45  -5.626  -6.649   1.612
  320   HG21  THR  45          3HG2      THR  45  -5.161  -4.372   1.371
  321   HG22  THR  45          1HG2      THR  45  -4.008  -4.785   0.072
  322   HG23  THR  45          2HG2      THR  45  -3.456  -3.917   1.528
  323    H    CYS  46           H        CYS  46  -1.541  -6.116   3.995
  324    HA   CYS  46           HA       CYS  46  -1.934  -8.935   4.801
  325    HB2  CYS  46           1HB      CYS  46   0.403  -8.701   3.835
  326    HB3  CYS  46           2HB      CYS  46   0.778  -7.579   5.157
  327    HG   CYS  46           HG       CYS  46  -0.361 -10.714   5.340
  328    H    LEU  47           H        LEU  47  -1.890  -9.278   7.084
  329    HA   LEU  47           HA       LEU  47  -2.720  -6.981   8.721
  330    HB2  LEU  47           1HB      LEU  47  -2.311  -9.879   9.533
  331    HB3  LEU  47           2HB      LEU  47  -3.184  -8.637  10.425
  332    HG   LEU  47           HG       LEU  47  -4.027  -9.895   7.779
  333   HD11  LEU  47          1HD1      LEU  47  -5.857 -10.835   9.087
  334   HD12  LEU  47          2HD1      LEU  47  -5.248 -10.052  10.562
  335   HD13  LEU  47          3HD1      LEU  47  -4.300 -11.330   9.768
  336   HD21  LEU  47          3HD2      LEU  47  -6.153  -8.660   8.047
  337   HD22  LEU  47          1HD2      LEU  47  -4.788  -7.556   7.822
  338   HD23  LEU  47          2HD2      LEU  47  -5.473  -7.793   9.443
  339    H    SER  48           H        SER  48   0.281  -8.113   7.821
  340    HA   SER  48           HA       SER  48   1.616  -7.042  10.280
  341    HB2  SER  48           1HB      SER  48   2.005  -9.408  10.211
  342    HB3  SER  48           2HB      SER  48   2.464  -9.343   8.499
  343    HG   SER  48           HG       SER  48   4.215  -9.338  10.167
  344    H    LYS  49           H        LYS  49   2.665  -5.313  10.019
  345    HA   LYS  49           HA       LYS  49   3.437  -4.057   7.566
  346    HB2  LYS  49           1HB      LYS  49   5.018  -2.792   9.225
  347    HB3  LYS  49           2HB      LYS  49   3.287  -2.511   9.197
  348    HG2  LYS  49           1HG      LYS  49   3.006  -3.952  11.196
  349    HG3  LYS  49           2HG      LYS  49   4.761  -4.244  11.223
  350    HD2  LYS  49           1HD      LYS  49   5.178  -1.862  11.643
  351    HD3  LYS  49           2HD      LYS  49   3.478  -1.479  11.345
  352    HE2  LYS  49           1HE      LYS  49   3.761  -1.423  13.694
  353    HE3  LYS  49           2HE      LYS  49   2.815  -2.861  13.304
  354    HZ1  LYS  49           3HZ      LYS  49   4.853  -4.187  13.581
  355    HZ2  LYS  49           1HZ      LYS  49   4.569  -3.329  14.935
  356    HZ3  LYS  49           2HZ      LYS  49   5.733  -2.846  13.904
  357    H    GLY  50           H        GLY  50   5.104  -6.319   9.704
  358    HA2  GLY  50           1HA      GLY  50   7.750  -6.078   8.556
  359    HA3  GLY  50           2HA      GLY  50   7.120  -7.406   9.540
  360    H    HIS  51           H        HIS  51   4.954  -8.286   7.906
  361    HA   HIS  51           HA       HIS  51   6.368  -9.683   5.800
  362    HB2  HIS  51           1HB      HIS  51   4.461 -10.652   7.049
  363    HB3  HIS  51           2HB      HIS  51   3.391  -9.474   6.274
  364    HD1  HIS  51           1HD      HIS  51   2.010 -11.157   4.777
  365    HD2  HIS  51           2HD      HIS  51   6.179 -11.504   4.406
  366    HE1  HIS  51           1HE      HIS  51   2.423 -12.723   2.804
  367    H    LEU  52           H        LEU  52   4.186  -6.803   5.769
  368    HA   LEU  52           HA       LEU  52   4.158  -6.459   2.946
  369    HB2  LEU  52           1HB      LEU  52   2.728  -5.101   4.370
  370    HB3  LEU  52           2HB      LEU  52   4.124  -4.421   5.208
  371    HG   LEU  52           HG       LEU  52   4.875  -3.324   3.097
  372   HD11  LEU  52          1HD1      LEU  52   2.213  -4.303   1.978
  373   HD12  LEU  52          2HD1      LEU  52   3.820  -4.854   1.444
  374   HD13  LEU  52          3HD1      LEU  52   3.360  -3.179   1.214
  375   HD21  LEU  52          3HD2      LEU  52   3.430  -2.122   4.722
  376   HD22  LEU  52          1HD2      LEU  52   2.025  -2.581   3.719
  377   HD23  LEU  52          2HD2      LEU  52   3.298  -1.556   3.049
  378    H    LYS  53           H        LYS  53   6.630  -5.392   5.345
  379    HA   LYS  53           HA       LYS  53   8.359  -4.119   3.438
  380    HB2  LYS  53           1HB      LYS  53   8.686  -3.697   5.750
  381    HB3  LYS  53           2HB      LYS  53   8.831  -5.407   6.154
  382    HG2  LYS  53           1HG      LYS  53  10.959  -5.603   5.030
  383    HG3  LYS  53           2HG      LYS  53  10.853  -3.962   4.392
  384    HD2  LYS  53           1HD      LYS  53  10.915  -4.676   7.361
  385    HD3  LYS  53           2HD      LYS  53  12.357  -4.278   6.408
  386    HE2  LYS  53           1HE      LYS  53  11.380  -2.045   5.874
  387    HE3  LYS  53           2HE      LYS  53   9.977  -2.425   6.882
  388    HZ1  LYS  53           3HZ      LYS  53  12.780  -2.258   7.858
  389    HZ2  LYS  53           1HZ      LYS  53  11.487  -2.613   8.791
  390    HZ3  LYS  53           2HZ      LYS  53  11.625  -1.137   8.113
  391    H    VAL  54           H        VAL  54   8.430  -7.514   4.642
  392    HA   VAL  54           HA       VAL  54  10.532  -8.352   2.922
  393    HB   VAL  54           HB       VAL  54   8.243  -9.961   4.119
  394   HG11  VAL  54          1HG1      VAL  54   9.741 -11.942   3.763
  395   HG12  VAL  54          2HG1      VAL  54   9.147 -11.248   2.255
  396   HG13  VAL  54          3HG1      VAL  54  10.811 -10.919   2.772
  397   HG21  VAL  54          3HG2      VAL  54   9.942 -10.642   5.751
  398   HG22  VAL  54          1HG2      VAL  54  11.170  -9.658   4.916
  399   HG23  VAL  54          2HG2      VAL  54   9.808  -8.880   5.741
  400    H    HIS  55           H        HIS  55   7.004  -8.287   2.286
  401    HA   HIS  55           HA       HIS  55   7.034  -9.486  -0.258
  402    HB2  HIS  55           1HB      HIS  55   4.949  -9.090   0.865
  403    HB3  HIS  55           2HB      HIS  55   5.262  -7.365   0.997
  404    HD1  HIS  55           1HD      HIS  55   4.211  -9.936  -1.648
  405    HD2  HIS  55           2HD      HIS  55   4.576  -5.792  -1.040
  406    HE1  HIS  55           1HE      HIS  55   3.159  -8.841  -3.679
  407    H    ILE  56           H        ILE  56   7.529  -5.997   0.536
  408    HA   ILE  56           HA       ILE  56   7.975  -5.297  -2.264
  409    HB   ILE  56           HB       ILE  56   8.611  -3.834   0.307
  410   HG12  ILE  56          1HG1      ILE  56   6.321  -3.329  -1.637
  411   HG13  ILE  56          2HG1      ILE  56   6.146  -4.323  -0.201
  412   HG21  ILE  56          1HG2      ILE  56  10.023  -3.058  -1.607
  413   HG22  ILE  56          2HG2      ILE  56   8.549  -2.798  -2.570
  414   HG23  ILE  56          3HG2      ILE  56   8.870  -1.822  -1.122
  415   HD11  ILE  56          3HD1      ILE  56   5.313  -2.115   0.257
  416   HD12  ILE  56          1HD1      ILE  56   6.746  -2.440   1.251
  417   HD13  ILE  56          2HD1      ILE  56   6.862  -1.376  -0.176
  418    H    GLU  57           H        GLU  57  10.136  -6.145   0.425
  419    HA   GLU  57           HA       GLU  57  12.613  -5.662  -0.953
  420    HB2  GLU  57           1HB      GLU  57  11.878  -7.498   1.338
  421    HB3  GLU  57           2HB      GLU  57  13.528  -7.174   0.859
  422    HG2  GLU  57           1HG      GLU  57  11.802  -4.794   1.536
  423    HG3  GLU  57           2HG      GLU  57  12.330  -5.864   2.828
  424    H    ARG  58           H        ARG  58  10.357  -8.212  -1.304
  425    HA   ARG  58           HA       ARG  58  12.365  -9.890  -2.786
  426    HB2  ARG  58           1HB      ARG  58  11.241 -11.824  -2.255
  427    HB3  ARG  58           2HB      ARG  58  11.104 -10.850  -0.806
  428    HG2  ARG  58           1HG      ARG  58   8.782 -10.177  -1.610
  429    HG3  ARG  58           2HG      ARG  58   8.955 -11.437  -2.851
  430    HD2  ARG  58           1HD      ARG  58   9.285 -13.110  -1.023
  431    HD3  ARG  58           2HD      ARG  58   9.040 -11.809   0.156
  432    HE   ARG  58           HE       ARG  58   6.935 -12.440  -1.878
  433   HH11  ARG  58          1HH1      ARG  58   7.746 -12.477   1.537
  434   HH12  ARG  58          2HH1      ARG  58   6.058 -12.521   2.006
  435   HH21  ARG  58          2HH2      ARG  58   4.832 -12.690  -1.155
  436   HH22  ARG  58          1HH2      ARG  58   4.518 -12.672   0.559
  437    H    VAL  59           H        VAL  59   9.086  -8.517  -3.179
  438    HA   VAL  59           HA       VAL  59   8.999  -9.616  -5.878
  439    HB   VAL  59           HB       VAL  59   6.899  -7.907  -4.495
  440   HG11  VAL  59          1HG1      VAL  59   6.728  -9.699  -6.957
  441   HG12  VAL  59          2HG1      VAL  59   5.366  -8.863  -6.181
  442   HG13  VAL  59          3HG1      VAL  59   6.640  -7.926  -6.954
  443   HG21  VAL  59          3HG2      VAL  59   7.121  -9.952  -3.228
  444   HG22  VAL  59          1HG2      VAL  59   5.689 -10.104  -4.232
  445   HG23  VAL  59          2HG2      VAL  59   7.184 -10.934  -4.714
  446    H    HIS  60           H        HIS  60   8.961  -6.357  -4.396
  447    HA   HIS  60           HA       HIS  60   9.266  -5.097  -7.063
  448    HB2  HIS  60           1HB      HIS  60   8.399  -3.821  -4.482
  449    HB3  HIS  60           2HB      HIS  60   8.263  -3.156  -6.107
  450    HD1  HIS  60           1HD      HIS  60   6.502  -4.743  -7.766
  451    HD2  HIS  60           2HD      HIS  60   6.335  -5.039  -3.576
  452    HE1  HIS  60           1HE      HIS  60   4.225  -5.748  -7.234
  453    H    LYS  61           H        LYS  61  11.453  -6.219  -5.297
  454    HA   LYS  61           HA       LYS  61  13.132  -4.161  -4.315
  455    HB2  LYS  61           1HB      LYS  61  13.373  -6.416  -3.631
  456    HB3  LYS  61           2HB      LYS  61  13.603  -7.000  -5.269
  457    HG2  LYS  61           1HG      LYS  61  15.686  -7.049  -3.997
  458    HG3  LYS  61           2HG      LYS  61  15.811  -6.037  -5.424
  459    HD2  LYS  61           1HD      LYS  61  16.987  -5.112  -3.459
  460    HD3  LYS  61           2HD      LYS  61  15.759  -4.006  -4.079
  461    HE2  LYS  61           1HE      LYS  61  14.200  -4.660  -2.316
  462    HE3  LYS  61           2HE      LYS  61  15.308  -5.915  -1.744
  463    HZ1  LYS  61           3HZ      LYS  61  16.866  -4.181  -1.098
  464    HZ2  LYS  61           1HZ      LYS  61  15.405  -3.885  -0.412
  465    HZ3  LYS  61           2HZ      LYS  61  15.898  -3.000  -1.695
  466    H    LYS  62           H        LYS  62  14.030  -2.591  -5.299
  467    HA   LYS  62           HA       LYS  62  14.729  -1.141  -6.857
  468    HB2  LYS  62           1HB      LYS  62  16.732  -2.684  -6.315
  469    HB3  LYS  62           2HB      LYS  62  16.513  -3.346  -7.940
  470    HG2  LYS  62           1HG      LYS  62  16.778  -1.005  -8.861
  471    HG3  LYS  62           2HG      LYS  62  16.990  -0.424  -7.199
  472    HD2  LYS  62           1HD      LYS  62  19.025  -1.838  -6.964
  473    HD3  LYS  62           2HD      LYS  62  18.779  -2.455  -8.601
  474    HE2  LYS  62           1HE      LYS  62  20.475  -0.773  -8.717
  475    HE3  LYS  62           2HE      LYS  62  19.027  -0.142  -9.506
  476    HZ1  LYS  62           3HZ      LYS  62  18.563   1.177  -7.526
  477    HZ2  LYS  62           1HZ      LYS  62  20.089   1.483  -8.009
  478    HZ3  LYS  62           2HZ      LYS  62  19.835   0.517  -6.719
  479    H    ILE  63           H        ILE  63  12.383  -1.848  -7.558
  480    HA   ILE  63           HA       ILE  63  12.052  -2.822 -10.232
  481    HB   ILE  63           HB       ILE  63  10.312  -2.887  -8.524
  482   HG12  ILE  63          1HG1      ILE  63   9.406  -1.382 -11.005
  483   HG13  ILE  63          2HG1      ILE  63   9.839  -3.094 -10.962
  484   HG21  ILE  63          1HG2      ILE  63   8.991  -0.956  -7.907
  485   HG22  ILE  63          2HG2      ILE  63  10.678  -0.597  -7.552
  486   HG23  ILE  63          3HG2      ILE  63   9.914   0.092  -9.001
  487   HD11  ILE  63          3HD1      ILE  63   8.033  -3.500  -9.285
  488   HD12  ILE  63          1HD1      ILE  63   7.531  -1.800  -9.454
  489   HD13  ILE  63          2HD1      ILE  63   7.436  -2.893 -10.841
  490    H    LYS  64           H        LYS  64  11.863  -1.820 -12.192
  491    HA   LYS  64           HA       LYS  64  13.599   0.417 -12.556
  492    HB2  LYS  64           1HB      LYS  64  11.795  -1.041 -14.525
  493    HB3  LYS  64           2HB      LYS  64  13.034   0.136 -14.978
  494    HG2  LYS  64           1HG      LYS  64  14.798  -1.269 -13.990
  495    HG3  LYS  64           2HG      LYS  64  13.592  -2.449 -13.450
  496    HD2  LYS  64           1HD      LYS  64  12.934  -2.863 -15.813
  497    HD3  LYS  64           2HD      LYS  64  14.201  -1.735 -16.349
  498    HE2  LYS  64           1HE      LYS  64  15.927  -3.141 -15.262
  499    HE3  LYS  64           2HE      LYS  64  14.676  -4.240 -14.667
  500    HZ1  LYS  64           3HZ      LYS  64  14.127  -4.770 -16.982
  501    HZ2  LYS  64           1HZ      LYS  64  15.698  -5.092 -16.691
  502    HZ3  LYS  64           2HZ      LYS  64  15.288  -3.761 -17.537
  503    H    GLN  65           H        GLN  65  10.109   0.223 -12.932
  504    HA   GLN  65           HA       GLN  65   8.459   1.712 -13.029
  505    HB2  GLN  65           1HB      GLN  65  10.098   2.495 -10.937
  506    HB3  GLN  65           2HB      GLN  65   9.948   3.981 -11.831
  507    HG2  GLN  65           1HG      GLN  65   8.206   3.954 -10.201
  508    HG3  GLN  65           2HG      GLN  65   7.435   3.747 -11.762
  509   HE21  GLN  65          1HE2      GLN  65   5.843   3.089  -9.728
  510   HE22  GLN  65          2HE2      GLN  65   5.768   1.344  -9.519
  511    H    HIS  66           H        HIS  66   7.451   3.534 -13.942
  512    HA   HIS  66           HA       HIS  66   9.091   5.399 -15.470
  513    HB2  HIS  66           1HB      HIS  66   7.838   5.228 -17.521
  514    HB3  HIS  66           2HB      HIS  66   8.558   3.673 -17.137
  515    HD1  HIS  66           1HD      HIS  66   6.832   1.650 -16.747
  516    HD2  HIS  66           2HD      HIS  66   5.109   5.454 -17.281
  517    HE1  HIS  66           1HE      HIS  66   4.330   1.265 -17.053
  518    H    CYS  67           H        CYS  67   8.145   7.354 -15.915
  519    HA   CYS  67           HA       CYS  67   6.511   8.447 -13.876
  520    HB2  CYS  67           1HB      CYS  67   8.378   9.495 -15.173
  521    HB3  CYS  67           2HB      CYS  67   7.347   9.497 -16.607
  522    H    ARG  68           H        ARG  68   4.363   8.680 -13.679
  523    HA   ARG  68           HA       ARG  68   2.554   7.824 -15.800
  524    HB2  ARG  68           1HB      ARG  68   0.769   8.127 -14.357
  525    HB3  ARG  68           2HB      ARG  68   2.070   7.478 -13.380
  526    HG2  ARG  68           1HG      ARG  68   1.119  10.387 -13.425
  527    HG3  ARG  68           2HG      ARG  68   0.739   9.170 -12.212
  528    HD2  ARG  68           1HD      ARG  68   3.291   9.004 -11.798
  529    HD3  ARG  68           2HD      ARG  68   3.411  10.486 -12.754
  530    HE   ARG  68           HE       ARG  68   2.304  11.697 -11.083
  531   HH11  ARG  68          2HH1      ARG  68   2.423   8.334 -10.081
  532   HH12  ARG  68          1HH1      ARG  68   2.031   8.721  -8.430
  533   HH21  ARG  68          2HH2      ARG  68   1.807  12.106  -8.947
  534   HH22  ARG  68          1HH2      ARG  68   1.690  10.793  -7.818
  535    H    PHE  69           H        PHE  69   4.027  10.857 -15.126
  536    HA   PHE  69           HA       PHE  69   1.929  12.415 -16.487
  537    HB2  PHE  69           1HB      PHE  69   4.633  13.258 -15.432
  538    HB3  PHE  69           2HB      PHE  69   3.374  14.327 -16.013
  539    HD1  PHE  69           2HD      PHE  69   0.984  13.980 -14.764
  540    HD2  PHE  69           1HD      PHE  69   4.856  13.041 -13.119
  541    HE1  PHE  69           2HE      PHE  69   0.097  14.324 -12.471
  542    HE2  PHE  69           1HE      PHE  69   3.990  13.458 -10.834
  543    HZ   PHE  69           HZ       PHE  69   1.604  14.099 -10.506
  544    H    CYS  70           H        CYS  70   5.315  11.416 -17.182
  545    HA   CYS  70           HA       CYS  70   4.939  12.296 -20.006
  546    HB2  CYS  70           1HB      CYS  70   7.124  13.169 -20.113
  547    HB3  CYS  70           2HB      CYS  70   6.228  13.936 -18.808
  548    H    LYS  71           H        LYS  71   5.228   9.539 -18.336
  549    HA   LYS  71           HA       LYS  71   5.696   7.390 -18.832
  550    HB2  LYS  71           1HB      LYS  71   5.252   8.459 -21.616
  551    HB3  LYS  71           2HB      LYS  71   5.569   6.764 -21.305
  552    HG2  LYS  71           1HG      LYS  71   3.212   7.104 -21.486
  553    HG3  LYS  71           2HG      LYS  71   3.620   6.565 -19.860
  554    HD2  LYS  71           1HD      LYS  71   3.235   8.793 -18.953
  555    HD3  LYS  71           2HD      LYS  71   3.051   9.473 -20.591
  556    HE2  LYS  71           1HE      LYS  71   1.050   8.053 -20.937
  557    HE3  LYS  71           2HE      LYS  71   1.257   7.350 -19.327
  558    HZ1  LYS  71           3HZ      LYS  71   0.882   9.556 -18.370
  559    HZ2  LYS  71           1HZ      LYS  71  -0.380   9.151 -19.322
  560    HZ3  LYS  71           2HZ      LYS  71   0.723  10.228 -19.858
  561    H    LYS  72           H        LYS  72   8.030   9.348 -18.736
  562    HA   LYS  72           HA       LYS  72  10.263   7.873 -19.935
  563    HB2  LYS  72           1HB      LYS  72  10.090  10.407 -19.261
  564    HB3  LYS  72           2HB      LYS  72  10.352   9.850 -17.624
  565    HG2  LYS  72           1HG      LYS  72  12.513   8.907 -18.199
  566    HG3  LYS  72           2HG      LYS  72  12.222   9.153 -19.933
  567    HD2  LYS  72           1HD      LYS  72  12.184  11.594 -19.618
  568    HD3  LYS  72           2HD      LYS  72  12.473  11.411 -17.889
  569    HE2  LYS  72           1HE      LYS  72  14.336  10.426 -20.107
  570    HE3  LYS  72           2HE      LYS  72  14.517  11.965 -19.256
  571    HZ1  LYS  72           3HZ      LYS  72  14.749  10.711 -17.179
  572    HZ2  LYS  72           1HZ      LYS  72  15.926  10.303 -18.243
  573    HZ3  LYS  72           2HZ      LYS  72  14.674   9.285 -17.985
  574    H    LYS  73           H        LYS  73  11.183   6.242 -19.368
  575    HA   LYS  73           HA       LYS  73  10.709   4.732 -16.910
  576    HB2  LYS  73           1HB      LYS  73  10.898   3.533 -18.961
  577    HB3  LYS  73           2HB      LYS  73  12.369   4.403 -19.436
  578    HG2  LYS  73           1HG      LYS  73  13.623   3.395 -17.678
  579    HG3  LYS  73           2HG      LYS  73  12.182   2.552 -17.056
  580    HD2  LYS  73           1HD      LYS  73  12.023   1.257 -19.140
  581    HD3  LYS  73           2HD      LYS  73  13.383   2.135 -19.844
  582    HE2  LYS  73           1HE      LYS  73  13.564   0.397 -17.338
  583    HE3  LYS  73           2HE      LYS  73  13.898  -0.176 -18.974
  584    HZ1  LYS  73           3HZ      LYS  73  15.654   1.564 -19.115
  585    HZ2  LYS  73           1HZ      LYS  73  15.963   0.444 -17.977
  586    HZ3  LYS  73           2HZ      LYS  73  15.456   1.911 -17.524
  587    H    TYR  74           H        TYR  74  12.084   4.510 -15.129
  588    HA   TYR  74           HA       TYR  74  14.444   6.360 -15.127
  589    HB2  TYR  74           1HB      TYR  74  12.058   6.160 -13.400
  590    HB3  TYR  74           2HB      TYR  74  13.574   6.333 -12.526
  591    HD1  TYR  74           1HD      TYR  74  11.260   7.979 -14.864
  592    HD2  TYR  74           2HD      TYR  74  15.115   8.183 -12.991
  593    HE1  TYR  74           1HE      TYR  74  11.636  10.232 -15.879
  594    HE2  TYR  74           2HE      TYR  74  15.460  10.465 -13.890
  595    HH   TYR  74           HH       TYR  74  14.680  12.079 -15.269
  596    H    SER  75           H        SER  75  13.950   3.145 -14.982
  597    HA   SER  75           HA       SER  75  15.158   1.351 -14.396
  598    HB2  SER  75           1HB      SER  75  17.485   3.274 -14.289
  599    HB3  SER  75           2HB      SER  75  17.597   1.503 -14.351
  600    HG   SER  75           HG       SER  75  17.740   2.566 -16.429
  601    H    ASP  76           H        ASP  76  14.759   3.695 -12.065
  602    HA   ASP  76           HA       ASP  76  14.610   1.690  -9.976
  603    HB2  ASP  76           1HB      ASP  76  16.999   2.774  -9.878
  604    HB3  ASP  76           2HB      ASP  76  16.167   4.228  -9.361
  605    H    VAL  77           H        VAL  77  12.689   2.175  -8.909
  606    HA   VAL  77           HA       VAL  77  11.067   4.449  -9.406
  607    HB   VAL  77           HB       VAL  77  10.302   2.364  -8.308
  608   HG11  VAL  77          1HG1      VAL  77  10.575   1.961  -5.940
  609   HG12  VAL  77          2HG1      VAL  77  12.185   2.085  -6.657
  610   HG13  VAL  77          3HG1      VAL  77  11.509   3.447  -5.726
  611   HG21  VAL  77          3HG2      VAL  77   8.990   4.514  -8.178
  612   HG22  VAL  77          1HG2      VAL  77   8.672   3.384  -6.850
  613   HG23  VAL  77          2HG2      VAL  77   9.704   4.799  -6.584
  614    H    LYS  78           H        LYS  78  13.725   4.074  -7.038
  615    HA   LYS  78           HA       LYS  78  13.234   6.483  -5.558
  616    HB2  LYS  78           1HB      LYS  78  15.841   5.008  -6.131
  617    HB3  LYS  78           2HB      LYS  78  15.662   6.323  -4.962
  618    HG2  LYS  78           1HG      LYS  78  13.989   5.015  -3.697
  619    HG3  LYS  78           2HG      LYS  78  14.153   3.669  -4.840
  620    HD2  LYS  78           1HD      LYS  78  16.552   3.451  -4.256
  621    HD3  LYS  78           2HD      LYS  78  16.397   4.805  -3.112
  622    HE2  LYS  78           1HE      LYS  78  14.666   3.519  -1.854
  623    HE3  LYS  78           2HE      LYS  78  14.868   2.166  -2.975
  624    HZ1  LYS  78           3HZ      LYS  78  17.191   1.996  -2.240
  625    HZ2  LYS  78           1HZ      LYS  78  16.190   1.855  -0.958
  626    HZ3  LYS  78           2HZ      LYS  78  17.000   3.248  -1.205
  627    H    ASN  79           H        ASN  79  14.858   6.032  -8.688
  628    HA   ASN  79           HA       ASN  79  15.792   8.804  -8.804
  629    HB2  ASN  79           1HB      ASN  79  15.336   6.814 -11.064
  630    HB3  ASN  79           2HB      ASN  79  16.286   8.299 -11.144
  631   HD21  ASN  79          1HD2      ASN  79  17.131   5.657 -11.873
  632   HD22  ASN  79          2HD2      ASN  79  18.528   5.335 -10.847
  633    H    LEU  80           H        LEU  80  12.887   7.046  -9.907
  634    HA   LEU  80           HA       LEU  80  11.772   9.113 -11.496
  635    HB2  LEU  80           1HB      LEU  80  10.976   6.745 -11.499
  636    HB3  LEU  80           2HB      LEU  80  10.403   6.951  -9.845
  637    HG   LEU  80           HG       LEU  80   8.758   8.630 -10.570
  638   HD11  LEU  80          1HD1      LEU  80   9.499   7.870 -13.412
  639   HD12  LEU  80          2HD1      LEU  80  10.013   9.390 -12.649
  640   HD13  LEU  80          3HD1      LEU  80   8.301   9.071 -12.858
  641   HD21  LEU  80          3HD2      LEU  80   8.093   6.295 -10.421
  642   HD22  LEU  80          1HD2      LEU  80   8.607   6.021 -12.108
  643   HD23  LEU  80          2HD2      LEU  80   7.248   7.107 -11.748
  644    H    ILE  81           H        ILE  81  11.466   8.473  -7.965
  645    HA   ILE  81           HA       ILE  81   9.463  10.384  -7.386
  646    HB   ILE  81           HB       ILE  81  11.810   9.769  -5.564
  647   HG12  ILE  81          1HG1      ILE  81  11.075   7.642  -6.130
  648   HG13  ILE  81          2HG1      ILE  81  10.424   7.978  -4.580
  649   HG21  ILE  81          1HG2      ILE  81  10.126  10.188  -3.771
  650   HG22  ILE  81          2HG2      ILE  81  10.426  11.613  -4.770
  651   HG23  ILE  81          3HG2      ILE  81   8.948  10.660  -5.016
  652   HD11  ILE  81          3HD1      ILE  81   8.866   8.023  -7.194
  653   HD12  ILE  81          1HD1      ILE  81   8.724   6.850  -5.875
  654   HD13  ILE  81          2HD1      ILE  81   8.193   8.520  -5.624
  655    H    LYS  82           H        LYS  82  13.003  10.821  -7.407
  656    HA   LYS  82           HA       LYS  82  12.984  13.635  -6.867
  657    HB2  LYS  82           1HB      LYS  82  14.934  12.090  -6.613
  658    HB3  LYS  82           2HB      LYS  82  15.050  11.937  -8.370
  659    HG2  LYS  82           1HG      LYS  82  15.506  14.361  -8.563
  660    HG3  LYS  82           2HG      LYS  82  15.355  14.553  -6.814
  661    HD2  LYS  82           1HD      LYS  82  17.427  12.849  -8.271
  662    HD3  LYS  82           2HD      LYS  82  17.723  14.460  -7.634
  663    HE2  LYS  82           1HE      LYS  82  16.972  12.025  -5.946
  664    HE3  LYS  82           2HE      LYS  82  18.614  12.609  -6.208
  665    HZ1  LYS  82           3HZ      LYS  82  16.468  14.166  -4.865
  666    HZ2  LYS  82           1HZ      LYS  82  17.985  14.709  -5.146
  667    HZ3  LYS  82           2HZ      LYS  82  17.741  13.458  -4.129
  668    H    HIS  83           H        HIS  83  12.925  11.895 -10.014
  669    HA   HIS  83           HA       HIS  83  12.856  14.219 -11.696
  670    HB2  HIS  83           1HB      HIS  83  13.194  12.129 -12.731
  671    HB3  HIS  83           2HB      HIS  83  11.790  11.395 -11.975
  672    HD1  HIS  83           1HD      HIS  83  12.577  13.908 -14.787
  673    HD2  HIS  83           2HD      HIS  83   9.466  11.577 -13.201
  674    HE1  HIS  83           1HE      HIS  83  10.676  14.087 -16.447
  675    H    ILE  84           H        ILE  84  10.098  12.482 -10.134
  676    HA   ILE  84           HA       ILE  84   8.092  14.272 -11.140
  677    HB   ILE  84           HB       ILE  84   8.228  12.412  -8.764
  678   HG12  ILE  84          1HG1      ILE  84   6.482  12.309 -11.264
  679   HG13  ILE  84          2HG1      ILE  84   8.093  11.593 -11.195
  680   HG21  ILE  84          1HG2      ILE  84   6.745  14.144  -7.998
  681   HG22  ILE  84          2HG2      ILE  84   5.905  14.213  -9.563
  682   HG23  ILE  84          3HG2      ILE  84   5.739  12.798  -8.499
  683   HD11  ILE  84          3HD1      ILE  84   5.724  10.788  -9.481
  684   HD12  ILE  84          1HD1      ILE  84   6.526   9.854 -10.758
  685   HD13  ILE  84          2HD1      ILE  84   7.393  10.217  -9.243
  686    H    ARG  85           H        ARG  85   9.916  14.366  -8.061
  687    HA   ARG  85           HA       ARG  85   8.759  16.847  -7.190
  688    HB2  ARG  85           1HB      ARG  85  11.400  15.522  -6.447
  689    HB3  ARG  85           2HB      ARG  85  10.741  16.964  -5.659
  690    HG2  ARG  85           1HG      ARG  85   8.574  15.612  -5.322
  691    HG3  ARG  85           2HG      ARG  85   9.497  14.178  -5.706
  692    HD2  ARG  85           1HD      ARG  85  10.963  14.529  -3.810
  693    HD3  ARG  85           2HD      ARG  85  10.250  16.113  -3.482
  694    HE   ARG  85           HE       ARG  85   9.169  13.504  -2.744
  695   HH11  ARG  85          2HH1      ARG  85   8.185  16.879  -3.245
  696   HH12  ARG  85          1HH1      ARG  85   6.675  16.567  -2.374
  697   HH21  ARG  85          1HH2      ARG  85   7.174  13.371  -1.634
  698   HH22  ARG  85          2HH2      ARG  85   6.186  14.834  -1.572
  699    H    ASP  86           H        ASP  86  11.414  16.382  -9.427
  700    HA   ASP  86           HA       ASP  86  12.067  19.262  -9.370
  701    HB2  ASP  86           1HB      ASP  86  13.202  16.893 -10.888
  702    HB3  ASP  86           2HB      ASP  86  13.727  18.554 -11.125
  703    H    ALA  87           H        ALA  87  10.503  17.018 -11.686
  704    HA   ALA  87           HA       ALA  87  10.180  19.234 -13.640
  705    HB1  ALA  87           1HB      ALA  87   9.848  17.443 -15.253
  706    HB2  ALA  87           2HB      ALA  87  11.321  17.136 -14.313
  707    HB3  ALA  87           3HB      ALA  87   9.832  16.228 -13.963
  708    H    HIS  88           H        HIS  88   8.194  17.204 -11.547
  709    HA   HIS  88           HA       HIS  88   5.699  18.403 -12.661
  710    HB2  HIS  88           1HB      HIS  88   6.050  15.582 -11.607
  711    HB3  HIS  88           2HB      HIS  88   4.636  16.268 -12.379
  712    HD1  HIS  88           1HD      HIS  88   5.260  17.023 -15.160
  713    HD2  HIS  88           2HD      HIS  88   7.394  14.041 -13.116
  714    HE1  HIS  88           1HE      HIS  88   6.274  15.535 -16.963
  715    H    ASP  89           H        ASP  89   7.365  19.214 -10.383
  716    HA   ASP  89           HA       ASP  89   7.252  18.529  -7.971
  717    HB2  ASP  89           1HB      ASP  89   7.249  20.737  -7.112
  718    HB3  ASP  89           2HB      ASP  89   8.185  20.574  -8.580
  719    HA   PRO  90           HA       PRO  90   2.994  17.738  -6.595
  720    HB2  PRO  90           1HB      PRO  90   4.612  16.638  -4.302
  721    HB3  PRO  90           2HB      PRO  90   3.183  15.929  -5.115
  722    HG2  PRO  90           1HG      PRO  90   5.673  15.000  -5.653
  723    HG3  PRO  90           2HG      PRO  90   4.502  15.257  -6.991
  724    HD2  PRO  90           1HD      PRO  90   6.756  17.094  -6.103
  725    HD3  PRO  90           2HD      PRO  90   6.283  16.572  -7.748
  726    H    GLN  91           H        GLN  91   1.720  18.433  -4.811
  727    HA   GLN  91           HA       GLN  91   2.551  20.920  -3.538
  728    HB2  GLN  91           1HB      GLN  91  -0.047  19.336  -3.315
  729    HB3  GLN  91           2HB      GLN  91   0.242  20.958  -2.707
  730    HG2  GLN  91           1HG      GLN  91  -0.896  21.356  -4.682
  731    HG3  GLN  91           2HG      GLN  91   0.780  21.673  -5.101
  732   HE21  GLN  91          1HE2      GLN  91  -0.346  21.419  -7.338
  733   HE22  GLN  91          2HE2      GLN  91  -0.380  19.784  -7.986
  734    H    ASP  92           H        ASP  92   3.163  17.789  -2.622
  735    HA   ASP  92           HA       ASP  92   3.371  18.432   0.280
  736    HB2  ASP  92           1HB      ASP  92   1.314  17.129  -0.060
  737    HB3  ASP  92           2HB      ASP  92   2.217  15.887  -0.919
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1 -30.440 -16.225 -23.485
    2    H2   GLY   1           2H       GLY   1 -29.375 -16.035 -22.253
    3    H3   GLY   1           3H       GLY   1 -29.013 -17.033 -23.498
    4    HA2  GLY   1           1HA      GLY   1 -28.922 -15.191 -25.040
    5    HA3  GLY   1           2HA      GLY   1 -29.333 -14.106 -23.698
    6    H    SER   2           H        SER   2 -27.027 -13.796 -25.285
    7    HA   SER   2           HA       SER   2 -24.661 -14.927 -24.148
    8    HB2  SER   2           1HB      SER   2 -24.990 -12.334 -25.701
    9    HB3  SER   2           2HB      SER   2 -23.474 -13.215 -25.430
   10    HG   SER   2           HG       SER   2 -24.416 -13.705 -27.474
   11    H    SER   3           H        SER   3 -23.085 -14.090 -22.779
   12    HA   SER   3           HA       SER   3 -23.978 -12.591 -20.521
   13    HB2  SER   3           1HB      SER   3 -21.141 -13.300 -21.350
   14    HB3  SER   3           2HB      SER   3 -21.669 -12.786 -19.736
   15    HG   SER   3           HG       SER   3 -21.511 -15.077 -19.920
   16    H    GLY   4           H        GLY   4 -23.520 -10.554 -19.765
   17    HA2  GLY   4           1HA      GLY   4 -21.611  -8.722 -20.714
   18    HA3  GLY   4           2HA      GLY   4 -23.104  -8.377 -21.587
   19    H    SER   5           H        SER   5 -21.734  -6.651 -19.726
   20    HA   SER   5           HA       SER   5 -23.971  -5.876 -18.017
   21    HB2  SER   5           1HB      SER   5 -22.666  -7.595 -16.655
   22    HB3  SER   5           2HB      SER   5 -21.300  -6.471 -16.689
   23    HG   SER   5           HG       SER   5 -23.893  -6.110 -15.551
   24    H    SER   6           H        SER   6 -23.541  -3.781 -16.929
   25    HA   SER   6           HA       SER   6 -21.331  -2.104 -17.876
   26    HB2  SER   6           1HB      SER   6 -22.769  -0.444 -18.976
   27    HB3  SER   6           2HB      SER   6 -22.847  -2.005 -19.800
   28    HG   SER   6           HG       SER   6 -24.927  -1.080 -19.520
   29    H    GLY   7           H        GLY   7 -21.524   0.164 -17.032
   30    HA2  GLY   7           1HA      GLY   7 -22.078   1.775 -15.476
   31    HA3  GLY   7           2HA      GLY   7 -23.447   0.799 -14.962
   32    H    LYS   8           H        LYS   8 -23.214  -0.620 -13.215
   33    HA   LYS   8           HA       LYS   8 -22.708  -0.889 -11.013
   34    HB2  LYS   8           1HB      LYS   8 -19.987  -1.477 -12.196
   35    HB3  LYS   8           2HB      LYS   8 -20.467  -1.807 -10.528
   36    HG2  LYS   8           1HG      LYS   8 -22.313  -3.259 -11.322
   37    HG3  LYS   8           2HG      LYS   8 -21.777  -3.006 -12.994
   38    HD2  LYS   8           1HD      LYS   8 -19.557  -4.003 -12.425
   39    HD3  LYS   8           2HD      LYS   8 -20.055  -4.142 -10.740
   40    HE2  LYS   8           1HE      LYS   8 -20.313  -6.299 -11.535
   41    HE3  LYS   8           2HE      LYS   8 -21.957  -5.661 -11.511
   42    HZ1  LYS   8           3HZ      LYS   8 -21.418  -6.859 -13.579
   43    HZ2  LYS   8           1HZ      LYS   8 -20.225  -5.805 -13.931
   44    HZ3  LYS   8           2HZ      LYS   8 -21.793  -5.326 -13.926
   45    HA   PRO   9           HA       PRO   9 -21.189   3.559 -10.807
   46    HB2  PRO   9           1HB      PRO   9 -23.325   4.474  -9.241
   47    HB3  PRO   9           2HB      PRO   9 -23.245   4.452 -11.014
   48    HG2  PRO   9           1HG      PRO   9 -24.564   2.438  -9.226
   49    HG3  PRO   9           2HG      PRO   9 -25.197   3.183 -10.723
   50    HD2  PRO   9           1HD      PRO   9 -24.064   0.726 -10.746
   51    HD3  PRO   9           2HD      PRO   9 -23.770   1.877 -12.080
   52    H    TYR  10           H        TYR  10 -22.311   1.414  -8.241
   53    HA   TYR  10           HA       TYR  10 -21.085   3.000  -6.111
   54    HB2  TYR  10           1HB      TYR  10 -22.459   0.295  -6.074
   55    HB3  TYR  10           2HB      TYR  10 -21.924   1.199  -4.657
   56    HD1  TYR  10           1HD      TYR  10 -24.348   1.069  -7.435
   57    HD2  TYR  10           2HD      TYR  10 -23.107   3.243  -3.926
   58    HE1  TYR  10           1HE      TYR  10 -26.489   2.290  -7.455
   59    HE2  TYR  10           2HE      TYR  10 -25.261   4.504  -3.958
   60    HH   TYR  10           HH       TYR  10 -27.791   3.897  -6.426
   61    H    LYS  11           H        LYS  11 -18.950   3.016  -6.180
   62    HA   LYS  11           HA       LYS  11 -17.379   0.550  -6.851
   63    HB2  LYS  11           1HB      LYS  11 -16.876   3.459  -7.428
   64    HB3  LYS  11           2HB      LYS  11 -15.720   2.158  -7.758
   65    HG2  LYS  11           1HG      LYS  11 -17.122   1.126  -9.375
   66    HG3  LYS  11           2HG      LYS  11 -18.559   2.019  -8.865
   67    HD2  LYS  11           1HD      LYS  11 -17.478   4.119  -9.554
   68    HD3  LYS  11           2HD      LYS  11 -16.143   3.177 -10.252
   69    HE2  LYS  11           1HE      LYS  11 -19.066   3.306 -11.099
   70    HE3  LYS  11           2HE      LYS  11 -17.666   3.856 -12.016
   71    HZ1  LYS  11           3HZ      LYS  11 -18.420   1.059 -11.418
   72    HZ2  LYS  11           1HZ      LYS  11 -16.985   1.462 -12.144
   73    HZ3  LYS  11           2HZ      LYS  11 -18.424   1.757 -12.878
   74    H    CYS  12           H        CYS  12 -15.504   0.021  -5.716
   75    HA   CYS  12           HA       CYS  12 -15.520   0.811  -2.956
   76    HB2  CYS  12           1HB      CYS  12 -15.214  -1.450  -3.699
   77    HB3  CYS  12           2HB      CYS  12 -13.726  -1.025  -4.552
   78    HA   PRO  13           HA       PRO  13 -12.314   3.992  -3.483
   79    HB2  PRO  13           1HB      PRO  13 -12.084   4.766  -0.873
   80    HB3  PRO  13           2HB      PRO  13 -13.497   5.179  -1.889
   81    HG2  PRO  13           1HG      PRO  13 -13.240   3.020   0.198
   82    HG3  PRO  13           2HG      PRO  13 -14.617   4.110  -0.118
   83    HD2  PRO  13           1HD      PRO  13 -14.387   1.486  -1.087
   84    HD3  PRO  13           2HD      PRO  13 -15.418   2.746  -1.817
   85    H    GLN  14           H        GLN  14 -12.061   0.918  -2.075
   86    HA   GLN  14           HA       GLN  14  -9.211   1.270  -1.253
   87    HB2  GLN  14           1HB      GLN  14 -11.104  -0.910  -0.343
   88    HB3  GLN  14           2HB      GLN  14  -9.553  -0.437   0.340
   89    HG2  GLN  14           1HG      GLN  14 -10.659   1.865   0.775
   90    HG3  GLN  14           2HG      GLN  14 -12.192   1.068   0.406
   91   HE21  GLN  14          1HE2      GLN  14  -9.378   0.837   2.680
   92   HE22  GLN  14          2HE2      GLN  14 -10.370   0.166   3.970
   93    H    CYS  15           H        CYS  15 -11.343  -0.675  -3.333
   94    HA   CYS  15           HA       CYS  15  -8.906  -1.675  -4.688
   95    HB2  CYS  15           1HB      CYS  15  -9.559  -3.981  -4.659
   96    HB3  CYS  15           2HB      CYS  15  -9.458  -3.391  -3.006
   97    H    SER  16           H        SER  16  -9.939  -3.310  -6.564
   98    HA   SER  16           HA       SER  16 -11.120  -1.424  -8.438
   99    HB2  SER  16           1HB      SER  16 -10.792  -3.267 -10.063
  100    HB3  SER  16           2HB      SER  16  -9.326  -2.860  -9.157
  101    HG   SER  16           HG       SER  16  -9.685  -5.137  -9.284
  102    H    TYR  17           H        TYR  17 -12.639  -3.270  -6.146
  103    HA   TYR  17           HA       TYR  17 -14.745  -4.576  -7.500
  104    HB2  TYR  17           1HB      TYR  17 -14.160  -4.992  -5.193
  105    HB3  TYR  17           2HB      TYR  17 -14.563  -3.343  -4.738
  106    HD1  TYR  17           1HD      TYR  17 -15.940  -6.603  -5.927
  107    HD2  TYR  17           2HD      TYR  17 -16.898  -2.738  -4.255
  108    HE1  TYR  17           1HE      TYR  17 -18.244  -7.394  -5.385
  109    HE2  TYR  17           2HE      TYR  17 -19.177  -3.547  -3.678
  110    HH   TYR  17           HH       TYR  17 -20.526  -5.398  -3.515
  111    H    ALA  18           H        ALA  18 -16.853  -4.105  -7.945
  112    HA   ALA  18           HA       ALA  18 -18.006  -1.497  -7.377
  113    HB1  ALA  18           1HB      ALA  18 -18.525  -0.936  -9.675
  114    HB2  ALA  18           2HB      ALA  18 -16.775  -1.180  -9.558
  115    HB3  ALA  18           3HB      ALA  18 -17.796  -2.447 -10.270
  116    H    SER  19           H        SER  19 -20.285  -1.428  -7.642
  117    HA   SER  19           HA       SER  19 -21.748  -3.860  -8.492
  118    HB2  SER  19           1HB      SER  19 -21.383  -4.067  -6.025
  119    HB3  SER  19           2HB      SER  19 -22.210  -2.512  -5.804
  120    HG   SER  19           HG       SER  19 -23.245  -4.996  -6.699
  121    H    ALA  20           H        ALA  20 -23.990  -3.483  -8.922
  122    HA   ALA  20           HA       ALA  20 -24.762  -0.736  -9.622
  123    HB1  ALA  20           1HB      ALA  20 -26.213  -3.384  -9.968
  124    HB2  ALA  20           2HB      ALA  20 -26.685  -1.823 -10.672
  125    HB3  ALA  20           3HB      ALA  20 -25.177  -2.597 -11.186
  126    H    ILE  21           H        ILE  21 -24.810  -2.410  -6.739
  127    HA   ILE  21           HA       ILE  21 -27.296  -1.035  -5.780
  128    HB   ILE  21           HB       ILE  21 -26.238  -3.740  -4.919
  129   HG12  ILE  21          1HG1      ILE  21 -28.634  -3.088  -6.701
  130   HG13  ILE  21          2HG1      ILE  21 -27.138  -3.861  -7.227
  131   HG21  ILE  21          1HG2      ILE  21 -28.379  -3.930  -3.678
  132   HG22  ILE  21          2HG2      ILE  21 -27.465  -2.548  -3.127
  133   HG23  ILE  21          3HG2      ILE  21 -28.842  -2.308  -4.223
  134   HD11  ILE  21          3HD1      ILE  21 -28.767  -5.568  -7.035
  135   HD12  ILE  21          1HD1      ILE  21 -27.615  -5.788  -5.704
  136   HD13  ILE  21          2HD1      ILE  21 -29.224  -5.080  -5.400
  137    H    LYS  22           H        LYS  22 -27.095   0.225  -4.054
  138    HA   LYS  22           HA       LYS  22 -24.648   1.011  -2.885
  139    HB2  LYS  22           1HB      LYS  22 -26.740   2.309  -2.978
  140    HB3  LYS  22           2HB      LYS  22 -27.457   1.269  -1.744
  141    HG2  LYS  22           1HG      LYS  22 -25.884   2.009  -0.075
  142    HG3  LYS  22           2HG      LYS  22 -24.854   2.799  -1.292
  143    HD2  LYS  22           1HD      LYS  22 -26.600   4.397  -1.820
  144    HD3  LYS  22           2HD      LYS  22 -27.728   3.631  -0.698
  145    HE2  LYS  22           1HE      LYS  22 -25.056   4.851   0.147
  146    HE3  LYS  22           2HE      LYS  22 -26.561   5.772   0.089
  147    HZ1  LYS  22           3HZ      LYS  22 -26.142   3.369   1.789
  148    HZ2  LYS  22           1HZ      LYS  22 -27.520   4.245   1.710
  149    HZ3  LYS  22           2HZ      LYS  22 -26.164   4.914   2.313
  150    H    ALA  23           H        ALA  23 -27.094  -1.214  -1.474
  151    HA   ALA  23           HA       ALA  23 -25.685  -1.762   0.914
  152    HB1  ALA  23           1HB      ALA  23 -27.636  -3.531  -0.635
  153    HB2  ALA  23           2HB      ALA  23 -27.195  -3.709   1.077
  154    HB3  ALA  23           3HB      ALA  23 -28.070  -2.263   0.538
  155    H    ASN  24           H        ASN  24 -25.220  -3.183  -2.312
  156    HA   ASN  24           HA       ASN  24 -23.491  -5.336  -1.345
  157    HB2  ASN  24           1HB      ASN  24 -24.346  -4.353  -4.066
  158    HB3  ASN  24           2HB      ASN  24 -22.978  -5.430  -3.911
  159   HD21  ASN  24          1HD2      ASN  24 -26.467  -5.229  -2.986
  160   HD22  ASN  24          2HD2      ASN  24 -26.673  -6.970  -3.036
  161    H    LEU  25           H        LEU  25 -22.967  -1.976  -2.121
  162    HA   LEU  25           HA       LEU  25 -20.035  -2.319  -2.047
  163    HB2  LEU  25           1HB      LEU  25 -20.964  -0.512  -3.369
  164    HB3  LEU  25           2HB      LEU  25 -21.789   0.156  -1.958
  165    HG   LEU  25           HG       LEU  25 -19.597   0.631  -0.884
  166   HD11  LEU  25          1HD1      LEU  25 -18.166  -1.083  -1.935
  167   HD12  LEU  25          2HD1      LEU  25 -17.537   0.532  -2.233
  168   HD13  LEU  25          3HD1      LEU  25 -18.408  -0.325  -3.527
  169   HD21  LEU  25          3HD2      LEU  25 -18.958   2.486  -2.316
  170   HD22  LEU  25          1HD2      LEU  25 -20.724   2.335  -2.275
  171   HD23  LEU  25          2HD2      LEU  25 -19.810   1.761  -3.689
  172    H    ASN  26           H        ASN  26 -22.619  -1.400   0.246
  173    HA   ASN  26           HA       ASN  26 -20.827  -0.679   2.398
  174    HB2  ASN  26           1HB      ASN  26 -23.776  -1.445   2.314
  175    HB3  ASN  26           2HB      ASN  26 -22.934  -1.104   3.823
  176   HD21  ASN  26          1HD2      ASN  26 -23.529   0.349   0.599
  177   HD22  ASN  26          2HD2      ASN  26 -23.508   2.004   1.208
  178    H    VAL  27           H        VAL  27 -22.414  -3.777   1.581
  179    HA   VAL  27           HA       VAL  27 -21.370  -5.269   3.779
  180    HB   VAL  27           HB       VAL  27 -23.188  -5.868   2.129
  181   HG11  VAL  27          1HG1      VAL  27 -22.739  -7.080   0.167
  182   HG12  VAL  27          2HG1      VAL  27 -21.886  -5.525   0.109
  183   HG13  VAL  27          3HG1      VAL  27 -20.984  -7.026   0.442
  184   HG21  VAL  27          3HG2      VAL  27 -22.391  -7.410   3.885
  185   HG22  VAL  27          1HG2      VAL  27 -22.859  -8.280   2.412
  186   HG23  VAL  27          2HG2      VAL  27 -21.138  -8.017   2.780
  187    H    HIS  28           H        HIS  28 -19.942  -4.311   0.738
  188    HA   HIS  28           HA       HIS  28 -17.851  -6.270   0.727
  189    HB2  HIS  28           1HB      HIS  28 -18.743  -5.411  -1.292
  190    HB3  HIS  28           2HB      HIS  28 -18.406  -3.742  -0.852
  191    HD1  HIS  28           1HD      HIS  28 -16.439  -6.786  -2.108
  192    HD2  HIS  28           2HD      HIS  28 -15.966  -2.741  -1.062
  193    HE1  HIS  28           1HE      HIS  28 -14.044  -6.191  -2.698
  194    H    LEU  29           H        LEU  29 -17.959  -2.868   1.753
  195    HA   LEU  29           HA       LEU  29 -15.172  -2.510   2.244
  196    HB2  LEU  29           1HB      LEU  29 -17.561  -1.268   3.648
  197    HB3  LEU  29           2HB      LEU  29 -15.908  -0.662   3.746
  198    HG   LEU  29           HG       LEU  29 -17.422  -0.819   1.113
  199   HD11  LEU  29          1HD1      LEU  29 -18.650   0.632   2.682
  200   HD12  LEU  29          2HD1      LEU  29 -17.887   1.572   1.391
  201   HD13  LEU  29          3HD1      LEU  29 -17.158   1.541   3.014
  202   HD21  LEU  29          3HD2      LEU  29 -15.817   0.874   0.394
  203   HD22  LEU  29          1HD2      LEU  29 -14.987  -0.616   0.862
  204   HD23  LEU  29          2HD2      LEU  29 -14.981   0.786   1.956
  205    H    ARG  30           H        ARG  30 -17.498  -4.338   4.047
  206    HA   ARG  30           HA       ARG  30 -16.309  -4.443   6.626
  207    HB2  ARG  30           1HB      ARG  30 -17.834  -6.621   5.133
  208    HB3  ARG  30           2HB      ARG  30 -17.551  -6.581   6.860
  209    HG2  ARG  30           1HG      ARG  30 -18.884  -4.530   7.101
  210    HG3  ARG  30           2HG      ARG  30 -19.147  -4.467   5.350
  211    HD2  ARG  30           1HD      ARG  30 -20.301  -6.652   5.425
  212    HD3  ARG  30           2HD      ARG  30 -20.059  -6.711   7.187
  213    HE   ARG  30           HE       ARG  30 -21.357  -4.257   6.496
  214   HH11  ARG  30          2HH1      ARG  30 -22.140  -7.667   6.711
  215   HH12  ARG  30          1HH1      ARG  30 -23.834  -7.355   6.970
  216   HH21  ARG  30          2HH2      ARG  30 -23.529  -3.931   6.851
  217   HH22  ARG  30          1HH2      ARG  30 -24.592  -5.293   7.045
  218    H    LYS  31           H        LYS  31 -15.283  -5.959   3.668
  219    HA   LYS  31           HA       LYS  31 -13.549  -8.011   4.824
  220    HB2  LYS  31           1HB      LYS  31 -13.475  -6.696   2.070
  221    HB3  LYS  31           2HB      LYS  31 -12.689  -8.215   2.528
  222    HG2  LYS  31           1HG      LYS  31 -14.910  -9.244   2.923
  223    HG3  LYS  31           2HG      LYS  31 -15.690  -7.704   2.509
  224    HD2  LYS  31           1HD      LYS  31 -14.343  -7.871   0.270
  225    HD3  LYS  31           2HD      LYS  31 -14.184  -9.591   0.666
  226    HE2  LYS  31           1HE      LYS  31 -16.772  -7.997   0.622
  227    HE3  LYS  31           2HE      LYS  31 -16.176  -8.910  -0.777
  228    HZ1  LYS  31           3HZ      LYS  31 -16.325 -10.948   0.562
  229    HZ2  LYS  31           1HZ      LYS  31 -17.786 -10.235   0.467
  230    HZ3  LYS  31           2HZ      LYS  31 -16.915 -10.120   1.842
  231    H    HIS  32           H        HIS  32 -13.118  -4.695   3.778
  232    HA   HIS  32           HA       HIS  32 -10.223  -4.721   3.936
  233    HB2  HIS  32           1HB      HIS  32 -12.218  -2.471   3.566
  234    HB3  HIS  32           2HB      HIS  32 -10.477  -2.322   3.360
  235    HD1  HIS  32           1HD      HIS  32  -9.672  -4.592   1.483
  236    HD2  HIS  32           2HD      HIS  32 -13.237  -2.387   1.183
  237    HE1  HIS  32           1HE      HIS  32 -10.397  -4.791  -0.934
  238    H    THR  33           H        THR  33 -12.324  -4.642   6.523
  239    HA   THR  33           HA       THR  33 -11.201  -2.463   8.067
  240    HB   THR  33           HB       THR  33 -12.551  -3.342   9.908
  241    HG1  THR  33           1HG      THR  33 -13.816  -5.193   9.521
  242   HG21  THR  33          3HG2      THR  33 -13.637  -1.949   8.152
  243   HG22  THR  33          1HG2      THR  33 -14.753  -3.093   8.919
  244   HG23  THR  33          2HG2      THR  33 -14.114  -3.427   7.295
  245    H    GLY  34           H        GLY  34 -10.410  -2.852  10.345
  246    HA2  GLY  34           1HA      GLY  34  -8.884  -3.754  11.858
  247    HA3  GLY  34           2HA      GLY  34  -8.681  -5.164  10.822
  248    H    GLU  35           H        GLU  35  -6.387  -4.683  11.638
  249    HA   GLU  35           HA       GLU  35  -4.973  -2.490  10.277
  250    HB2  GLU  35           1HB      GLU  35  -4.143  -4.606  12.261
  251    HB3  GLU  35           2HB      GLU  35  -2.944  -3.648  11.365
  252    HG2  GLU  35           1HG      GLU  35  -3.876  -1.567  12.122
  253    HG3  GLU  35           2HG      GLU  35  -5.235  -2.379  12.883
  254    H    LYS  36           H        LYS  36  -5.210  -2.757   8.245
  255    HA   LYS  36           HA       LYS  36  -3.787  -5.036   6.915
  256    HB2  LYS  36           1HB      LYS  36  -6.048  -3.334   5.801
  257    HB3  LYS  36           2HB      LYS  36  -5.090  -4.526   4.901
  258    HG2  LYS  36           1HG      LYS  36  -5.746  -6.161   6.848
  259    HG3  LYS  36           2HG      LYS  36  -7.034  -5.006   7.186
  260    HD2  LYS  36           1HD      LYS  36  -8.016  -5.357   4.979
  261    HD3  LYS  36           2HD      LYS  36  -6.568  -6.210   4.424
  262    HE2  LYS  36           1HE      LYS  36  -8.014  -7.970   4.838
  263    HE3  LYS  36           2HE      LYS  36  -6.981  -7.919   6.266
  264    HZ1  LYS  36           3HZ      LYS  36  -9.794  -7.020   6.024
  265    HZ2  LYS  36           1HZ      LYS  36  -8.884  -6.545   7.301
  266    HZ3  LYS  36           2HZ      LYS  36  -9.197  -8.136   7.043
  267    H    PHE  37           H        PHE  37  -1.956  -4.689   6.228
  268    HA   PHE  37           HA       PHE  37  -0.887  -1.985   5.657
  269    HB2  PHE  37           1HB      PHE  37   0.462  -4.676   6.130
  270    HB3  PHE  37           2HB      PHE  37   1.278  -3.137   5.934
  271    HD1  PHE  37           1HD      PHE  37  -0.874  -5.127   8.214
  272    HD2  PHE  37           2HD      PHE  37   1.433  -1.516   7.737
  273    HE1  PHE  37           1HE      PHE  37  -0.972  -4.744  10.658
  274    HE2  PHE  37           2HE      PHE  37   1.328  -1.134  10.179
  275    HZ   PHE  37           HZ       PHE  37   0.119  -2.739  11.651
  276    H    ALA  38           H        ALA  38  -1.252  -1.425   3.586
  277    HA   ALA  38           HA       ALA  38  -1.369  -3.422   1.439
  278    HB1  ALA  38           1HB      ALA  38  -1.896  -0.425   1.392
  279    HB2  ALA  38           2HB      ALA  38  -2.296  -1.587   0.116
  280    HB3  ALA  38           3HB      ALA  38  -3.127  -1.678   1.686
  281    H    CYS  39           H        CYS  39  -0.154  -3.529  -0.433
  282    HA   CYS  39           HA       CYS  39   2.535  -2.482  -0.416
  283    HB2  CYS  39           1HB      CYS  39   1.833  -4.614  -1.284
  284    HB3  CYS  39           2HB      CYS  39   0.833  -3.833  -2.512
  285    H    ASP  40           H        ASP  40   3.451  -0.903  -1.510
  286    HA   ASP  40           HA       ASP  40   1.760   1.296  -2.527
  287    HB2  ASP  40           1HB      ASP  40   3.682   1.657  -0.934
  288    HB3  ASP  40           2HB      ASP  40   4.782   1.150  -2.213
  289    H    TYR  41           H        TYR  41   3.094  -1.501  -3.799
  290    HA   TYR  41           HA       TYR  41   3.646  -0.326  -6.505
  291    HB2  TYR  41           1HB      TYR  41   4.814  -2.787  -5.156
  292    HB3  TYR  41           2HB      TYR  41   5.112  -2.276  -6.802
  293    HD1  TYR  41           2HD      TYR  41   5.546  -1.481  -3.229
  294    HD2  TYR  41           1HD      TYR  41   6.747  -0.518  -7.252
  295    HE1  TYR  41           2HE      TYR  41   7.466  -0.131  -2.339
  296    HE2  TYR  41           1HE      TYR  41   8.676   0.792  -6.379
  297    HH   TYR  41           HH       TYR  41   9.788   1.526  -4.511
  298    H    CYS  42           H        CYS  42   1.840  -2.805  -4.755
  299    HA   CYS  42           HA       CYS  42   0.228  -3.178  -7.201
  300    HB2  CYS  42           1HB      CYS  42   0.135  -5.596  -7.048
  301    HB3  CYS  42           2HB      CYS  42   1.782  -5.033  -7.341
  302    H    SER  43           H        SER  43  -1.684  -4.814  -6.544
  303    HA   SER  43           HA       SER  43  -3.268  -3.448  -4.538
  304    HB2  SER  43           1HB      SER  43  -3.892  -5.982  -6.094
  305    HB3  SER  43           2HB      SER  43  -5.051  -4.956  -5.226
  306    HG   SER  43           HG       SER  43  -4.999  -4.501  -7.481
  307    H    PHE  44           H        PHE  44  -0.851  -5.550  -3.907
  308    HA   PHE  44           HA       PHE  44  -1.974  -7.587  -2.308
  309    HB2  PHE  44           1HB      PHE  44   0.250  -7.688  -3.119
  310    HB3  PHE  44           2HB      PHE  44   0.728  -6.240  -2.269
  311    HD1  PHE  44           2HD      PHE  44  -0.029  -9.850  -1.913
  312    HD2  PHE  44           1HD      PHE  44   1.334  -6.282   0.097
  313    HE1  PHE  44           2HE      PHE  44   0.823 -11.226  -0.026
  314    HE2  PHE  44           1HE      PHE  44   2.197  -7.661   1.963
  315    HZ   PHE  44           HZ       PHE  44   1.945 -10.137   1.908
  316    H    THR  45           H        THR  45  -2.188  -7.858  -0.131
  317    HA   THR  45           HA       THR  45  -1.673  -5.678   1.762
  318    HB   THR  45           HB       THR  45  -3.861  -6.047   2.888
  319    HG1  THR  45           1HG      THR  45  -4.475  -7.985   1.799
  320   HG21  THR  45          3HG2      THR  45  -4.020  -4.900   0.086
  321   HG22  THR  45          1HG2      THR  45  -3.469  -4.078   1.570
  322   HG23  THR  45          2HG2      THR  45  -5.160  -4.588   1.422
  323    H    CYS  46           H        CYS  46  -1.347  -6.305   3.840
  324    HA   CYS  46           HA       CYS  46  -1.628  -9.171   4.579
  325    HB2  CYS  46           1HB      CYS  46   0.730  -8.611   3.631
  326    HB3  CYS  46           2HB      CYS  46   0.975  -7.714   5.140
  327    HG   CYS  46           HG       CYS  46   0.142 -10.904   4.638
  328    H    LEU  47           H        LEU  47  -1.149  -9.496   6.954
  329    HA   LEU  47           HA       LEU  47  -2.471  -7.355   8.500
  330    HB2  LEU  47           1HB      LEU  47  -2.765 -10.172   8.410
  331    HB3  LEU  47           2HB      LEU  47  -1.969  -9.852   9.941
  332    HG   LEU  47           HG       LEU  47  -3.787  -8.118  10.419
  333   HD11  LEU  47          1HD1      LEU  47  -5.877  -8.287   9.112
  334   HD12  LEU  47          2HD1      LEU  47  -5.114  -9.456   8.007
  335   HD13  LEU  47          3HD1      LEU  47  -4.551  -7.776   8.060
  336   HD21  LEU  47          3HD2      LEU  47  -4.686 -10.990   9.933
  337   HD22  LEU  47          1HD2      LEU  47  -5.486  -9.809  10.996
  338   HD23  LEU  47          2HD2      LEU  47  -3.856 -10.383  11.383
  339    H    SER  48           H        SER  48   0.608  -7.716   7.785
  340    HA   SER  48           HA       SER  48   1.483  -6.347  10.255
  341    HB2  SER  48           1HB      SER  48   2.083  -8.655  10.742
  342    HB3  SER  48           2HB      SER  48   2.862  -8.824   9.157
  343    HG   SER  48           HG       SER  48   4.275  -8.326  11.015
  344    H    LYS  49           H        LYS  49   2.756  -4.762   9.928
  345    HA   LYS  49           HA       LYS  49   3.676  -3.754   7.425
  346    HB2  LYS  49           1HB      LYS  49   5.313  -2.500   9.008
  347    HB3  LYS  49           2HB      LYS  49   3.599  -2.118   9.018
  348    HG2  LYS  49           1HG      LYS  49   3.309  -3.448  11.090
  349    HG3  LYS  49           2HG      LYS  49   5.034  -3.876  11.057
  350    HD2  LYS  49           1HD      LYS  49   5.653  -1.518  11.361
  351    HD3  LYS  49           2HD      LYS  49   3.974  -1.016  11.140
  352    HE2  LYS  49           1HE      LYS  49   4.402  -0.911  13.471
  353    HE3  LYS  49           2HE      LYS  49   3.319  -2.273  13.183
  354    HZ1  LYS  49           3HZ      LYS  49   6.258  -2.489  13.616
  355    HZ2  LYS  49           1HZ      LYS  49   5.249  -3.760  13.392
  356    HZ3  LYS  49           2HZ      LYS  49   5.121  -2.839  14.729
  357    H    GLY  50           H        GLY  50   5.171  -6.034   9.679
  358    HA2  GLY  50           1HA      GLY  50   7.837  -5.966   8.531
  359    HA3  GLY  50           2HA      GLY  50   7.147  -7.209   9.582
  360    H    HIS  51           H        HIS  51   4.973  -8.107   8.043
  361    HA   HIS  51           HA       HIS  51   6.227  -9.696   5.962
  362    HB2  HIS  51           1HB      HIS  51   3.307  -9.232   6.632
  363    HB3  HIS  51           2HB      HIS  51   3.922 -10.457   5.518
  364    HD1  HIS  51           1HD      HIS  51   2.242 -11.328   8.040
  365    HD2  HIS  51           2HD      HIS  51   6.440 -11.153   7.783
  366    HE1  HIS  51           1HE      HIS  51   3.134 -12.909   9.832
  367    H    LEU  52           H        LEU  52   4.211  -6.723   5.896
  368    HA   LEU  52           HA       LEU  52   4.077  -6.470   3.062
  369    HB2  LEU  52           1HB      LEU  52   2.694  -5.106   4.514
  370    HB3  LEU  52           2HB      LEU  52   4.116  -4.408   5.295
  371    HG   LEU  52           HG       LEU  52   4.772  -3.300   3.177
  372   HD11  LEU  52          1HD1      LEU  52   3.736  -4.848   1.538
  373   HD12  LEU  52          2HD1      LEU  52   3.197  -3.191   1.339
  374   HD13  LEU  52          3HD1      LEU  52   2.119  -4.372   2.116
  375   HD21  LEU  52          3HD2      LEU  52   1.908  -2.645   3.869
  376   HD22  LEU  52          1HD2      LEU  52   3.136  -1.575   3.183
  377   HD23  LEU  52          2HD2      LEU  52   3.316  -2.152   4.848
  378    H    LYS  53           H        LYS  53   6.664  -5.329   5.357
  379    HA   LYS  53           HA       LYS  53   8.352  -4.175   3.364
  380    HB2  LYS  53           1HB      LYS  53   8.804  -3.654   5.607
  381    HB3  LYS  53           2HB      LYS  53   8.717  -5.331   6.131
  382    HG2  LYS  53           1HG      LYS  53  10.830  -5.858   5.029
  383    HG3  LYS  53           2HG      LYS  53  10.969  -4.192   4.424
  384    HD2  LYS  53           1HD      LYS  53  11.286  -3.326   6.645
  385    HD3  LYS  53           2HD      LYS  53  10.597  -4.780   7.381
  386    HE2  LYS  53           1HE      LYS  53  12.854  -5.003   7.797
  387    HE3  LYS  53           2HE      LYS  53  12.500  -6.113   6.468
  388    HZ1  LYS  53           3HZ      LYS  53  14.572  -4.773   6.166
  389    HZ2  LYS  53           1HZ      LYS  53  13.693  -3.404   6.093
  390    HZ3  LYS  53           2HZ      LYS  53  13.556  -4.551   4.926
  391    H    VAL  54           H        VAL  54   8.319  -7.551   4.666
  392    HA   VAL  54           HA       VAL  54  10.341  -8.527   2.946
  393    HB   VAL  54           HB       VAL  54   7.968 -10.010   4.135
  394   HG11  VAL  54          1HG1      VAL  54   9.432 -12.057   3.776
  395   HG12  VAL  54          2HG1      VAL  54   8.733 -11.381   2.307
  396   HG13  VAL  54          3HG1      VAL  54  10.443 -11.064   2.691
  397   HG21  VAL  54          3HG2      VAL  54   9.606 -10.780   5.766
  398   HG22  VAL  54          1HG2      VAL  54  10.909  -9.904   4.922
  399   HG23  VAL  54          2HG2      VAL  54   9.614  -9.014   5.742
  400    H    HIS  55           H        HIS  55   6.806  -8.361   2.285
  401    HA   HIS  55           HA       HIS  55   6.850  -9.511  -0.280
  402    HB2  HIS  55           1HB      HIS  55   4.756  -9.058   0.825
  403    HB3  HIS  55           2HB      HIS  55   5.101  -7.335   0.931
  404    HD1  HIS  55           1HD      HIS  55   4.066  -9.933  -1.711
  405    HD2  HIS  55           2HD      HIS  55   4.487  -5.794  -1.116
  406    HE1  HIS  55           1HE      HIS  55   3.084  -8.834  -3.775
  407    H    ILE  56           H        ILE  56   7.391  -6.032   0.541
  408    HA   ILE  56           HA       ILE  56   7.867  -5.319  -2.238
  409    HB   ILE  56           HB       ILE  56   8.490  -3.886   0.351
  410   HG12  ILE  56          1HG1      ILE  56   6.261  -3.374  -1.670
  411   HG13  ILE  56          2HG1      ILE  56   6.043  -4.331  -0.210
  412   HG21  ILE  56          1HG2      ILE  56   9.976  -3.108  -1.501
  413   HG22  ILE  56          2HG2      ILE  56   8.541  -2.824  -2.515
  414   HG23  ILE  56          3HG2      ILE  56   8.819  -1.864  -1.048
  415   HD11  ILE  56          3HD1      ILE  56   5.204  -2.126   0.190
  416   HD12  ILE  56          1HD1      ILE  56   6.641  -2.395   1.196
  417   HD13  ILE  56          2HD1      ILE  56   6.743  -1.381  -0.267
  418    H    GLU  57           H        GLU  57  10.006  -6.211   0.442
  419    HA   GLU  57           HA       GLU  57  12.521  -5.757  -0.860
  420    HB2  GLU  57           1HB      GLU  57  11.648  -7.573   1.409
  421    HB3  GLU  57           2HB      GLU  57  13.322  -7.328   0.996
  422    HG2  GLU  57           1HG      GLU  57  11.683  -4.851   1.537
  423    HG3  GLU  57           2HG      GLU  57  12.022  -5.942   2.874
  424    H    ARG  58           H        ARG  58  10.236  -8.265  -1.333
  425    HA   ARG  58           HA       ARG  58  12.279  -9.943  -2.773
  426    HB2  ARG  58           1HB      ARG  58  11.185 -11.880  -2.197
  427    HB3  ARG  58           2HB      ARG  58  11.010 -10.876  -0.778
  428    HG2  ARG  58           1HG      ARG  58   8.677 -10.274  -1.611
  429    HG3  ARG  58           2HG      ARG  58   8.892 -11.556  -2.826
  430    HD2  ARG  58           1HD      ARG  58   9.344 -13.156  -0.932
  431    HD3  ARG  58           2HD      ARG  58   8.972 -11.830   0.195
  432    HE   ARG  58           HE       ARG  58   6.836 -12.244  -1.717
  433   HH11  ARG  58          2HH1      ARG  58   8.117 -13.669   1.216
  434   HH12  ARG  58          1HH1      ARG  58   6.574 -14.331   1.678
  435   HH21  ARG  58          2HH2      ARG  58   4.901 -13.155  -1.081
  436   HH22  ARG  58          1HH2      ARG  58   4.811 -14.045   0.407
  437    H    VAL  59           H        VAL  59   9.012  -8.559  -3.164
  438    HA   VAL  59           HA       VAL  59   8.931  -9.636  -5.872
  439    HB   VAL  59           HB       VAL  59   6.844  -7.920  -4.478
  440   HG11  VAL  59          1HG1      VAL  59   6.597  -7.871  -6.935
  441   HG12  VAL  59          2HG1      VAL  59   6.666  -9.645  -6.985
  442   HG13  VAL  59          3HG1      VAL  59   5.309  -8.815  -6.195
  443   HG21  VAL  59          3HG2      VAL  59   5.606 -10.105  -4.266
  444   HG22  VAL  59          1HG2      VAL  59   7.083 -10.947  -4.780
  445   HG23  VAL  59          2HG2      VAL  59   7.048 -10.012  -3.266
  446    H    HIS  60           H        HIS  60   8.958  -6.393  -4.346
  447    HA   HIS  60           HA       HIS  60   9.315  -5.120  -6.995
  448    HB2  HIS  60           1HB      HIS  60   8.406  -3.861  -4.424
  449    HB3  HIS  60           2HB      HIS  60   8.312  -3.174  -6.038
  450    HD1  HIS  60           1HD      HIS  60   6.541  -4.656  -7.757
  451    HD2  HIS  60           2HD      HIS  60   6.305  -5.077  -3.584
  452    HE1  HIS  60           1HE      HIS  60   4.223  -5.592  -7.286
  453    H    LYS  61           H        LYS  61  11.511  -6.251  -5.235
  454    HA   LYS  61           HA       LYS  61  13.162  -4.043  -4.380
  455    HB2  LYS  61           1HB      LYS  61  13.204  -6.300  -3.467
  456    HB3  LYS  61           2HB      LYS  61  13.850  -6.958  -4.954
  457    HG2  LYS  61           1HG      LYS  61  15.243  -4.851  -3.221
  458    HG3  LYS  61           2HG      LYS  61  15.452  -6.582  -3.012
  459    HD2  LYS  61           1HD      LYS  61  16.366  -4.937  -5.393
  460    HD3  LYS  61           2HD      LYS  61  17.348  -5.742  -4.175
  461    HE2  LYS  61           1HE      LYS  61  16.378  -7.952  -4.942
  462    HE3  LYS  61           2HE      LYS  61  15.577  -7.086  -6.262
  463    HZ1  LYS  61           3HZ      LYS  61  18.519  -7.191  -5.832
  464    HZ2  LYS  61           1HZ      LYS  61  17.778  -6.392  -7.054
  465    HZ3  LYS  61           2HZ      LYS  61  17.703  -8.020  -6.974
  466    H    LYS  62           H        LYS  62  14.213  -2.667  -5.563
  467    HA   LYS  62           HA       LYS  62  14.908  -1.479  -7.342
  468    HB2  LYS  62           1HB      LYS  62  16.874  -3.034  -6.747
  469    HB3  LYS  62           2HB      LYS  62  16.454  -3.949  -8.188
  470    HG2  LYS  62           1HG      LYS  62  18.221  -2.499  -8.792
  471    HG3  LYS  62           2HG      LYS  62  16.788  -1.781  -9.523
  472    HD2  LYS  62           1HD      LYS  62  16.672  -0.123  -7.660
  473    HD3  LYS  62           2HD      LYS  62  18.084  -0.895  -6.904
  474    HE2  LYS  62           1HE      LYS  62  19.384  -0.421  -9.018
  475    HE3  LYS  62           2HE      LYS  62  17.981   0.465  -9.633
  476    HZ1  LYS  62           3HZ      LYS  62  18.186   1.981  -7.728
  477    HZ2  LYS  62           1HZ      LYS  62  19.551   1.977  -8.600
  478    HZ3  LYS  62           2HZ      LYS  62  19.504   1.167  -7.177
  479    H    ILE  63           H        ILE  63  12.484  -2.138  -7.762
  480    HA   ILE  63           HA       ILE  63  11.993  -3.246 -10.422
  481    HB   ILE  63           HB       ILE  63  10.456  -3.487  -8.488
  482   HG12  ILE  63          1HG1      ILE  63   9.127  -2.203 -10.899
  483   HG13  ILE  63          2HG1      ILE  63   9.761  -3.855 -10.855
  484   HG21  ILE  63          1HG2      ILE  63   9.598  -0.624  -9.045
  485   HG22  ILE  63          2HG2      ILE  63   9.008  -1.706  -7.775
  486   HG23  ILE  63          3HG2      ILE  63  10.650  -1.078  -7.689
  487   HD11  ILE  63          3HD1      ILE  63   7.496  -2.736  -9.151
  488   HD12  ILE  63          1HD1      ILE  63   7.368  -3.886 -10.489
  489   HD13  ILE  63          2HD1      ILE  63   8.183  -4.375  -8.992
  490    H    LYS  64           H        LYS  64  11.017  -2.094 -12.173
  491    HA   LYS  64           HA       LYS  64  12.120   0.594 -12.683
  492    HB2  LYS  64           1HB      LYS  64  10.366  -1.246 -14.364
  493    HB3  LYS  64           2HB      LYS  64  11.026   0.286 -14.924
  494    HG2  LYS  64           1HG      LYS  64  12.740  -2.081 -14.037
  495    HG3  LYS  64           2HG      LYS  64  12.256  -1.754 -15.700
  496    HD2  LYS  64           1HD      LYS  64  13.428   0.415 -15.662
  497    HD3  LYS  64           2HD      LYS  64  13.940   0.125 -13.983
  498    HE2  LYS  64           1HE      LYS  64  15.196  -1.851 -14.630
  499    HE3  LYS  64           2HE      LYS  64  14.581  -1.766 -16.286
  500    HZ1  LYS  64           3HZ      LYS  64  16.845  -0.826 -16.041
  501    HZ2  LYS  64           1HZ      LYS  64  16.273   0.350 -15.053
  502    HZ3  LYS  64           2HZ      LYS  64  15.792   0.285 -16.609
  503    H    GLN  65           H        GLN  65  10.956   2.394 -13.196
  504    HA   GLN  65           HA       GLN  65   8.057   2.576 -12.476
  505    HB2  GLN  65           1HB      GLN  65  10.291   4.581 -11.856
  506    HB3  GLN  65           2HB      GLN  65   8.572   4.874 -11.708
  507    HG2  GLN  65           1HG      GLN  65   9.389   4.553  -9.561
  508    HG3  GLN  65           2HG      GLN  65   8.344   3.192  -9.970
  509   HE21  GLN  65          1HE2      GLN  65  11.814   3.289 -11.038
  510   HE22  GLN  65          2HE2      GLN  65  12.221   1.950  -9.970
  511    H    HIS  66           H        HIS  66   6.985   4.446 -13.627
  512    HA   HIS  66           HA       HIS  66   8.577   5.676 -15.749
  513    HB2  HIS  66           1HB      HIS  66   7.166   5.223 -17.568
  514    HB3  HIS  66           2HB      HIS  66   7.524   3.676 -16.822
  515    HD1  HIS  66           1HD      HIS  66   5.392   2.371 -15.744
  516    HD2  HIS  66           2HD      HIS  66   4.635   6.142 -17.443
  517    HE1  HIS  66           1HE      HIS  66   2.859   2.565 -15.950
  518    H    CYS  67           H        CYS  67   7.867   7.612 -16.542
  519    HA   CYS  67           HA       CYS  67   6.445   9.315 -14.712
  520    HB2  CYS  67           1HB      CYS  67   8.446   9.915 -16.018
  521    HB3  CYS  67           2HB      CYS  67   7.535   9.700 -17.520
  522    H    ARG  68           H        ARG  68   4.407   9.937 -14.650
  523    HA   ARG  68           HA       ARG  68   2.478   8.898 -16.595
  524    HB2  ARG  68           1HB      ARG  68   0.757   9.628 -15.115
  525    HB3  ARG  68           2HB      ARG  68   2.002   8.767 -14.246
  526    HG2  ARG  68           1HG      ARG  68   1.390  10.503 -12.817
  527    HG3  ARG  68           2HG      ARG  68   2.940  11.001 -13.471
  528    HD2  ARG  68           1HD      ARG  68   1.387  12.878 -13.307
  529    HD3  ARG  68           2HD      ARG  68   1.809  12.575 -14.993
  530    HE   ARG  68           HE       ARG  68  -0.641  11.224 -14.152
  531   HH11  ARG  68          2HH1      ARG  68   0.541  14.308 -15.307
  532   HH12  ARG  68          1HH1      ARG  68  -0.997  14.738 -16.012
  533   HH21  ARG  68          2HH2      ARG  68  -2.574  11.834 -15.069
  534   HH22  ARG  68          1HH2      ARG  68  -2.714  13.374 -15.860
  535    H    PHE  69           H        PHE  69   4.371  11.608 -16.703
  536    HA   PHE  69           HA       PHE  69   2.384  13.212 -18.263
  537    HB2  PHE  69           1HB      PHE  69   5.145  13.910 -17.280
  538    HB3  PHE  69           2HB      PHE  69   4.065  14.991 -18.130
  539    HD1  PHE  69           1HD      PHE  69   4.824  13.361 -14.910
  540    HD2  PHE  69           2HD      PHE  69   2.150  16.023 -16.997
  541    HE1  PHE  69           1HE      PHE  69   3.962  14.203 -12.737
  542    HE2  PHE  69           2HE      PHE  69   1.301  16.873 -14.822
  543    HZ   PHE  69           HZ       PHE  69   2.207  15.964 -12.690
  544    H    CYS  70           H        CYS  70   5.589  11.623 -18.627
  545    HA   CYS  70           HA       CYS  70   5.409  12.015 -21.575
  546    HB2  CYS  70           1HB      CYS  70   7.673  12.635 -21.741
  547    HB3  CYS  70           2HB      CYS  70   6.830  13.720 -20.642
  548    H    LYS  71           H        LYS  71   5.347   9.615 -19.407
  549    HA   LYS  71           HA       LYS  71   5.727   7.392 -19.394
  550    HB2  LYS  71           1HB      LYS  71   5.810   7.653 -22.411
  551    HB3  LYS  71           2HB      LYS  71   5.527   6.173 -21.518
  552    HG2  LYS  71           1HG      LYS  71   3.706   8.622 -21.458
  553    HG3  LYS  71           2HG      LYS  71   3.465   7.204 -22.460
  554    HD2  LYS  71           1HD      LYS  71   3.455   7.162 -19.407
  555    HD3  LYS  71           2HD      LYS  71   2.029   7.246 -20.445
  556    HE2  LYS  71           1HE      LYS  71   2.717   5.098 -21.537
  557    HE3  LYS  71           2HE      LYS  71   4.055   4.964 -20.389
  558    HZ1  LYS  71           3HZ      LYS  71   2.075   3.709 -19.688
  559    HZ2  LYS  71           1HZ      LYS  71   1.186   5.073 -19.611
  560    HZ3  LYS  71           2HZ      LYS  71   2.446   4.846 -18.584
  561    H    LYS  72           H        LYS  72   8.219   9.231 -19.610
  562    HA   LYS  72           HA       LYS  72  10.368   7.554 -20.515
  563    HB2  LYS  72           1HB      LYS  72  10.392  10.084 -20.051
  564    HB3  LYS  72           2HB      LYS  72  10.450   9.694 -18.345
  565    HG2  LYS  72           1HG      LYS  72  12.578   8.513 -18.627
  566    HG3  LYS  72           2HG      LYS  72  12.488   8.681 -20.389
  567    HD2  LYS  72           1HD      LYS  72  12.747  11.092 -20.250
  568    HD3  LYS  72           2HD      LYS  72  12.613  11.059 -18.485
  569    HE2  LYS  72           1HE      LYS  72  14.655   9.543 -18.444
  570    HE3  LYS  72           2HE      LYS  72  14.839   9.839 -20.179
  571    HZ1  LYS  72           3HZ      LYS  72  16.192  11.372 -18.874
  572    HZ2  LYS  72           1HZ      LYS  72  14.890  11.898 -18.041
  573    HZ3  LYS  72           2HZ      LYS  72  15.035  12.231 -19.643
  574    H    LYS  73           H        LYS  73  11.517   5.952 -19.483
  575    HA   LYS  73           HA       LYS  73  10.411   4.890 -16.954
  576    HB2  LYS  73           1HB      LYS  73  12.283   3.733 -19.033
  577    HB3  LYS  73           2HB      LYS  73  12.043   2.975 -17.448
  578    HG2  LYS  73           1HG      LYS  73   9.626   2.833 -17.813
  579    HG3  LYS  73           2HG      LYS  73   9.788   3.625 -19.390
  580    HD2  LYS  73           1HD      LYS  73  11.150   1.745 -20.220
  581    HD3  LYS  73           2HD      LYS  73  11.080   0.966 -18.620
  582    HE2  LYS  73           1HE      LYS  73   8.616   0.841 -18.774
  583    HE3  LYS  73           2HE      LYS  73   8.659   1.638 -20.352
  584    HZ1  LYS  73           3HZ      LYS  73   9.924  -0.265 -21.209
  585    HZ2  LYS  73           1HZ      LYS  73   8.503  -0.775 -20.590
  586    HZ3  LYS  73           2HZ      LYS  73   9.884  -1.005 -19.751
  587    H    TYR  74           H        TYR  74  11.429   4.543 -15.118
  588    HA   TYR  74           HA       TYR  74  14.102   5.796 -14.631
  589    HB2  TYR  74           1HB      TYR  74  11.431   6.468 -13.381
  590    HB3  TYR  74           2HB      TYR  74  12.899   6.597 -12.426
  591    HD1  TYR  74           1HD      TYR  74  11.215   7.913 -15.515
  592    HD2  TYR  74           2HD      TYR  74  14.467   8.340 -12.711
  593    HE1  TYR  74           1HE      TYR  74  11.922  10.005 -16.657
  594    HE2  TYR  74           2HE      TYR  74  15.190  10.422 -13.867
  595    HH   TYR  74           HH       TYR  74  14.861  11.810 -15.609
  596    H    SER  75           H        SER  75  15.433   4.517 -13.536
  597    HA   SER  75           HA       SER  75  14.485   1.944 -12.503
  598    HB2  SER  75           1HB      SER  75  17.294   3.098 -12.581
  599    HB3  SER  75           2HB      SER  75  16.849   1.425 -12.204
  600    HG   SER  75           HG       SER  75  16.651   2.811 -14.665
  601    H    ASP  76           H        ASP  76  14.868   4.979 -11.057
  602    HA   ASP  76           HA       ASP  76  14.528   3.786  -8.359
  603    HB2  ASP  76           1HB      ASP  76  16.460   6.039  -9.061
  604    HB3  ASP  76           2HB      ASP  76  15.910   5.675  -7.427
  605    H    VAL  77           H        VAL  77  12.738   4.585  -7.437
  606    HA   VAL  77           HA       VAL  77  11.062   6.413  -8.814
  607    HB   VAL  77           HB       VAL  77  10.313   4.634  -7.266
  608   HG11  VAL  77          1HG1      VAL  77  11.863   5.025  -5.357
  609   HG12  VAL  77          2HG1      VAL  77  10.984   6.528  -4.980
  610   HG13  VAL  77          3HG1      VAL  77  10.163   4.964  -4.879
  611   HG21  VAL  77          3HG2      VAL  77   8.790   6.448  -8.005
  612   HG22  VAL  77          1HG2      VAL  77   8.375   5.812  -6.404
  613   HG23  VAL  77          2HG2      VAL  77   9.203   7.374  -6.546
  614    H    LYS  78           H        LYS  78  13.336   7.063  -6.151
  615    HA   LYS  78           HA       LYS  78  12.507   9.706  -5.504
  616    HB2  LYS  78           1HB      LYS  78  15.307   8.489  -5.509
  617    HB3  LYS  78           2HB      LYS  78  14.883  10.040  -4.771
  618    HG2  LYS  78           1HG      LYS  78  13.262   8.904  -3.277
  619    HG3  LYS  78           2HG      LYS  78  13.714   7.335  -3.973
  620    HD2  LYS  78           1HD      LYS  78  16.065   7.695  -3.253
  621    HD3  LYS  78           2HD      LYS  78  15.611   9.227  -2.499
  622    HE2  LYS  78           1HE      LYS  78  14.459   6.493  -1.757
  623    HE3  LYS  78           2HE      LYS  78  15.812   7.263  -0.926
  624    HZ1  LYS  78           3HZ      LYS  78  14.331   9.107  -0.336
  625    HZ2  LYS  78           1HZ      LYS  78  13.750   7.698   0.241
  626    HZ3  LYS  78           2HZ      LYS  78  13.062   8.378  -1.070
  627    H    ASN  79           H        ASN  79  14.589   8.637  -8.170
  628    HA   ASN  79           HA       ASN  79  15.100  11.374  -9.102
  629    HB2  ASN  79           1HB      ASN  79  15.613   8.617 -10.329
  630    HB3  ASN  79           2HB      ASN  79  16.093  10.137 -11.080
  631   HD21  ASN  79          1HD2      ASN  79  18.062   8.341 -10.660
  632   HD22  ASN  79          2HD2      ASN  79  19.075   8.881  -9.329
  633    H    LEU  80           H        LEU  80  12.572   8.967  -9.704
  634    HA   LEU  80           HA       LEU  80  11.499  10.304 -12.024
  635    HB2  LEU  80           1HB      LEU  80  10.872   7.981 -11.409
  636    HB3  LEU  80           2HB      LEU  80  10.099   8.595  -9.938
  637    HG   LEU  80           HG       LEU  80   8.456   9.854 -11.236
  638   HD11  LEU  80          1HD1      LEU  80   9.736   8.555 -13.675
  639   HD12  LEU  80          2HD1      LEU  80   9.789  10.294 -13.297
  640   HD13  LEU  80          3HD1      LEU  80   8.251   9.531 -13.646
  641   HD21  LEU  80          3HD2      LEU  80   7.174   7.986 -12.068
  642   HD22  LEU  80          1HD2      LEU  80   8.033   7.473 -10.604
  643   HD23  LEU  80          2HD2      LEU  80   8.636   6.993 -12.212
  644    H    ILE  81           H        ILE  81  10.851  10.599  -8.480
  645    HA   ILE  81           HA       ILE  81   8.855  12.617  -8.649
  646    HB   ILE  81           HB       ILE  81  10.966  12.468  -6.472
  647   HG12  ILE  81          1HG1      ILE  81  10.256  10.286  -6.539
  648   HG13  ILE  81          2HG1      ILE  81   9.402  11.017  -5.222
  649   HG21  ILE  81          1HG2      ILE  81   9.131  13.368  -5.064
  650   HG22  ILE  81          2HG2      ILE  81   9.594  14.457  -6.381
  651   HG23  ILE  81          3HG2      ILE  81   8.104  13.490  -6.514
  652   HD11  ILE  81          3HD1      ILE  81   8.200  10.347  -7.939
  653   HD12  ILE  81          1HD1      ILE  81   7.878   9.547  -6.393
  654   HD13  ILE  81          2HD1      ILE  81   7.346  11.219  -6.645
  655    H    LYS  82           H        LYS  82  12.380  12.918  -8.353
  656    HA   LYS  82           HA       LYS  82  12.606  15.739  -8.516
  657    HB2  LYS  82           1HB      LYS  82  14.478  14.470  -7.774
  658    HB3  LYS  82           2HB      LYS  82  14.272  13.284  -9.046
  659    HG2  LYS  82           1HG      LYS  82  16.380  14.441  -9.191
  660    HG3  LYS  82           2HG      LYS  82  15.413  14.479 -10.655
  661    HD2  LYS  82           1HD      LYS  82  16.627  16.553 -10.182
  662    HD3  LYS  82           2HD      LYS  82  14.891  16.766 -10.380
  663    HE2  LYS  82           1HE      LYS  82  14.635  16.880  -7.893
  664    HE3  LYS  82           2HE      LYS  82  16.391  16.729  -7.723
  665    HZ1  LYS  82           3HZ      LYS  82  15.648  19.068  -7.679
  666    HZ2  LYS  82           1HZ      LYS  82  15.004  18.926  -9.184
  667    HZ3  LYS  82           2HZ      LYS  82  16.615  18.808  -8.976
  668    H    HIS  83           H        HIS  83  12.694  13.317 -11.199
  669    HA   HIS  83           HA       HIS  83  12.877  15.205 -13.311
  670    HB2  HIS  83           1HB      HIS  83  13.250  12.894 -13.793
  671    HB3  HIS  83           2HB      HIS  83  11.729  12.401 -13.068
  672    HD1  HIS  83           1HD      HIS  83  12.952  14.128 -16.288
  673    HD2  HIS  83           2HD      HIS  83   9.561  12.365 -14.541
  674    HE1  HIS  83           1HE      HIS  83  11.233  13.953 -18.148
  675    H    ILE  84           H        ILE  84   9.937  13.924 -11.710
  676    HA   ILE  84           HA       ILE  84   8.080  15.425 -13.278
  677    HB   ILE  84           HB       ILE  84   7.987  14.220 -10.511
  678   HG12  ILE  84          1HG1      ILE  84   6.421  13.522 -13.029
  679   HG13  ILE  84          2HG1      ILE  84   7.998  12.828 -12.674
  680   HG21  ILE  84          1HG2      ILE  84   5.523  14.690 -10.508
  681   HG22  ILE  84          2HG2      ILE  84   6.514  16.127 -10.336
  682   HG23  ILE  84          3HG2      ILE  84   5.764  15.753 -11.913
  683   HD11  ILE  84          3HD1      ILE  84   7.131  11.959 -10.507
  684   HD12  ILE  84          1HD1      ILE  84   5.502  12.496 -10.982
  685   HD13  ILE  84          2HD1      ILE  84   6.343  11.269 -11.945
  686    H    ARG  85           H        ARG  85   9.566  16.301 -10.124
  687    HA   ARG  85           HA       ARG  85   8.471  18.948  -9.983
  688    HB2  ARG  85           1HB      ARG  85  11.057  17.757  -8.860
  689    HB3  ARG  85           2HB      ARG  85  10.437  19.354  -8.428
  690    HG2  ARG  85           1HG      ARG  85   8.378  18.371  -7.549
  691    HG3  ARG  85           2HG      ARG  85   8.915  16.747  -7.975
  692    HD2  ARG  85           1HD      ARG  85  10.796  16.893  -6.461
  693    HD3  ARG  85           2HD      ARG  85  10.442  18.581  -6.086
  694    HE   ARG  85           HE       ARG  85   9.124  16.196  -5.013
  695   HH11  ARG  85          2HH1      ARG  85   8.693  19.653  -5.437
  696   HH12  ARG  85          1HH1      ARG  85   7.532  19.751  -4.142
  697   HH21  ARG  85          2HH2      ARG  85   7.628  16.399  -3.390
  698   HH22  ARG  85          1HH2      ARG  85   6.951  17.957  -3.024
  699    H    ASP  86           H        ASP  86  11.434  17.892 -11.649
  700    HA   ASP  86           HA       ASP  86  12.206  20.652 -12.239
  701    HB2  ASP  86           1HB      ASP  86  13.339  17.934 -12.949
  702    HB3  ASP  86           2HB      ASP  86  13.935  19.410 -13.694
  703    H    ALA  87           H        ALA  87  10.687  18.024 -14.146
  704    HA   ALA  87           HA       ALA  87  10.783  19.724 -16.577
  705    HB1  ALA  87           1HB      ALA  87  11.696  17.415 -16.607
  706    HB2  ALA  87           2HB      ALA  87  10.066  16.787 -16.260
  707    HB3  ALA  87           3HB      ALA  87  10.378  17.660 -17.769
  708    H    HIS  88           H        HIS  88   8.349  18.308 -14.401
  709    HA   HIS  88           HA       HIS  88   6.196  19.289 -16.220
  710    HB2  HIS  88           1HB      HIS  88   6.103  16.958 -14.312
  711    HB3  HIS  88           2HB      HIS  88   4.868  17.429 -15.469
  712    HD1  HIS  88           1HD      HIS  88   6.219  17.530 -18.186
  713    HD2  HIS  88           2HD      HIS  88   7.319  14.858 -15.138
  714    HE1  HIS  88           1HE      HIS  88   7.370  15.584 -19.351
  715    H    ASP  89           H        ASP  89   6.788  18.725 -13.040
  716    HA   ASP  89           HA       ASP  89   5.979  19.159 -11.004
  717    HB2  ASP  89           1HB      ASP  89   7.375  21.043 -11.433
  718    HB3  ASP  89           2HB      ASP  89   6.007  21.970 -12.029
  719    HA   PRO  90           HA       PRO  90   1.493  18.932 -11.424
  720    HB2  PRO  90           1HB      PRO  90   0.890  17.754  -9.036
  721    HB3  PRO  90           2HB      PRO  90   1.726  16.888 -10.357
  722    HG2  PRO  90           1HG      PRO  90   2.988  18.283  -7.967
  723    HG3  PRO  90           2HG      PRO  90   3.258  16.599  -8.528
  724    HD2  PRO  90           1HD      PRO  90   4.934  18.610  -9.257
  725    HD3  PRO  90           2HD      PRO  90   4.475  17.328 -10.420
  726    H    GLN  91           H        GLN  91  -0.464  19.527 -10.096
  727    HA   GLN  91           HA       GLN  91  -1.802  21.129  -9.283
  728    HB2  GLN  91           1HB      GLN  91   0.367  21.635  -7.226
  729    HB3  GLN  91           2HB      GLN  91  -1.330  22.118  -7.122
  730    HG2  GLN  91           1HG      GLN  91  -2.016  19.725  -7.201
  731    HG3  GLN  91           2HG      GLN  91  -0.316  19.246  -7.219
  732   HE21  GLN  91          1HE2      GLN  91  -1.558  18.087  -5.225
  733   HE22  GLN  91          2HE2      GLN  91  -1.283  18.921  -3.701
  734    H    ASP  92           H        ASP  92  -0.330  21.881 -11.505
  735    HA   ASP  92           HA       ASP  92   0.549  24.635 -11.388
  736    HB2  ASP  92           1HB      ASP  92   0.694  24.490 -13.762
  737    HB3  ASP  92           2HB      ASP  92   1.334  23.011 -13.074